T12 >> 1462227186.95250010 Initialization (0.00000s) started
T12 >> 1462227187.77491808 Set symmetry (0.00000s) started
T12 << 1462227187.77742195 Set symmetry (0.00251s) stopped
T12 >> 1462227187.79388595 TCI: Evaluate splines (0.00000s) started
T12 << 1462227191.67500806 TCI: Evaluate splines (3.88112s) stopped
T12 >> 1462227191.71154809 initialize (0.00000s) started
T12 << 1462227191.74186611 initialize (0.03032s) stopped
T12 >> 1462227191.87619710 Basic WFS set positions (0.00000s) started
T12 << 1462227191.95397806 Basic WFS set positions (0.07778s) stopped
T12 >> 1462227191.95400691 Basis functions set positions (0.00000s) started
T12 << 1462227193.45297289 Basis functions set positions (1.49897s) stopped
T12 >> 1462227193.45411205 TCI: Calculate S, T, P (0.00000s) started
T12 << 1462227207.27464700 TCI: Calculate S, T, P (13.82054s) stopped
T12 >> 1462227207.27480102 blocked summation (0.00000s) started
T12 << 1462227220.19361210 blocked summation (12.91881s) stopped
T12 >> 1462227220.20300388 Scalapack redistribute (0.00000s) started
T12 << 1462227225.58943391 Scalapack redistribute (5.38643s) stopped
T12 >> 1462227225.59062409 blocked summation (12.91887s) started
T12 << 1462227226.66222811 blocked summation (13.99048s) stopped
T12 >> 1462227226.67164302 Scalapack redistribute (5.38650s) started
T12 << 1462227226.87016106 Scalapack redistribute (5.58501s) stopped
T12 >> 1462227228.40358901 LCAO WFS Initialize (0.00000s) started
T12 >> 1462227229.31659508 Hamiltonian (0.00000s) started
T12 >> 1462227229.31662893 Initialize Hamiltonian (0.00000s) started
T12 << 1462227229.34097910 Initialize Hamiltonian (0.02435s) stopped
T12 >> 1462227229.34103107 vbar (0.00000s) started
T12 << 1462227229.37918901 vbar (0.03816s) stopped
T12 >> 1462227229.37928891 XC 3D grid (0.00000s) started
T12 >> 1462227229.84426999 van der Waals (0.00002s) started
T12 >> 1462227229.95599699 semilocal (0.00002s) started
T12 << 1462227235.76636410 semilocal (5.81038s) stopped
T12 >> 1462227235.84857202 redistribute (0.00001s) started
T12 << 1462227236.84529710 redistribute (0.99673s) stopped
T12 >> 1462227236.84534907 libvdwxc nonlocal (0.00000s) started
T12 << 1462227254.60656810 libvdwxc nonlocal (17.76122s) stopped
T12 >> 1462227254.60663891 redistribute (0.99677s) started
T12 << 1462227256.33342195 redistribute (2.72355s) stopped
T12 << 1462227256.33451295 van der Waals (26.49026s) stopped
T12 << 1462227256.79287696 XC 3D grid (27.41359s) stopped
T12 >> 1462227256.79292393 Poisson (0.00000s) started
T12 << 1462227289.52705503 Poisson (32.73413s) stopped
T12 >> 1462227289.52714705 Hartree integrate/restrict (0.00000s) started
T12 << 1462227289.56637502 Hartree integrate/restrict (0.03923s) stopped
T12 >> 1462227289.56645107 Hartree integrate/restrict (0.03928s) started
T12 << 1462227289.92837310 Hartree integrate/restrict (0.40120s) stopped
T12 >> 1462227289.92872810 Atomic (0.00000s) started
T12 >> 1462227289.94039106 XC Correction (0.00001s) started
T12 << 1462227289.94041109 XC Correction (0.00003s) stopped
T12 << 1462227292.39448595 Atomic (2.46576s) stopped
T12 >> 1462227292.39455509 Communicate (0.00000s) started
T12 << 1462227299.04240108 Communicate (6.64785s) stopped
T12 << 1462227299.04242706 Hamiltonian (69.72584s) stopped
T12 << 1462227299.04243994 LCAO WFS Initialize (70.63885s) stopped
T12 << 1462227299.05393291 Initialization (112.10143s) stopped
T12 >> 1462227299.07817793 SCF-cycle (0.00000s) started
T12 >> 1462227299.07820296 LCAO eigensolver (0.00000s) started
T12 >> 1462227299.07821488 Potential matrix (0.00000s) started
T12 << 1462227300.05778503 Potential matrix (0.97957s) stopped
T12 >> 1462227300.05787492 DistributedAtomicCorrection (0.00000s) started
T12 << 1462227300.43659210 DistributedAtomicCorrection (0.37872s) stopped
T12 >> 1462227300.43663907 Distribute overlap matrix (0.00000s) started
T12 >> 1462227300.43666005 blocked summation (0.00000s) started
T12 << 1462227304.11135888 blocked summation (3.67470s) stopped
T12 >> 1462227304.12062597 Scalapack redistribute (0.00000s) started
T12 << 1462227307.02215409 Scalapack redistribute (2.90153s) stopped
T12 << 1462227307.02224708 Distribute overlap matrix (6.58561s) stopped
T12 >> 1462227307.02727604 Blacs Orbital Layouts (0.00000s) started
T12 >> 1462227307.03595400 General diagonalize (0.00001s) started
T12 << 1462227361.00548291 General diagonalize (53.96953s) stopped
T12 >> 1462227361.00553608 Redistribute coefs (0.00000s) started
T12 << 1462227361.01354599 Redistribute coefs (0.00801s) stopped
T12 >> 1462227361.01361108 Send coefs to domains (0.00000s) started
T12 << 1462227361.15800405 Send coefs to domains (0.14440s) stopped
T12 << 1462227361.15824103 Blacs Orbital Layouts (54.13097s) stopped
T12 >> 1462227361.15826893 Calculate projections (0.00000s) started
T12 << 1462227362.90422702 Calculate projections (1.74596s) stopped
T12 << 1462227362.90439105 LCAO eigensolver (63.82619s) stopped
T12 >> 1462227366.04644489 Density (0.00000s) started
T12 >> 1462227366.04645991 Pseudo density (0.00000s) started
T12 >> 1462227366.04847193 Calculate density matrix (0.00000s) started
T12 << 1462227378.07785296 Calculate density matrix (12.02938s) stopped
T12 >> 1462227378.07790089 Construct density (0.00000s) started
T12 << 1462227378.82528090 Construct density (0.74738s) stopped
T12 >> 1462227378.83919191 Symmetrize density (0.00001s) started
T12 << 1462227378.83925891 Symmetrize density (0.00007s) stopped
T12 << 1462227378.84139395 Pseudo density (12.79493s) stopped
T12 >> 1462227378.84145308 Atomic density matrices (0.00000s) started
T12 << 1462227381.97781610 Atomic density matrices (3.13637s) stopped
T12 >> 1462227381.97784805 Multipole moments (0.00000s) started
T12 << 1462227381.98609591 Multipole moments (0.00825s) stopped
T12 >> 1462227381.98611903 Normalize (0.00000s) started
T12 << 1462227381.99222207 Normalize (0.00610s) stopped
T12 >> 1462227381.99228692 Mix (0.00000s) started
T12 << 1462227382.34838605 Mix (0.35610s) stopped
T12 << 1462227382.34842992 Density (16.30199s) stopped
T12 >> 1462227382.34845304 Hamiltonian (0.00000s) started
T12 >> 1462227382.34846711 vbar (0.00000s) started
T12 << 1462227382.38228202 vbar (0.03382s) stopped
T12 >> 1462227382.38245392 XC 3D grid (0.00000s) started
T12 >> 1462227382.87521410 van der Waals (0.00001s) started
T12 >> 1462227382.98760796 semilocal (0.00001s) started
T12 << 1462227388.74927092 semilocal (5.76167s) stopped
T12 >> 1462227388.82271409 redistribute (0.00000s) started
T12 << 1462227389.81640291 redistribute (0.99369s) stopped
T12 >> 1462227389.81644392 libvdwxc nonlocal (0.00000s) started
T12 << 1462227407.94127989 libvdwxc nonlocal (18.12484s) stopped
T12 >> 1462227407.94134307 redistribute (0.99373s) started
T12 << 1462227409.69408798 redistribute (2.74647s) stopped
T12 << 1462227409.69526196 van der Waals (26.82006s) stopped
T12 << 1462227410.15604591 XC 3D grid (27.77360s) stopped
T12 >> 1462227410.15610194 Poisson (0.00000s) started
T12 << 1462227423.27696609 Poisson (13.12087s) stopped
T12 >> 1462227423.27703691 Hartree integrate/restrict (0.00000s) started
T12 << 1462227423.31892109 Hartree integrate/restrict (0.04189s) stopped
T12 >> 1462227423.31896210 Hartree integrate/restrict (0.04191s) started
T12 << 1462227423.63292289 Hartree integrate/restrict (0.35587s) stopped
T12 >> 1462227423.63331509 Atomic (0.00000s) started
T12 >> 1462227423.63501406 XC Correction (0.00000s) started
T12 << 1462227423.63502908 XC Correction (0.00002s) stopped
T12 << 1462227426.03040600 Atomic (2.39709s) stopped
T12 >> 1462227426.03057790 Communicate (0.00000s) started
T12 << 1462227432.71129894 Communicate (6.68072s) stopped
T12 << 1462227432.71132588 Hamiltonian (50.36287s) stopped
T12 >> 1462227432.71134710 LCAO eigensolver (63.82621s) started
T12 >> 1462227432.71135902 Potential matrix (0.97962s) started
T12 << 1462227433.67218399 Potential matrix (1.94045s) stopped
T12 >> 1462227433.67225504 DistributedAtomicCorrection (0.37876s) started
T12 << 1462227434.05488491 DistributedAtomicCorrection (0.76139s) stopped
T12 >> 1462227434.05493212 Distribute overlap matrix (6.58562s) started
T12 >> 1462227434.05495405 blocked summation (3.67475s) started
T12 << 1462227437.83906794 blocked summation (7.45887s) stopped
T12 >> 1462227437.84842491 Scalapack redistribute (2.90160s) started
T12 << 1462227440.67011499 Scalapack redistribute (5.72329s) stopped
T12 << 1462227440.67019796 Distribute overlap matrix (13.20089s) stopped
T12 >> 1462227440.67430997 Blacs Orbital Layouts (54.13099s) started
T12 >> 1462227440.68253708 General diagonalize (53.96958s) started
T12 << 1462227497.27082610 General diagonalize (110.55787s) stopped
T12 >> 1462227497.27087402 Redistribute coefs (0.00806s) started
T12 << 1462227497.27853894 Redistribute coefs (0.01573s) stopped
T12 >> 1462227497.27861094 Send coefs to domains (0.14443s) started
T12 << 1462227497.39568996 Send coefs to domains (0.26151s) stopped
T12 << 1462227497.39585900 Blacs Orbital Layouts (110.85253s) stopped
T12 >> 1462227497.39588690 Calculate projections (1.74601s) started
T12 << 1462227499.14277101 Calculate projections (3.49289s) stopped
T12 << 1462227499.14308095 LCAO eigensolver (130.25794s) stopped
T12 >> 1462227502.33041501 Density (16.30200s) started
T12 >> 1462227502.33042908 Pseudo density (12.79498s) started
T12 >> 1462227502.33230710 Calculate density matrix (12.02942s) started
T12 << 1462227514.10386992 Calculate density matrix (23.80098s) stopped
T12 >> 1462227514.10391808 Construct density (0.74743s) started
T12 << 1462227514.85352302 Construct density (1.49704s) stopped
T12 >> 1462227514.86771989 Symmetrize density (0.00009s) started
T12 << 1462227514.86778307 Symmetrize density (0.00015s) stopped
T12 << 1462227514.86993694 Pseudo density (25.33449s) stopped
T12 >> 1462227514.86999607 Atomic density matrices (3.13639s) started
T12 << 1462227517.93720102 Atomic density matrices (6.20359s) stopped
T12 >> 1462227517.93723392 Multipole moments (0.00827s) started
T12 << 1462227517.94530106 Multipole moments (0.01633s) stopped
T12 >> 1462227517.94532490 Normalize (0.00615s) started
T12 << 1462227517.95145011 Normalize (0.01228s) stopped
T12 >> 1462227517.95149899 Mix (0.35614s) started
T12 << 1462227518.33873296 Mix (0.74338s) stopped
T12 << 1462227518.33879805 Density (32.31038s) stopped
T12 >> 1462227518.33882594 Hamiltonian (50.36288s) started
T12 >> 1462227518.33884311 vbar (0.03392s) started
T12 << 1462227518.37451100 vbar (0.06958s) stopped
T12 >> 1462227518.37466002 XC 3D grid (27.77364s) started
T12 >> 1462227518.84010506 van der Waals (26.82009s) started
T12 >> 1462227518.95477390 semilocal (5.76176s) started
T12 << 1462227524.73218703 semilocal (11.53917s) stopped
T12 >> 1462227524.80768299 redistribute (2.74652s) started
T12 << 1462227525.82220888 redistribute (3.76104s) stopped
T12 >> 1462227525.82224989 libvdwxc nonlocal (18.12489s) started
T12 << 1462227544.10208106 libvdwxc nonlocal (36.40472s) stopped
T12 >> 1462227544.10214496 redistribute (3.76107s) started
T12 << 1462227545.77117205 redistribute (5.43010s) stopped
T12 << 1462227545.77229595 van der Waals (53.75228s) stopped
T12 << 1462227546.24223900 XC 3D grid (55.64122s) stopped
T12 >> 1462227546.24228191 Poisson (13.12092s) started
T12 << 1462227564.57737088 Poisson (31.45601s) stopped
T12 >> 1462227564.57744408 Hartree integrate/restrict (0.35592s) started
T12 << 1462227564.62190294 Hartree integrate/restrict (0.40038s) stopped
T12 >> 1462227564.62194610 Hartree integrate/restrict (0.40041s) started
T12 << 1462227564.93943310 Hartree integrate/restrict (0.71790s) stopped
T12 >> 1462227564.93979001 Atomic (2.39711s) started
T12 >> 1462227564.94147491 XC Correction (0.00003s) started
T12 << 1462227564.94149399 XC Correction (0.00005s) stopped
T12 << 1462227567.35868502 Atomic (4.81601s) stopped
T12 >> 1462227567.35884809 Communicate (6.68074s) started
T12 << 1462227573.98883390 Communicate (13.31073s) stopped
T12 << 1462227573.98886395 Hamiltonian (106.01292s) stopped
T12 >> 1462227573.98888612 LCAO eigensolver (130.25796s) started
T12 >> 1462227573.98889899 Potential matrix (1.94049s) started
T12 << 1462227574.95746994 Potential matrix (2.90906s) stopped
T12 >> 1462227574.95754290 DistributedAtomicCorrection (0.76143s) started
T12 << 1462227575.34383106 DistributedAtomicCorrection (1.14771s) stopped
T12 >> 1462227575.34388089 Distribute overlap matrix (13.20090s) started
T12 >> 1462227575.34390402 blocked summation (7.45892s) started
T12 << 1462227579.16437292 blocked summation (11.27939s) stopped
T12 >> 1462227579.17411709 Scalapack redistribute (5.72335s) started
T12 << 1462227582.01534605 Scalapack redistribute (8.56458s) stopped
T12 << 1462227582.01543999 Distribute overlap matrix (19.87246s) stopped
T12 >> 1462227582.02003908 Blacs Orbital Layouts (110.85255s) started
T12 >> 1462227582.02811098 General diagonalize (110.55791s) started
T12 << 1462227634.62389898 General diagonalize (163.15370s) stopped
T12 >> 1462227634.62394810 Redistribute coefs (0.01579s) started
T12 << 1462227634.63136101 Redistribute coefs (0.02320s) stopped
T12 >> 1462227634.63144708 Send coefs to domains (0.26154s) started
T12 << 1462227634.83795595 Send coefs to domains (0.46805s) stopped
T12 << 1462227634.83825994 Blacs Orbital Layouts (163.67077s) stopped
T12 >> 1462227634.83829188 Calculate projections (3.49294s) started
T12 << 1462227636.58778405 Calculate projections (5.24244s) stopped
T12 << 1462227636.58817410 LCAO eigensolver (192.85725s) stopped
T12 >> 1462227639.76442790 Density (32.31039s) started
T12 >> 1462227639.76444411 Pseudo density (25.33454s) started
T12 >> 1462227639.76681995 Calculate density matrix (23.80102s) started
T12 << 1462227651.53062797 Calculate density matrix (35.56483s) stopped
T12 >> 1462227651.53068304 Construct density (1.49709s) started
T12 << 1462227652.27797890 Construct density (2.24438s) stopped
T12 >> 1462227652.29459906 Symmetrize density (0.00017s) started
T12 << 1462227652.29467010 Symmetrize density (0.00024s) stopped
T12 << 1462227652.29694200 Pseudo density (37.86704s) stopped
T12 >> 1462227652.29700899 Atomic density matrices (6.20362s) started
T12 << 1462227655.39028811 Atomic density matrices (9.29690s) stopped
T12 >> 1462227655.39032412 Multipole moments (0.01635s) started
T12 << 1462227655.39850593 Multipole moments (0.02453s) stopped
T12 >> 1462227655.39853001 Normalize (0.01231s) started
T12 << 1462227655.40532708 Normalize (0.01911s) stopped
T12 >> 1462227655.40537596 Mix (0.74344s) started
T12 << 1462227655.78978992 Mix (1.12786s) stopped
T12 << 1462227655.78984404 Density (48.33581s) stopped
T12 >> 1462227655.78986907 Hamiltonian (106.01293s) started
T12 >> 1462227655.78988504 vbar (0.06967s) started
T12 << 1462227655.81780291 vbar (0.09759s) stopped
T12 >> 1462227655.81800103 XC 3D grid (55.64126s) started
T12 >> 1462227656.28889608 van der Waals (53.75231s) started
T12 >> 1462227656.40063405 semilocal (11.53927s) started
T12 << 1462227662.22335100 semilocal (17.36198s) stopped
T12 >> 1462227662.29963708 redistribute (5.43014s) started
T12 << 1462227663.27871394 redistribute (6.40921s) stopped
T12 >> 1462227663.27876806 libvdwxc nonlocal (36.40477s) started
T12 << 1462227681.19473600 libvdwxc nonlocal (54.32074s) stopped
T12 >> 1462227681.19484210 redistribute (6.40925s) started
T12 << 1462227683.24588108 redistribute (8.46029s) stopped
T12 << 1462227683.24693489 van der Waals (80.71035s) stopped
T12 << 1462227683.71167302 XC 3D grid (83.53493s) stopped
T12 >> 1462227683.71172190 Poisson (31.45606s) started
T12 << 1462227697.80667305 Poisson (45.55101s) stopped
T12 >> 1462227697.80676293 Hartree integrate/restrict (0.71793s) started
T12 << 1462227697.84584594 Hartree integrate/restrict (0.75701s) stopped
T12 >> 1462227697.84590006 Hartree integrate/restrict (0.75704s) started
T12 << 1462227698.17084503 Hartree integrate/restrict (1.08199s) stopped
T12 >> 1462227698.17127299 Atomic (4.81603s) started
T12 >> 1462227698.17307711 XC Correction (0.00006s) started
T12 << 1462227698.17310691 XC Correction (0.00009s) stopped
T12 << 1462227700.60063601 Atomic (7.24539s) stopped
T12 >> 1462227700.60075402 Communicate (13.31075s) started
T12 << 1462227707.22565103 Communicate (19.93564s) stopped
T12 << 1462227707.22568488 Hamiltonian (157.44875s) stopped
T12 >> 1462227707.22570801 LCAO eigensolver (192.85727s) started
T12 >> 1462227707.22572088 Potential matrix (2.90910s) started
T12 << 1462227708.19811511 Potential matrix (3.88150s) stopped
T12 >> 1462227708.19821000 DistributedAtomicCorrection (1.14775s) started
T12 << 1462227708.57917690 DistributedAtomicCorrection (1.52872s) stopped
T12 >> 1462227708.57922602 Distribute overlap matrix (19.87247s) started
T12 >> 1462227708.57925010 blocked summation (11.27943s) started
T12 << 1462227712.34741402 blocked summation (15.04760s) stopped
T12 >> 1462227712.35679412 Scalapack redistribute (8.56465s) started
T12 << 1462227715.24781489 Scalapack redistribute (11.45567s) stopped
T12 << 1462227715.24791408 Distribute overlap matrix (26.54116s) stopped
T12 >> 1462227715.25238395 Blacs Orbital Layouts (163.67080s) started
T12 >> 1462227715.26087499 General diagonalize (163.15374s) started
T12 << 1462227769.74658799 General diagonalize (217.63945s) stopped
T12 >> 1462227769.74663901 Redistribute coefs (0.02327s) started
T12 << 1462227769.75407600 Redistribute coefs (0.03071s) stopped
T12 >> 1462227769.75412512 Send coefs to domains (0.46809s) started
T12 << 1462227769.85619211 Send coefs to domains (0.57016s) stopped
T12 << 1462227769.85637903 Blacs Orbital Layouts (218.27479s) stopped
T12 >> 1462227769.85640812 Calculate projections (5.24249s) started
T12 << 1462227771.60544610 Calculate projections (6.99153s) stopped
T12 << 1462227771.60578203 LCAO eigensolver (257.23734s) stopped
T12 >> 1462227774.75510812 Density (48.33582s) started
T12 >> 1462227774.75512290 Pseudo density (37.86709s) started
T12 >> 1462227774.75748110 Calculate density matrix (35.56486s) started
T12 << 1462227786.57198906 Calculate density matrix (47.37937s) stopped
T12 >> 1462227786.57204509 Construct density (2.24444s) started
T12 << 1462227787.31857800 Construct density (2.99097s) stopped
T12 >> 1462227787.33627892 Symmetrize density (0.00026s) started
T12 << 1462227787.33634901 Symmetrize density (0.00033s) stopped
T12 << 1462227787.33862495 Pseudo density (50.45059s) stopped
T12 >> 1462227787.33869410 Atomic density matrices (9.29693s) started
T12 << 1462227790.49646807 Atomic density matrices (12.45470s) stopped
T12 >> 1462227790.49650311 Multipole moments (0.02455s) started
T12 << 1462227790.50439596 Multipole moments (0.03244s) stopped
T12 >> 1462227790.50442100 Normalize (0.01914s) started
T12 << 1462227790.51123810 Normalize (0.02596s) stopped
T12 >> 1462227790.51128793 Mix (1.12791s) started
T12 << 1462227790.90713406 Mix (1.52376s) stopped
T12 << 1462227790.90719295 Density (64.48791s) stopped
T12 >> 1462227790.90722108 Hamiltonian (157.44876s) started
T12 >> 1462227790.90723896 vbar (0.09769s) started
T12 << 1462227790.92725897 vbar (0.11771s) stopped
T12 >> 1462227790.92737293 XC 3D grid (83.53497s) started
T12 >> 1462227791.43862605 van der Waals (80.71038s) started
T12 >> 1462227791.54855299 semilocal (17.36207s) started
T12 << 1462227797.33611298 semilocal (23.14963s) stopped
T12 >> 1462227797.41465902 redistribute (8.46036s) started
T12 << 1462227798.40287495 redistribute (9.44857s) stopped
T12 >> 1462227798.40292501 libvdwxc nonlocal (54.32080s) started
T12 << 1462227816.32897496 libvdwxc nonlocal (72.24685s) stopped
T12 >> 1462227816.32905793 redistribute (9.44861s) started
T12 << 1462227818.32963490 redistribute (11.44919s) stopped
T12 << 1462227818.33076596 van der Waals (107.60252s) stopped
T12 << 1462227818.79858088 XC 3D grid (111.40617s) stopped
T12 >> 1462227818.79863310 Poisson (45.55108s) started
T12 << 1462227836.15406799 Poisson (62.90651s) stopped
T12 >> 1462227836.15416908 Hartree integrate/restrict (1.08203s) started
T12 << 1462227836.19204712 Hartree integrate/restrict (1.11991s) stopped
T12 >> 1462227836.19212198 Hartree integrate/restrict (1.11996s) started
T12 << 1462227836.51812291 Hartree integrate/restrict (1.44596s) stopped
T12 >> 1462227836.51846290 Atomic (7.24541s) started
T12 >> 1462227836.52003908 XC Correction (0.00011s) started
T12 << 1462227836.52005410 XC Correction (0.00012s) stopped
T12 << 1462227838.96300697 Atomic (9.68996s) stopped
T12 >> 1462227838.96311998 Communicate (19.93566s) started
T12 << 1462227845.56775188 Communicate (26.54030s) stopped
T12 << 1462227845.56778097 Hamiltonian (212.10932s) stopped
T12 >> 1462227845.56780100 LCAO eigensolver (257.23736s) started
T12 >> 1462227845.56781411 Potential matrix (3.88155s) started
T12 << 1462227846.54160500 Potential matrix (4.85534s) stopped
T12 >> 1462227846.54169989 DistributedAtomicCorrection (1.52876s) started
T12 << 1462227846.92628908 DistributedAtomicCorrection (1.91335s) stopped
T12 >> 1462227846.92633700 Distribute overlap matrix (26.54117s) started
T12 >> 1462227846.92636108 blocked summation (15.04764s) started
T12 << 1462227850.69266796 blocked summation (18.81394s) stopped
T12 >> 1462227850.70249295 Scalapack redistribute (11.45574s) started
T12 << 1462227853.64334989 Scalapack redistribute (14.39660s) stopped
T12 << 1462227853.64340901 Distribute overlap matrix (33.25824s) stopped
T12 >> 1462227853.64814305 Blacs Orbital Layouts (218.27481s) started
T12 >> 1462227853.65648293 General diagonalize (217.63949s) started
T12 << 1462227905.74927402 General diagonalize (269.73228s) stopped
T12 >> 1462227905.74933410 Redistribute coefs (0.03075s) started
T12 << 1462227905.75657511 Redistribute coefs (0.03799s) stopped
T12 >> 1462227905.75662804 Send coefs to domains (0.57020s) started
T12 << 1462227905.86579490 Send coefs to domains (0.67937s) stopped
T12 << 1462227905.86598301 Blacs Orbital Layouts (270.49265s) stopped
T12 >> 1462227905.86601305 Calculate projections (6.99159s) started
T12 << 1462227907.61402798 Calculate projections (8.73960s) stopped
T12 << 1462227907.61421800 LCAO eigensolver (319.28377s) stopped
T12 >> 1462227910.75991893 Density (64.48792s) started
T12 >> 1462227910.75993395 Pseudo density (50.45065s) started
T12 >> 1462227910.76233912 Calculate density matrix (47.37941s) started
T12 << 1462227922.65753102 Calculate density matrix (59.27461s) stopped
T12 >> 1462227922.65758610 Construct density (2.99103s) started
T12 << 1462227923.40390205 Construct density (3.73735s) stopped
T12 >> 1462227923.42140889 Symmetrize density (0.00035s) started
T12 << 1462227923.42147899 Symmetrize density (0.00042s) stopped
T12 << 1462227923.42375588 Pseudo density (63.11447s) stopped
T12 >> 1462227923.42382789 Atomic density matrices (12.45473s) started
T12 << 1462227926.64818096 Atomic density matrices (15.67908s) stopped
T12 >> 1462227926.64821696 Multipole moments (0.03246s) started
T12 << 1462227926.65613699 Multipole moments (0.04038s) stopped
T12 >> 1462227926.65616202 Normalize (0.02600s) started
T12 << 1462227926.66266894 Normalize (0.03250s) stopped
T12 >> 1462227926.66272092 Mix (1.52381s) started
T12 << 1462227927.11677289 Mix (1.97787s) stopped
T12 << 1462227927.11683702 Density (80.84484s) stopped
T12 >> 1462227927.11686611 Hamiltonian (212.10933s) started
T12 >> 1462227927.11688209 vbar (0.11778s) started
T12 << 1462227927.13948298 vbar (0.14038s) stopped
T12 >> 1462227927.13956189 XC 3D grid (111.40621s) started
T12 >> 1462227927.66348505 van der Waals (107.60255s) started
T12 >> 1462227927.77289009 semilocal (23.14972s) started
T12 << 1462227933.53580594 semilocal (28.91263s) stopped
T12 >> 1462227933.61223602 redistribute (11.44923s) started
T12 << 1462227934.60552001 redistribute (12.44251s) stopped
T12 >> 1462227934.60557103 libvdwxc nonlocal (72.24691s) started
T12 << 1462227952.55137300 libvdwxc nonlocal (90.19271s) stopped
T12 >> 1462227952.55145693 redistribute (12.44255s) started
T12 << 1462227954.68395710 redistribute (14.57505s) stopped
T12 << 1462227954.68504691 van der Waals (134.62411s) stopped
T12 << 1462227955.14726400 XC 3D grid (139.41392s) stopped
T12 >> 1462227955.14731503 Poisson (62.90659s) started
T12 << 1462227974.77449393 Poisson (82.53377s) stopped
T12 >> 1462227974.77457905 Hartree integrate/restrict (1.44599s) started
T12 << 1462227974.81220007 Hartree integrate/restrict (1.48361s) stopped
T12 >> 1462227974.81229210 Hartree integrate/restrict (1.48368s) started
T12 << 1462227975.14244390 Hartree integrate/restrict (1.81383s) stopped
T12 >> 1462227975.14277411 Atomic (9.68998s) started
T12 >> 1462227975.14428210 XC Correction (0.00013s) started
T12 << 1462227975.14430308 XC Correction (0.00016s) stopped
T12 << 1462227977.58646202 Atomic (12.13367s) stopped
T12 >> 1462227977.58657098 Communicate (26.54032s) started
T12 << 1462227984.21669793 Communicate (33.17044s) stopped
T12 << 1462227984.21672511 Hamiltonian (269.20919s) stopped
T12 >> 1462227984.21674609 LCAO eigensolver (319.28379s) started
T12 >> 1462227984.21675801 Potential matrix (4.85539s) started
T12 << 1462227985.19130707 Potential matrix (5.82994s) stopped
T12 >> 1462227985.19138503 DistributedAtomicCorrection (1.91339s) started
T12 << 1462227985.57684302 DistributedAtomicCorrection (2.29885s) stopped
T12 >> 1462227985.57689095 Distribute overlap matrix (33.25825s) started
T12 >> 1462227985.57691407 blocked summation (18.81398s) started
T12 << 1462227989.34670901 blocked summation (22.58377s) stopped
T12 >> 1462227989.35696101 Scalapack redistribute (14.39664s) started
T12 << 1462227992.22042704 Scalapack redistribute (17.26011s) stopped
T12 << 1462227992.22051907 Distribute overlap matrix (39.90188s) stopped
T12 >> 1462227992.22544599 Blacs Orbital Layouts (270.49267s) started
T12 >> 1462227992.23324609 General diagonalize (269.73233s) started
T12 << 1462228043.90467596 General diagonalize (321.40376s) stopped
T12 >> 1462228043.90473008 Redistribute coefs (0.03803s) started
T12 << 1462228043.91230297 Redistribute coefs (0.04560s) stopped
T12 >> 1462228043.91235399 Send coefs to domains (0.67941s) started
T12 << 1462228044.00918698 Send coefs to domains (0.77624s) stopped
T12 << 1462228044.00935292 Blacs Orbital Layouts (322.27657s) stopped
T12 >> 1462228044.00938797 Calculate projections (8.73965s) started
T12 << 1462228045.75733209 Calculate projections (10.48760s) stopped
T12 << 1462228045.75752997 LCAO eigensolver (380.82458s) stopped
T12 >> 1462228048.90321493 Density (80.84485s) started
T12 >> 1462228048.90323091 Pseudo density (63.11452s) started
T12 >> 1462228048.90611911 Calculate density matrix (59.27464s) started
T12 << 1462228060.72629905 Calculate density matrix (71.09482s) stopped
T12 >> 1462228060.72635698 Construct density (3.73741s) started
T12 << 1462228061.47014093 Construct density (4.48119s) stopped
T12 >> 1462228061.48659706 Symmetrize density (0.00044s) started
T12 << 1462228061.48666501 Symmetrize density (0.00051s) stopped
T12 << 1462228061.48894000 Pseudo density (75.70023s) stopped
T12 >> 1462228061.48900795 Atomic density matrices (15.67911s) started
T12 << 1462228064.65886211 Atomic density matrices (18.84896s) stopped
T12 >> 1462228064.65889907 Multipole moments (0.04039s) started
T12 << 1462228064.66683602 Multipole moments (0.04833s) stopped
T12 >> 1462228064.66686010 Normalize (0.03254s) started
T12 << 1462228064.67359304 Normalize (0.03927s) stopped
T12 >> 1462228064.67363691 Mix (1.97793s) started
T12 << 1462228065.14411902 Mix (2.44841s) stopped
T12 << 1462228065.14415312 Density (97.08579s) stopped
T12 >> 1462228065.14418006 Hamiltonian (269.20920s) started
T12 >> 1462228065.14419603 vbar (0.14042s) started
T12 << 1462228065.17445993 vbar (0.17069s) stopped
T12 >> 1462228065.17457700 XC 3D grid (139.41396s) started
T12 >> 1462228065.65040588 van der Waals (134.62415s) started
T12 >> 1462228065.76442003 semilocal (28.91273s) started
T12 << 1462228071.56802392 semilocal (34.71633s) stopped
T12 >> 1462228071.64196396 redistribute (14.57512s) started
T12 << 1462228072.60953212 redistribute (15.54269s) stopped
T12 >> 1462228072.60957503 libvdwxc nonlocal (90.19278s) started
T12 << 1462228090.69062805 libvdwxc nonlocal (108.27383s) stopped
T12 >> 1462228090.69069099 redistribute (15.54272s) started
T12 << 1462228092.32831693 redistribute (17.18035s) stopped
T12 << 1462228092.32943797 van der Waals (161.30318s) stopped
T12 << 1462228092.79007101 XC 3D grid (167.02945s) stopped
T12 >> 1462228092.79012489 Poisson (82.53383s) started
T12 << 1462228111.68421102 Poisson (101.42792s) stopped
T12 >> 1462228111.68431497 Hartree integrate/restrict (1.81386s) started
T12 << 1462228111.72789001 Hartree integrate/restrict (1.85744s) stopped
T12 >> 1462228111.72794604 Hartree integrate/restrict (1.85748s) started
T12 << 1462228112.04926205 Hartree integrate/restrict (2.17879s) stopped
T12 >> 1462228112.04965305 Atomic (12.13369s) started
T12 >> 1462228112.05125093 XC Correction (0.00017s) started
T12 << 1462228112.05126691 XC Correction (0.00018s) stopped
T12 << 1462228114.49785900 Atomic (14.58190s) stopped
T12 >> 1462228114.49798107 Communicate (33.17046s) started
T12 << 1462228121.14682698 Communicate (39.81931s) stopped
T12 << 1462228121.14685607 Hamiltonian (325.21188s) stopped
T12 >> 1462228121.14687800 LCAO eigensolver (380.82460s) started
T12 >> 1462228121.14689207 Potential matrix (5.82999s) started
T12 << 1462228122.12004590 Potential matrix (6.80314s) stopped
T12 >> 1462228122.12011790 DistributedAtomicCorrection (2.29888s) started
T12 << 1462228122.50838709 DistributedAtomicCorrection (2.68715s) stopped
T12 >> 1462228122.50843406 Distribute overlap matrix (39.90189s) started
T12 >> 1462228122.50845599 blocked summation (22.58381s) started
T12 << 1462228126.31304693 blocked summation (26.38840s) stopped
T12 >> 1462228126.32299590 Scalapack redistribute (17.26017s) started
T12 << 1462228129.14432693 Scalapack redistribute (20.08151s) stopped
T12 << 1462228129.14441109 Distribute overlap matrix (46.53787s) stopped
T12 >> 1462228129.14906693 Blacs Orbital Layouts (322.27659s) started
T12 >> 1462228129.15724802 General diagonalize (321.40380s) started
T12 << 1462228185.08418298 General diagonalize (377.33074s) stopped
T12 >> 1462228185.08422995 Redistribute coefs (0.04564s) started
T12 << 1462228185.09203911 Redistribute coefs (0.05345s) stopped
T12 >> 1462228185.09210801 Send coefs to domains (0.77628s) started
T12 << 1462228185.28702307 Send coefs to domains (0.97119s) stopped
T12 << 1462228185.28720808 Blacs Orbital Layouts (378.41474s) stopped
T12 >> 1462228185.28723598 Calculate projections (10.48766s) started
T12 << 1462228187.03586102 Calculate projections (12.23628s) stopped
T12 << 1462228187.03619909 LCAO eigensolver (446.71392s) stopped
T12 >> 1462228190.21898699 Density (97.08580s) started
T12 >> 1462228190.21900296 Pseudo density (75.70029s) started
T12 >> 1462228190.22133493 Calculate density matrix (71.09486s) started
T12 << 1462228203.07302904 Calculate density matrix (83.94656s) stopped
T12 >> 1462228203.07307792 Construct density (4.48125s) started
T12 << 1462228203.82173610 Construct density (5.22991s) stopped
T12 >> 1462228203.83811212 Symmetrize density (0.00053s) started
T12 << 1462228203.83817196 Symmetrize density (0.00059s) stopped
T12 << 1462228203.84030390 Pseudo density (89.32159s) stopped
T12 >> 1462228203.84036398 Atomic density matrices (18.84899s) started
T12 << 1462228207.04436803 Atomic density matrices (22.05299s) stopped
T12 >> 1462228207.04440093 Multipole moments (0.04834s) started
T12 << 1462228207.05289888 Multipole moments (0.05684s) stopped
T12 >> 1462228207.05292296 Normalize (0.03931s) started
T12 << 1462228207.05943108 Normalize (0.04581s) stopped
T12 >> 1462228207.05950999 Mix (2.44844s) started
T12 << 1462228207.50351310 Mix (2.89245s) stopped
T12 << 1462228207.50357699 Density (114.37039s) stopped
T12 >> 1462228207.50360703 Hamiltonian (325.21189s) started
T12 >> 1462228207.50362206 vbar (0.17076s) started
T12 << 1462228207.52554607 vbar (0.19268s) stopped
T12 >> 1462228207.52561688 XC 3D grid (167.02950s) started
T12 >> 1462228208.06056809 van der Waals (161.30320s) started
T12 >> 1462228208.17354894 semilocal (34.71640s) started
T12 << 1462228214.00420690 semilocal (40.54705s) stopped
T12 >> 1462228214.07772112 redistribute (17.18038s) started
T12 << 1462228215.01407099 redistribute (18.11673s) stopped
T12 >> 1462228215.01413608 libvdwxc nonlocal (108.27388s) started
T12 << 1462228233.53143311 libvdwxc nonlocal (126.79118s) stopped
T12 >> 1462228233.53149390 redistribute (18.11678s) started
T12 << 1462228235.27129102 redistribute (19.85658s) stopped
T12 << 1462228235.27230406 van der Waals (188.51494s) stopped
T12 << 1462228235.76484799 XC 3D grid (195.26873s) stopped
T12 >> 1462228235.76489305 Poisson (101.42799s) started
T12 << 1462228251.48293900 Poisson (117.14604s) stopped
T12 >> 1462228251.48301196 Hartree integrate/restrict (2.17884s) started
T12 << 1462228251.52878904 Hartree integrate/restrict (2.22462s) stopped
T12 >> 1462228251.52885103 Hartree integrate/restrict (2.22466s) started
T12 << 1462228251.86413288 Hartree integrate/restrict (2.55994s) stopped
T12 >> 1462228251.86452889 Atomic (14.58192s) started
T12 >> 1462228251.86625409 XC Correction (0.00020s) started
T12 << 1462228251.86628103 XC Correction (0.00022s) stopped
T12 << 1462228254.29298902 Atomic (17.01038s) stopped
T12 >> 1462228254.29310203 Communicate (39.81932s) started
T12 << 1462228260.95798492 Communicate (46.48421s) stopped
T12 << 1462228260.95802093 Hamiltonian (378.66630s) stopped
T12 >> 1462228260.95804596 LCAO eigensolver (446.71394s) started
T12 >> 1462228260.95805907 Potential matrix (6.80318s) started
T12 << 1462228261.93348408 Potential matrix (7.77861s) stopped
T12 >> 1462228261.93355489 DistributedAtomicCorrection (2.68719s) started
T12 << 1462228262.31950092 DistributedAtomicCorrection (3.07314s) stopped
T12 >> 1462228262.31955004 Distribute overlap matrix (46.53788s) started
T12 >> 1462228262.31957102 blocked summation (26.38845s) started
T12 << 1462228266.12351990 blocked summation (30.19240s) stopped
T12 >> 1462228266.13340807 Scalapack redistribute (20.08157s) started
T12 << 1462228268.90941405 Scalapack redistribute (22.85757s) stopped
T12 << 1462228268.90948105 Distribute overlap matrix (53.12781s) stopped
T12 >> 1462228268.91370106 Blacs Orbital Layouts (378.41475s) started
T12 >> 1462228268.92187595 General diagonalize (377.33078s) started
T12 << 1462228324.06521010 General diagonalize (432.47411s) stopped
T12 >> 1462228324.06528592 Redistribute coefs (0.05351s) started
T12 << 1462228324.07357407 Redistribute coefs (0.06179s) stopped
T12 >> 1462228324.07364392 Send coefs to domains (0.97122s) started
T12 << 1462228324.30833793 Send coefs to domains (1.20592s) stopped
T12 << 1462228324.30860209 Blacs Orbital Layouts (433.80965s) stopped
T12 >> 1462228324.30863190 Calculate projections (12.23633s) started
T12 << 1462228326.05568099 Calculate projections (13.98338s) stopped
T12 << 1462228326.05601501 LCAO eigensolver (511.81191s) stopped
T12 >> 1462228329.24024010 Density (114.37040s) started
T12 >> 1462228329.24025512 Pseudo density (89.32164s) started
T12 >> 1462228329.24254990 Calculate density matrix (83.94659s) started
T12 << 1462228340.96630597 Calculate density matrix (95.67035s) stopped
T12 >> 1462228340.96635699 Construct density (5.22996s) started
T12 << 1462228341.71523905 Construct density (5.97884s) stopped
T12 >> 1462228341.72910309 Symmetrize density (0.00061s) started
T12 << 1462228341.72916102 Symmetrize density (0.00066s) stopped
T12 << 1462228341.73130798 Pseudo density (101.81269s) stopped
T12 >> 1462228341.73136806 Atomic density matrices (22.05302s) started
T12 << 1462228344.96175504 Atomic density matrices (25.28341s) stopped
T12 >> 1462228344.96179008 Multipole moments (0.05686s) started
T12 << 1462228344.97021890 Multipole moments (0.06529s) stopped
T12 >> 1462228344.97024202 Normalize (0.04587s) started
T12 << 1462228344.97668600 Normalize (0.05232s) stopped
T12 >> 1462228344.97678494 Mix (2.89252s) started
T12 << 1462228345.41873789 Mix (3.33447s) stopped
T12 << 1462228345.41879392 Density (130.54896s) stopped
T12 >> 1462228345.41881895 Hamiltonian (378.66632s) started
T12 >> 1462228345.41883397 vbar (0.19272s) started
T12 << 1462228345.44104505 vbar (0.21493s) stopped
T12 >> 1462228345.44109797 XC 3D grid (195.26876s) started
T12 >> 1462228345.94171906 van der Waals (188.51496s) started
T12 >> 1462228346.05518103 semilocal (40.54712s) started
T12 << 1462228351.86515689 semilocal (46.35709s) stopped
T12 >> 1462228351.93782592 redistribute (19.85661s) started
T12 << 1462228352.93054295 redistribute (20.84933s) stopped
T12 >> 1462228352.93058801 libvdwxc nonlocal (126.79122s) started
T12 << 1462228371.21724200 libvdwxc nonlocal (145.07788s) stopped
T12 >> 1462228371.21730995 redistribute (20.84936s) started
T12 << 1462228374.11136794 redistribute (23.74342s) stopped
T12 << 1462228374.11241293 van der Waals (216.68565s) stopped
T12 << 1462228374.57417107 XC 3D grid (224.40183s) stopped
T12 >> 1462228374.57420897 Poisson (117.14609s) started
T12 << 1462228391.60820198 Poisson (134.18008s) stopped
T12 >> 1462228391.60827899 Hartree integrate/restrict (2.55998s) started
T12 << 1462228391.65260196 Hartree integrate/restrict (2.60430s) stopped
T12 >> 1462228391.65264392 Hartree integrate/restrict (2.60433s) started
T12 << 1462228391.96755505 Hartree integrate/restrict (2.91924s) stopped
T12 >> 1462228391.96796989 Atomic (17.01040s) started
T12 >> 1462228391.96959710 XC Correction (0.00023s) started
T12 << 1462228391.96961188 XC Correction (0.00025s) stopped
T12 << 1462228394.41106296 Atomic (19.45350s) stopped
T12 >> 1462228394.41116190 Communicate (46.48423s) started
T12 << 1462228401.05349493 Communicate (53.12656s) stopped
T12 << 1462228401.05352902 Hamiltonian (434.30103s) stopped
T12 >> 1462228401.05355191 LCAO eigensolver (511.81192s) started
T12 >> 1462228401.05356503 Potential matrix (7.77865s) started
T12 << 1462228402.02873611 Potential matrix (8.75382s) stopped
T12 >> 1462228402.02881098 DistributedAtomicCorrection (3.07317s) started
T12 << 1462228402.42070198 DistributedAtomicCorrection (3.46507s) stopped
T12 >> 1462228402.42074895 Distribute overlap matrix (53.12783s) started
T12 >> 1462228402.42076993 blocked summation (30.19246s) started
T12 << 1462228406.24180102 blocked summation (34.01349s) stopped
T12 >> 1462228406.25144005 Scalapack redistribute (22.85762s) started
T12 << 1462228408.96626806 Scalapack redistribute (25.57245s) stopped
T12 << 1462228408.96632099 Distribute overlap matrix (59.67340s) stopped
T12 >> 1462228408.97085190 Blacs Orbital Layouts (433.80967s) started
T12 >> 1462228408.97890592 General diagonalize (432.47417s) started
T12 << 1462228459.72402191 General diagonalize (483.21929s) stopped
T12 >> 1462228459.72409201 Redistribute coefs (0.06185s) started
T12 << 1462228459.73188210 Redistribute coefs (0.06964s) stopped
T12 >> 1462228459.73195696 Send coefs to domains (1.20595s) started
T12 << 1462228459.96752310 Send coefs to domains (1.44152s) stopped
T12 << 1462228459.96772003 Blacs Orbital Layouts (484.80654s) stopped
T12 >> 1462228459.96774912 Calculate projections (13.98343s) started
T12 << 1462228461.71500111 Calculate projections (15.73068s) stopped
T12 << 1462228461.71532202 LCAO eigensolver (572.47369s) stopped
T12 >> 1462228464.86673093 Density (130.54897s) started
T12 >> 1462228464.86674595 Pseudo density (101.81274s) started
T12 >> 1462228464.86892605 Calculate density matrix (95.67039s) started
T12 << 1462228476.61773396 Calculate density matrix (107.41920s) stopped
T12 >> 1462228476.61778688 Construct density (5.97889s) started
T12 << 1462228477.36389589 Construct density (6.72500s) stopped
T12 >> 1462228477.37721992 Symmetrize density (0.00068s) started
T12 << 1462228477.37727904 Symmetrize density (0.00074s) stopped
T12 << 1462228477.37942910 Pseudo density (114.32542s) stopped
T12 >> 1462228477.37948895 Atomic density matrices (25.28343s) started
T12 << 1462228480.58343601 Atomic density matrices (28.48738s) stopped
T12 >> 1462228480.58346796 Multipole moments (0.06530s) started
T12 << 1462228480.59188604 Multipole moments (0.07372s) stopped
T12 >> 1462228480.59190989 Normalize (0.05239s) started
T12 << 1462228480.59810400 Normalize (0.05859s) stopped
T12 >> 1462228480.59818101 Mix (3.33452s) started
T12 << 1462228481.02368808 Mix (3.76003s) stopped
T12 << 1462228481.02373505 Density (146.70598s) stopped
T12 >> 1462228481.02376294 Hamiltonian (434.30104s) started
T12 >> 1462228481.02378392 vbar (0.21496s) started
T12 << 1462228481.06179595 vbar (0.25297s) stopped
T12 >> 1462228481.06186795 XC 3D grid (224.40186s) started
T12 >> 1462228481.52341604 van der Waals (216.68568s) started
T12 >> 1462228481.63795495 semilocal (46.35717s) started
T12 << 1462228487.44607997 semilocal (52.16530s) stopped
T12 >> 1462228487.52169108 redistribute (23.74346s) started
T12 << 1462228488.49933791 redistribute (24.72111s) stopped
T12 >> 1462228488.49938202 libvdwxc nonlocal (145.07793s) started
T12 << 1462228507.01243496 libvdwxc nonlocal (163.59098s) stopped
T12 >> 1462228507.01249790 redistribute (24.72114s) started
T12 << 1462228508.79448891 redistribute (26.50313s) stopped
T12 << 1462228508.79558301 van der Waals (243.95785s) stopped
T12 << 1462228509.25545502 XC 3D grid (252.59545s) stopped
T12 >> 1462228509.25549507 Poisson (134.18014s) started
T12 << 1462228526.25388288 Poisson (151.17853s) stopped
T12 >> 1462228526.25395799 Hartree integrate/restrict (2.91929s) started
T12 << 1462228526.29566693 Hartree integrate/restrict (2.96100s) stopped
T12 >> 1462228526.29570603 Hartree integrate/restrict (2.96103s) started
T12 << 1462228526.62304902 Hartree integrate/restrict (3.28837s) stopped
T12 >> 1462228526.62344790 Atomic (19.45352s) started
T12 >> 1462228526.62544990 XC Correction (0.00026s) started
T12 << 1462228526.62549090 XC Correction (0.00030s) stopped
T12 << 1462228529.05669498 Atomic (21.88677s) stopped
T12 >> 1462228529.05678391 Communicate (53.12658s) started
T12 << 1462228535.73146391 Communicate (59.80126s) stopped
T12 << 1462228535.73148894 Hamiltonian (489.00876s) stopped
T12 >> 1462228535.73150897 LCAO eigensolver (572.47371s) started
T12 >> 1462228535.73152208 Potential matrix (8.75386s) started
T12 << 1462228536.69476509 Potential matrix (9.71710s) stopped
T12 >> 1462228536.69483805 DistributedAtomicCorrection (3.46510s) started
T12 << 1462228537.07453299 DistributedAtomicCorrection (3.84480s) stopped
T12 >> 1462228537.07457900 Distribute overlap matrix (59.67341s) started
T12 >> 1462228537.07459903 blocked summation (34.01353s) started
T12 << 1462228540.86731911 blocked summation (37.80625s) stopped
T12 >> 1462228540.87701511 Scalapack redistribute (25.57249s) started
T12 << 1462228543.63971210 Scalapack redistribute (28.33518s) stopped
T12 << 1462228543.63979197 Distribute overlap matrix (66.23862s) stopped
T12 >> 1462228543.64393401 Blacs Orbital Layouts (484.80656s) started
T12 >> 1462228543.65194511 General diagonalize (483.21935s) started
T12 << 1462228595.55556893 General diagonalize (535.12297s) stopped
T12 >> 1462228595.55561304 Redistribute coefs (0.06970s) started
T12 << 1462228595.56329489 Redistribute coefs (0.07738s) stopped
T12 >> 1462228595.56335998 Send coefs to domains (1.44155s) started
T12 << 1462228595.76384211 Send coefs to domains (1.64203s) stopped
T12 << 1462228595.76407790 Blacs Orbital Layouts (536.92670s) stopped
T12 >> 1462228595.76410794 Calculate projections (15.73073s) started
T12 << 1462228597.51301694 Calculate projections (17.47964s) stopped
T12 << 1462228597.51335311 LCAO eigensolver (634.25556s) stopped
T12 >> 1462228600.66095495 Density (146.70599s) started
T12 >> 1462228600.66097212 Pseudo density (114.32547s) started
T12 >> 1462228600.66291404 Calculate density matrix (107.41923s) started
T12 << 1462228612.53854609 Calculate density matrix (119.29486s) stopped
T12 >> 1462228612.53859401 Construct density (6.72505s) started
T12 << 1462228613.28725100 Construct density (7.47371s) stopped
T12 >> 1462228613.30213594 Symmetrize density (0.00076s) started
T12 << 1462228613.30219507 Symmetrize density (0.00082s) stopped
T12 << 1462228613.30433202 Pseudo density (126.96883s) stopped
T12 >> 1462228613.30438900 Atomic density matrices (28.48740s) started
T12 << 1462228616.50060391 Atomic density matrices (31.68362s) stopped
T12 >> 1462228616.50063705 Multipole moments (0.07374s) started
T12 << 1462228616.50860810 Multipole moments (0.08171s) stopped
T12 >> 1462228616.50863194 Normalize (0.05865s) started
T12 << 1462228616.51476312 Normalize (0.06478s) stopped
T12 >> 1462228616.51481509 Mix (3.76008s) started
T12 << 1462228616.94104290 Mix (4.18631s) stopped
T12 << 1462228616.94109607 Density (162.98613s) stopped
T12 >> 1462228616.94112206 Hamiltonian (489.00877s) started
T12 >> 1462228616.94113708 vbar (0.25301s) started
T12 << 1462228616.96571398 vbar (0.27759s) stopped
T12 >> 1462228616.96585107 XC 3D grid (252.59548s) started
T12 >> 1462228617.47008801 van der Waals (243.95787s) started
T12 >> 1462228617.58536911 semilocal (52.16537s) started
T12 << 1462228623.34896708 semilocal (57.92897s) stopped
T12 >> 1462228623.42157102 redistribute (26.50318s) started
T12 << 1462228624.44230008 redistribute (27.52391s) stopped
T12 >> 1462228624.44234300 libvdwxc nonlocal (163.59103s) started
T12 << 1462228643.15082693 libvdwxc nonlocal (182.29951s) stopped
T12 >> 1462228643.15088892 redistribute (27.52394s) started
T12 << 1462228644.83611202 redistribute (29.20917s) stopped
T12 << 1462228644.83737707 van der Waals (271.32516s) stopped
T12 << 1462228645.30057502 XC 3D grid (280.93020s) stopped
T12 >> 1462228645.30061293 Poisson (151.17858s) started
T12 << 1462228661.09363699 Poisson (166.97160s) stopped
T12 >> 1462228661.09371305 Hartree integrate/restrict (3.28840s) started
T12 << 1462228661.14270806 Hartree integrate/restrict (3.33740s) stopped
T12 >> 1462228661.14275002 Hartree integrate/restrict (3.33742s) started
T12 << 1462228661.45764709 Hartree integrate/restrict (3.65232s) stopped
T12 >> 1462228661.45803809 Atomic (21.88679s) started
T12 >> 1462228661.45966196 XC Correction (0.00032s) started
T12 << 1462228661.45969105 XC Correction (0.00035s) stopped
T12 << 1462228663.89692402 Atomic (24.32567s) stopped
T12 >> 1462228663.89700508 Communicate (59.80128s) started
T12 << 1462228670.54317594 Communicate (66.44745s) stopped
T12 << 1462228670.54320788 Hamiltonian (542.61086s) stopped
T12 >> 1462228670.54323196 LCAO eigensolver (634.25557s) started
T12 >> 1462228670.54324389 Potential matrix (9.71715s) started
T12 << 1462228671.52070594 Potential matrix (10.69461s) stopped
T12 >> 1462228671.52079391 DistributedAtomicCorrection (3.84484s) started
T12 << 1462228671.90699291 DistributedAtomicCorrection (4.23103s) stopped
T12 >> 1462228671.90704107 Distribute overlap matrix (66.23864s) started
T12 >> 1462228671.90706205 blocked summation (37.80630s) started
T12 << 1462228675.69036603 blocked summation (41.58960s) stopped
T12 >> 1462228675.70030403 Scalapack redistribute (28.33524s) started
T12 << 1462228678.48661089 Scalapack redistribute (31.12155s) stopped
T12 << 1462228678.48666191 Distribute overlap matrix (72.81826s) stopped
T12 >> 1462228678.49176502 Blacs Orbital Layouts (536.92672s) started
T12 >> 1462228678.50002289 General diagonalize (535.12301s) started
T12 << 1462228732.10095596 General diagonalize (588.72394s) stopped
T12 >> 1462228732.10100293 Redistribute coefs (0.07743s) started
T12 << 1462228732.10824990 Redistribute coefs (0.08468s) stopped
T12 >> 1462228732.10831690 Send coefs to domains (1.64206s) started
T12 << 1462228732.36448097 Send coefs to domains (1.89823s) stopped
T12 << 1462228732.36472702 Blacs Orbital Layouts (590.79968s) stopped
T12 >> 1462228732.36475611 Calculate projections (17.47969s) started
T12 << 1462228734.11359596 Calculate projections (19.22853s) stopped
T12 << 1462228734.11392999 LCAO eigensolver (697.82627s) stopped
T12 >> 1462228737.25593996 Density (162.98614s) started
T12 >> 1462228737.25595593 Pseudo density (126.96888s) started
T12 >> 1462228737.25775695 Calculate density matrix (119.29490s) started
T12 << 1462228749.09353590 Calculate density matrix (131.13068s) stopped
T12 >> 1462228749.09358191 Construct density (7.47375s) started
T12 << 1462228749.84174609 Construct density (8.22192s) stopped
T12 >> 1462228749.85676408 Symmetrize density (0.00083s) started
T12 << 1462228749.85682988 Symmetrize density (0.00090s) stopped
T12 << 1462228749.85898399 Pseudo density (139.57190s) stopped
T12 >> 1462228749.85903907 Atomic density matrices (31.68364s) started
T12 << 1462228752.96919894 Atomic density matrices (34.79380s) stopped
T12 >> 1462228752.96923208 Multipole moments (0.08173s) started
T12 << 1462228752.97761202 Multipole moments (0.09011s) stopped
T12 >> 1462228752.97763705 Normalize (0.06482s) started
T12 << 1462228752.98370290 Normalize (0.07088s) stopped
T12 >> 1462228752.98377490 Mix (4.18636s) started
T12 << 1462228753.42864799 Mix (4.63123s) stopped
T12 << 1462228753.42869401 Density (179.15890s) stopped
T12 >> 1462228753.42875910 Hamiltonian (542.61087s) started
T12 >> 1462228753.42877698 vbar (0.27768s) started
T12 << 1462228753.45988107 vbar (0.30878s) stopped
T12 >> 1462228753.46007395 XC 3D grid (280.93024s) started
T12 >> 1462228753.93033504 van der Waals (271.32519s) started
T12 >> 1462228754.04389811 semilocal (57.92908s) started
T12 << 1462228759.88884592 semilocal (63.77402s) stopped
T12 >> 1462228759.96389389 redistribute (29.20921s) started
T12 << 1462228760.90552711 redistribute (30.15084s) stopped
T12 >> 1462228760.90557194 libvdwxc nonlocal (182.29956s) started
T12 << 1462228779.54468298 libvdwxc nonlocal (200.93867s) stopped
T12 >> 1462228779.54474592 redistribute (30.15087s) started
T12 << 1462228781.22200298 redistribute (31.82813s) stopped
T12 << 1462228781.22307491 van der Waals (298.61793s) stopped
T12 << 1462228781.68833995 XC 3D grid (309.15850s) stopped
T12 >> 1462228781.68840289 Poisson (166.97166s) started
T12 << 1462228793.34110904 Poisson (178.62436s) stopped
T12 >> 1462228793.34117389 Hartree integrate/restrict (3.65236s) started
T12 << 1462228793.38996506 Hartree integrate/restrict (3.70115s) stopped
T12 >> 1462228793.39004707 Hartree integrate/restrict (3.70121s) started
T12 << 1462228793.69894004 Hartree integrate/restrict (4.01010s) stopped
T12 >> 1462228793.69928098 Atomic (24.32570s) started
T12 >> 1462228793.70074511 XC Correction (0.00036s) started
T12 << 1462228793.70075989 XC Correction (0.00038s) stopped
T12 << 1462228796.14771605 Atomic (26.77413s) stopped
T12 >> 1462228796.14779091 Communicate (66.44747s) started
T12 << 1462228802.81154895 Communicate (73.11123s) stopped
T12 << 1462228802.81157994 Hamiltonian (591.99369s) stopped
T12 >> 1462228802.81160307 LCAO eigensolver (697.82629s) started
T12 >> 1462228802.81161594 Potential matrix (10.69466s) started
T12 << 1462228803.78015709 Potential matrix (11.66320s) stopped
T12 >> 1462228803.78023696 DistributedAtomicCorrection (4.23107s) started
T12 << 1462228804.16273189 DistributedAtomicCorrection (4.61357s) stopped
T12 >> 1462228804.16278005 Distribute overlap matrix (72.81827s) started
T12 >> 1462228804.16280794 blocked summation (41.58965s) started
T12 << 1462228807.92526889 blocked summation (45.35211s) stopped
T12 >> 1462228807.93464899 Scalapack redistribute (31.12158s) started
T12 << 1462228810.74519706 Scalapack redistribute (33.93213s) stopped
T12 << 1462228810.74530911 Distribute overlap matrix (79.40080s) stopped
T12 >> 1462228810.75024295 Blacs Orbital Layouts (590.79970s) started
T12 >> 1462228810.75808692 General diagonalize (588.72398s) started
T12 << 1462228860.53212094 General diagonalize (638.49801s) stopped
T12 >> 1462228860.53216696 Redistribute coefs (0.08473s) started
T12 << 1462228860.54001403 Redistribute coefs (0.09257s) stopped
T12 >> 1462228860.54005599 Send coefs to domains (1.89826s) started
T12 << 1462228860.72932911 Send coefs to domains (2.08753s) stopped
T12 << 1462228860.72955489 Blacs Orbital Layouts (640.77901s) stopped
T12 >> 1462228860.72958398 Calculate projections (19.22858s) started
T12 << 1462228862.47638988 Calculate projections (20.97539s) stopped
T12 << 1462228862.47661209 LCAO eigensolver (757.49130s) stopped
T12 >> 1462228865.62184405 Density (179.15894s) started
T12 >> 1462228865.62185788 Pseudo density (139.57195s) started
T12 >> 1462228865.62371492 Calculate density matrix (131.13071s) started
T12 << 1462228877.45531511 Calculate density matrix (142.96231s) stopped
T12 >> 1462228877.45536304 Construct density (8.22197s) started
T12 << 1462228878.20198989 Construct density (8.96860s) stopped
T12 >> 1462228878.21611094 Symmetrize density (0.00091s) started
T12 << 1462228878.21616912 Symmetrize density (0.00097s) stopped
T12 << 1462228878.21830106 Pseudo density (152.16839s) stopped
T12 >> 1462228878.21835804 Atomic density matrices (34.79383s) started
T12 << 1462228881.34810805 Atomic density matrices (37.92358s) stopped
T12 >> 1462228881.34814000 Multipole moments (0.09012s) started
T12 << 1462228881.35608196 Multipole moments (0.09807s) stopped
T12 >> 1462228881.35610604 Normalize (0.07094s) started
T12 << 1462228881.36230993 Normalize (0.07714s) stopped
T12 >> 1462228881.36238408 Mix (4.63128s) started
T12 << 1462228881.85497403 Mix (5.12387s) stopped
T12 << 1462228881.85500407 Density (195.39210s) stopped
T12 >> 1462228881.85502911 Hamiltonian (591.99371s) started
T12 >> 1462228881.85504389 vbar (0.30888s) started
T12 << 1462228881.87853599 vbar (0.33237s) stopped
T12 >> 1462228881.87859511 XC 3D grid (309.15856s) started
T12 >> 1462228882.41706896 van der Waals (298.61797s) started
T12 >> 1462228882.53198099 semilocal (63.77408s) started
T12 << 1462228888.32268405 semilocal (69.56479s) stopped
T12 >> 1462228888.40111208 redistribute (31.82817s) started
T12 << 1462228889.36474609 redistribute (32.79180s) stopped
T12 >> 1462228889.36479402 libvdwxc nonlocal (200.93872s) started
T12 << 1462228907.86563206 libvdwxc nonlocal (219.43956s) stopped
T12 >> 1462228907.86569810 redistribute (32.79184s) started
T12 << 1462228909.54512000 redistribute (34.47126s) stopped
T12 << 1462228909.54618692 van der Waals (325.74709s) stopped
T12 << 1462228910.01944590 XC 3D grid (337.29941s) stopped
T12 >> 1462228910.01948690 Poisson (178.62441s) started
T12 << 1462228921.51338601 Poisson (190.11831s) stopped
T12 >> 1462228921.51345801 Hartree integrate/restrict (4.01014s) started
T12 << 1462228921.56241894 Hartree integrate/restrict (4.05910s) stopped
T12 >> 1462228921.56246591 Hartree integrate/restrict (4.05913s) started
T12 << 1462228921.87238503 Hartree integrate/restrict (4.36905s) stopped
T12 >> 1462228921.87273407 Atomic (26.77415s) started
T12 >> 1462228921.87429905 XC Correction (0.00039s) started
T12 << 1462228921.87431407 XC Correction (0.00040s) stopped
T12 << 1462228924.31712008 Atomic (29.21854s) stopped
T12 >> 1462228924.31720090 Communicate (73.11125s) started
T12 << 1462228930.98335004 Communicate (79.77740s) stopped
T12 << 1462228930.98338199 Hamiltonian (641.12206s) stopped
T12 >> 1462228930.98340392 LCAO eigensolver (757.49132s) started
T12 >> 1462228930.98341703 Potential matrix (11.66324s) started
T12 << 1462228931.94748497 Potential matrix (12.62731s) stopped
T12 >> 1462228931.94757509 DistributedAtomicCorrection (4.61360s) started
T12 << 1462228932.32939601 DistributedAtomicCorrection (4.99542s) stopped
T12 >> 1462228932.32944202 Distribute overlap matrix (79.40081s) started
T12 >> 1462228932.32946205 blocked summation (45.35215s) started
T12 << 1462228936.10250592 blocked summation (49.12520s) stopped
T12 >> 1462228936.11163306 Scalapack redistribute (33.93221s) started
T12 << 1462228938.95981193 Scalapack redistribute (36.78039s) stopped
T12 << 1462228938.95989704 Distribute overlap matrix (86.03127s) stopped
T12 >> 1462228938.96476293 Blacs Orbital Layouts (640.77903s) started
T12 >> 1462228938.97292900 General diagonalize (638.49805s) started
T12 << 1462228991.99407411 General diagonalize (691.51920s) stopped
T12 >> 1462228991.99412107 Redistribute coefs (0.09261s) started
T12 << 1462228992.00148201 Redistribute coefs (0.09997s) stopped
T12 >> 1462228992.00155091 Send coefs to domains (2.08757s) started
T12 << 1462228992.08401489 Send coefs to domains (2.17003s) stopped
T12 << 1462228992.08417797 Blacs Orbital Layouts (693.89845s) stopped
T12 >> 1462228992.08420706 Calculate projections (20.97544s) started
T12 << 1462228993.83039689 Calculate projections (22.72163s) stopped
T12 << 1462228993.83058095 LCAO eigensolver (820.33849s) stopped
T12 >> 1462228996.98035908 Density (195.39212s) started
T12 >> 1462228996.98037410 Pseudo density (152.16844s) started
T12 >> 1462228996.98238611 Calculate density matrix (142.96235s) started
T12 << 1462229008.76965189 Calculate density matrix (154.74961s) stopped
T12 >> 1462229008.76970100 Construct density (8.96865s) started
T12 << 1462229009.51688290 Construct density (9.71583s) stopped
T12 >> 1462229009.53086400 Symmetrize density (0.00099s) started
T12 << 1462229009.53092289 Symmetrize density (0.00105s) stopped
T12 << 1462229009.53305888 Pseudo density (164.72112s) stopped
T12 >> 1462229009.53311491 Atomic density matrices (37.92360s) started
T12 << 1462229012.75647402 Atomic density matrices (41.14696s) stopped
T12 >> 1462229012.75652003 Multipole moments (0.09808s) started
T12 << 1462229012.76486206 Multipole moments (0.10642s) stopped
T12 >> 1462229012.76488709 Normalize (0.07720s) started
T12 << 1462229012.77103996 Normalize (0.08335s) stopped
T12 >> 1462229012.77108502 Mix (5.12390s) started
T12 << 1462229013.18625402 Mix (5.53906s) stopped
T12 << 1462229013.18630791 Density (211.59807s) stopped
T12 >> 1462229013.18633389 Hamiltonian (641.12207s) started
T12 >> 1462229013.18634892 vbar (0.33240s) started
T12 << 1462229013.20633888 vbar (0.35239s) stopped
T12 >> 1462229013.20642805 XC 3D grid (337.29944s) started
T12 >> 1462229013.71228004 van der Waals (325.74712s) started
T12 >> 1462229013.82869196 semilocal (69.56488s) started
T12 << 1462229019.58676791 semilocal (75.32295s) stopped
T12 >> 1462229019.66090608 redistribute (34.47130s) started
T12 << 1462229020.68904305 redistribute (35.49944s) stopped
T12 >> 1462229020.68909001 libvdwxc nonlocal (219.43961s) started
T12 << 1462229039.23886395 libvdwxc nonlocal (237.98938s) stopped
T12 >> 1462229039.23890591 redistribute (35.49947s) started
T12 << 1462229040.89826608 redistribute (37.15883s) stopped
T12 << 1462229040.89934802 van der Waals (352.93419s) stopped
T12 << 1462229041.35972309 XC 3D grid (365.45273s) stopped
T12 >> 1462229041.35976291 Poisson (190.11836s) started
T12 << 1462229049.92371702 Poisson (198.68232s) stopped
T12 >> 1462229049.92378306 Hartree integrate/restrict (4.36908s) started
T12 << 1462229049.97234607 Hartree integrate/restrict (4.41764s) stopped
T12 >> 1462229049.97238994 Hartree integrate/restrict (4.41767s) started
T12 << 1462229050.28205991 Hartree integrate/restrict (4.72734s) stopped
T12 >> 1462229050.28244591 Atomic (29.21856s) started
T12 >> 1462229050.28404188 XC Correction (0.00041s) started
T12 << 1462229050.28405809 XC Correction (0.00043s) stopped
T12 << 1462229052.73491096 Atomic (31.67103s) stopped
T12 >> 1462229052.73499298 Communicate (79.77742s) started
T12 << 1462229059.38955212 Communicate (86.43198s) stopped
T12 << 1462229059.38958311 Hamiltonian (687.32532s) stopped
T12 >> 1462229059.38960695 LCAO eigensolver (820.33851s) started
T12 >> 1462229059.38962007 Potential matrix (12.62736s) started
T12 << 1462229060.35235596 Potential matrix (13.59010s) stopped
T12 >> 1462229060.35244799 DistributedAtomicCorrection (4.99546s) started
T12 << 1462229060.73645806 DistributedAtomicCorrection (5.37947s) stopped
T12 >> 1462229060.73650503 Distribute overlap matrix (86.03128s) started
T12 >> 1462229060.73652506 blocked summation (49.12523s) started
T12 << 1462229064.52420497 blocked summation (52.91291s) stopped
T12 >> 1462229064.53305507 Scalapack redistribute (36.78045s) started
T12 << 1462229067.32148290 Scalapack redistribute (39.56888s) stopped
T12 << 1462229067.32156610 Distribute overlap matrix (92.61634s) stopped
T12 >> 1462229067.32586694 Blacs Orbital Layouts (693.89847s) started
T12 >> 1462229067.33409595 General diagonalize (691.51924s) started
T12 << 1462229119.94240904 General diagonalize (744.12755s) stopped
T12 >> 1462229119.94247389 Redistribute coefs (0.10002s) started
T12 << 1462229119.95059705 Redistribute coefs (0.10814s) stopped
T12 >> 1462229119.95064092 Send coefs to domains (2.17006s) started
T12 << 1462229120.04077601 Send coefs to domains (2.26020s) stopped
T12 << 1462229120.04096198 Blacs Orbital Layouts (746.61356s) stopped
T12 >> 1462229120.04099011 Calculate projections (22.72168s) started
T12 << 1462229121.78731704 Calculate projections (24.46801s) stopped
T12 << 1462229121.78749800 LCAO eigensolver (882.73640s) stopped
T12 >> 1462229124.96636391 Density (211.59808s) started
T12 >> 1462229124.96637988 Pseudo density (164.72117s) started
T12 >> 1462229124.96853304 Calculate density matrix (154.74964s) started
T12 << 1462229136.74262094 Calculate density matrix (166.52373s) stopped
T12 >> 1462229136.74267101 Construct density (9.71588s) started
T12 << 1462229137.49030495 Construct density (10.46352s) stopped
T12 >> 1462229137.50518990 Symmetrize density (0.00106s) started
T12 << 1462229137.50524902 Symmetrize density (0.00112s) stopped
T12 << 1462229137.50735998 Pseudo density (177.26215s) stopped
T12 >> 1462229137.50741696 Atomic density matrices (41.14700s) started
T12 << 1462229140.59870005 Atomic density matrices (44.23828s) stopped
T12 >> 1462229140.59873390 Multipole moments (0.10644s) started
T12 << 1462229140.60707211 Multipole moments (0.11478s) stopped
T12 >> 1462229140.60709596 Normalize (0.08339s) started
T12 << 1462229140.61322904 Normalize (0.08952s) stopped
T12 >> 1462229140.61330390 Mix (5.53912s) started
T12 << 1462229141.06595206 Mix (5.99177s) stopped
T12 << 1462229141.06600308 Density (227.69772s) stopped
T12 >> 1462229141.06602907 Hamiltonian (687.32533s) started
T12 >> 1462229141.06604409 vbar (0.35245s) started
T12 << 1462229141.08788896 vbar (0.37429s) stopped
T12 >> 1462229141.08795404 XC 3D grid (365.45276s) started
T12 >> 1462229141.62006211 van der Waals (352.93423s) started
T12 >> 1462229141.73354912 semilocal (75.32304s) started
T12 << 1462229147.53889990 semilocal (81.12839s) stopped
T12 >> 1462229147.61602092 redistribute (37.15889s) started
T12 << 1462229148.56661296 redistribute (38.10948s) stopped
T12 >> 1462229148.56665707 libvdwxc nonlocal (237.98941s) started
T12 << 1462229167.18825197 libvdwxc nonlocal (256.61101s) stopped
T12 >> 1462229167.18829298 redistribute (38.10951s) started
T12 << 1462229170.05435395 redistribute (40.97557s) stopped
T12 << 1462229170.05546808 van der Waals (381.36964s) stopped
T12 << 1462229170.52108788 XC 3D grid (394.88589s) stopped
T12 >> 1462229170.52112889 Poisson (198.68236s) started
T12 << 1462229177.68364191 Poisson (205.84488s) stopped
T12 >> 1462229177.68370891 Hartree integrate/restrict (4.72738s) started
T12 << 1462229177.72757792 Hartree integrate/restrict (4.77125s) stopped
T12 >> 1462229177.72762108 Hartree integrate/restrict (4.77128s) started
T12 << 1462229178.04982400 Hartree integrate/restrict (5.09348s) stopped
T12 >> 1462229178.05020690 Atomic (31.67105s) started
T12 >> 1462229178.05171990 XC Correction (0.00044s) started
T12 << 1462229178.05173492 XC Correction (0.00045s) stopped
T12 << 1462229180.49803710 Atomic (34.11888s) stopped
T12 >> 1462229180.49812007 Communicate (86.43200s) started
T12 << 1462229187.14858603 Communicate (93.08246s) stopped
T12 << 1462229187.14861488 Hamiltonian (733.40792s) stopped
T12 >> 1462229187.14863706 LCAO eigensolver (882.73642s) started
T12 >> 1462229187.14864993 Potential matrix (13.59016s) started
T12 << 1462229188.12258410 Potential matrix (14.56409s) stopped
T12 >> 1462229188.12267089 DistributedAtomicCorrection (5.37951s) started
T12 << 1462229188.51287508 DistributedAtomicCorrection (5.76971s) stopped
T12 >> 1462229188.51292300 Distribute overlap matrix (92.61635s) started
T12 >> 1462229188.51294398 blocked summation (52.91294s) started
T12 << 1462229192.24139810 blocked summation (56.64139s) stopped
T12 >> 1462229192.25088501 Scalapack redistribute (39.56894s) started
T12 << 1462229195.09589601 Scalapack redistribute (42.41396s) stopped
T12 << 1462229195.09597611 Distribute overlap matrix (99.19941s) stopped
T12 >> 1462229195.10030794 Blacs Orbital Layouts (746.61358s) started
T12 >> 1462229195.10867405 General diagonalize (744.12761s) started
T12 << 1462229249.69111800 General diagonalize (798.71005s) stopped
T12 >> 1462229249.69116402 Redistribute coefs (0.10818s) started
T12 << 1462229249.69867301 Redistribute coefs (0.11568s) stopped
T12 >> 1462229249.69873691 Send coefs to domains (2.26023s) started
T12 << 1462229249.89143801 Send coefs to domains (2.45293s) stopped
T12 << 1462229249.89164996 Blacs Orbital Layouts (801.40492s) stopped
T12 >> 1462229249.89167905 Calculate projections (24.46806s) started
T12 << 1462229251.63926911 Calculate projections (26.21565s) stopped
T12 << 1462229251.63945603 LCAO eigensolver (947.22724s) stopped
T12 >> 1462229254.78223395 Density (227.69773s) started
T12 >> 1462229254.78224802 Pseudo density (177.26220s) started
T12 >> 1462229254.78393698 Calculate density matrix (166.52377s) started
T12 << 1462229266.60877204 Calculate density matrix (178.34860s) stopped
T12 >> 1462229266.60883999 Construct density (10.46357s) started
T12 << 1462229267.35630202 Construct density (11.21103s) stopped
T12 >> 1462229267.37030411 Symmetrize density (0.00114s) started
T12 << 1462229267.37036490 Symmetrize density (0.00120s) stopped
T12 << 1462229267.37251592 Pseudo density (189.85246s) stopped
T12 >> 1462229267.37257290 Atomic density matrices (44.23830s) started
T12 << 1462229270.47907305 Atomic density matrices (47.34480s) stopped
T12 >> 1462229270.47910500 Multipole moments (0.11480s) started
T12 << 1462229270.48747802 Multipole moments (0.12317s) stopped
T12 >> 1462229270.48750305 Normalize (0.08957s) started
T12 << 1462229270.49355698 Normalize (0.09563s) stopped
T12 >> 1462229270.49362898 Mix (5.99182s) started
T12 << 1462229270.93925309 Mix (6.43744s) stopped
T12 << 1462229270.93928289 Density (243.85478s) stopped
T12 >> 1462229270.93930697 Hamiltonian (733.40793s) started
T12 >> 1462229270.93932199 vbar (0.37433s) started
T12 << 1462229270.97288108 vbar (0.40789s) stopped
T12 >> 1462229270.97299790 XC 3D grid (394.88593s) started
T12 >> 1462229271.43920398 van der Waals (381.36967s) started
T12 >> 1462229271.55196190 semilocal (81.12852s) started
T12 << 1462229277.41388988 semilocal (86.99044s) stopped
T12 >> 1462229277.48901510 redistribute (40.97561s) started
T12 << 1462229278.43053102 redistribute (41.91713s) stopped
T12 >> 1462229278.43057394 libvdwxc nonlocal (256.61104s) started
T12 << 1462229297.45729303 libvdwxc nonlocal (275.63776s) stopped
T12 >> 1462229297.45734501 redistribute (41.91716s) started
T12 << 1462229299.10953403 redistribute (43.56935s) stopped
T12 << 1462229299.11052203 van der Waals (409.04099s) stopped
T12 << 1462229299.56933498 XC 3D grid (423.48226s) stopped
T12 >> 1462229299.56937790 Poisson (205.84493s) started
T12 << 1462229304.02950597 Poisson (210.30506s) stopped
T12 >> 1462229304.02956796 Hartree integrate/restrict (5.09353s) started
T12 << 1462229304.08649397 Hartree integrate/restrict (5.15045s) stopped
T12 >> 1462229304.08659196 Hartree integrate/restrict (5.15052s) started
T12 << 1462229304.40223289 Hartree integrate/restrict (5.46616s) stopped
T12 >> 1462229304.40258408 Atomic (34.11890s) started
T12 >> 1462229304.40412498 XC Correction (0.00046s) started
T12 << 1462229304.40414000 XC Correction (0.00048s) stopped
T12 << 1462229306.84491897 Atomic (36.56124s) stopped
T12 >> 1462229306.84500098 Communicate (93.08248s) started
T12 << 1462229313.50176096 Communicate (99.73924s) stopped
T12 << 1462229313.50179195 Hamiltonian (775.97041s) stopped
T12 >> 1462229313.50181890 LCAO eigensolver (947.22725s) started
T12 >> 1462229313.50183201 Potential matrix (14.56414s) started
T12 << 1462229314.47065711 Potential matrix (15.53297s) stopped
T12 >> 1462229314.47074294 DistributedAtomicCorrection (5.76975s) started
T12 << 1462229314.85770392 DistributedAtomicCorrection (6.15671s) stopped
T12 >> 1462229314.85775089 Distribute overlap matrix (99.19942s) started
T12 >> 1462229314.85777307 blocked summation (56.64142s) started
T12 << 1462229318.64096189 blocked summation (60.42461s) stopped
T12 >> 1462229318.64977288 Scalapack redistribute (42.41401s) started
T12 << 1462229321.44288206 Scalapack redistribute (45.20712s) stopped
T12 << 1462229321.44296288 Distribute overlap matrix (105.78463s) stopped
T12 >> 1462229321.44783497 Blacs Orbital Layouts (801.40494s) started
T12 >> 1462229321.45614696 General diagonalize (798.71009s) started
T12 << 1462229376.57780695 General diagonalize (853.83175s) stopped
T12 >> 1462229376.57785296 Redistribute coefs (0.11573s) started
T12 << 1462229376.58562303 Redistribute coefs (0.12350s) stopped
T12 >> 1462229376.58568406 Send coefs to domains (2.45296s) started
T12 << 1462229376.84626389 Send coefs to domains (2.71354s) stopped
T12 << 1462229376.84644294 Blacs Orbital Layouts (856.80355s) stopped
T12 >> 1462229376.84647393 Calculate projections (26.21570s) started
T12 << 1462229378.59315395 Calculate projections (27.96238s) stopped
T12 << 1462229378.59334111 LCAO eigensolver (1012.31878s) stopped
T12 >> 1462229381.77651000 Density (243.85479s) started
T12 >> 1462229381.77652597 Pseudo density (189.85251s) started
T12 >> 1462229381.77856588 Calculate density matrix (178.34866s) started
T12 << 1462229393.54444289 Calculate density matrix (190.11453s) stopped
T12 >> 1462229393.54449296 Construct density (11.21109s) started
T12 << 1462229394.29239702 Construct density (11.95899s) stopped
T12 >> 1462229394.30626988 Symmetrize density (0.00122s) started
T12 << 1462229394.30632806 Symmetrize density (0.00128s) stopped
T12 << 1462229394.30843806 Pseudo density (202.38442s) stopped
T12 >> 1462229394.30849504 Atomic density matrices (47.34483s) started
T12 << 1462229397.44743609 Atomic density matrices (50.48377s) stopped
T12 >> 1462229397.44746804 Multipole moments (0.12319s) started
T12 << 1462229397.45584393 Multipole moments (0.13156s) stopped
T12 >> 1462229397.45586801 Normalize (0.09568s) started
T12 << 1462229397.46191406 Normalize (0.10173s) stopped
T12 >> 1462229397.46199489 Mix (6.43747s) started
T12 << 1462229397.88614798 Mix (6.86162s) stopped
T12 << 1462229397.88620305 Density (259.96448s) stopped
T12 >> 1462229397.88622904 Hamiltonian (775.97043s) started
T12 >> 1462229397.88624501 vbar (0.40795s) started
T12 << 1462229397.90862393 vbar (0.43033s) stopped
T12 >> 1462229397.90871096 XC 3D grid (423.48230s) started
T12 >> 1462229398.40934706 van der Waals (409.04102s) started
T12 >> 1462229398.52208900 semilocal (86.99056s) started
T12 << 1462229404.25661707 semilocal (92.72509s) stopped
T12 >> 1462229404.33167410 redistribute (43.56941s) started
T12 << 1462229405.39090395 redistribute (44.62864s) stopped
T12 >> 1462229405.39094806 libvdwxc nonlocal (275.63780s) started
T12 << 1462229424.23833108 libvdwxc nonlocal (294.48518s) stopped
T12 >> 1462229424.23839092 redistribute (44.62867s) started
T12 << 1462229426.02083492 redistribute (46.41112s) stopped
T12 << 1462229426.02190709 van der Waals (436.65358s) stopped
T12 << 1462229426.48498392 XC 3D grid (452.05857s) stopped
T12 >> 1462229426.48502707 Poisson (210.30510s) started
T12 << 1462229432.43891501 Poisson (216.25899s) stopped
T12 >> 1462229432.43902206 Hartree integrate/restrict (5.46619s) started
T12 << 1462229432.48149991 Hartree integrate/restrict (5.50867s) stopped
T12 >> 1462229432.48158312 Hartree integrate/restrict (5.50873s) started
T12 << 1462229432.81729507 Hartree integrate/restrict (5.84444s) stopped
T12 >> 1462229432.81764793 Atomic (36.56126s) started
T12 >> 1462229432.81912708 XC Correction (0.00049s) started
T12 << 1462229432.81914091 XC Correction (0.00050s) stopped
T12 << 1462229435.25272894 Atomic (38.99634s) stopped
T12 >> 1462229435.25281596 Communicate (99.73926s) started
T12 << 1462229441.92317104 Communicate (106.40962s) stopped
T12 << 1462229441.92319894 Hamiltonian (820.00740s) stopped
T12 >> 1462229441.92321992 LCAO eigensolver (1012.31879s) started
T12 >> 1462229441.92323303 Potential matrix (15.53302s) started
T12 << 1462229442.89323211 Potential matrix (16.50302s) stopped
T12 >> 1462229442.89330506 DistributedAtomicCorrection (6.15675s) started
T12 << 1462229443.27655697 DistributedAtomicCorrection (6.54000s) stopped
T12 >> 1462229443.27660394 Distribute overlap matrix (105.78464s) started
T12 >> 1462229443.27662396 blocked summation (60.42464s) started
T12 << 1462229447.17006707 blocked summation (64.31808s) stopped
T12 >> 1462229447.17960405 Scalapack redistribute (45.20718s) started
T12 << 1462229449.86766911 Scalapack redistribute (47.89525s) stopped
T12 << 1462229449.86774993 Distribute overlap matrix (112.37579s) stopped
T12 >> 1462229449.87186909 Blacs Orbital Layouts (856.80357s) started
T12 >> 1462229449.87987804 General diagonalize (853.83179s) started
T12 << 1462229501.82973003 General diagonalize (905.78164s) stopped
T12 >> 1462229501.82977509 Redistribute coefs (0.12355s) started
T12 << 1462229501.83734488 Redistribute coefs (0.13112s) stopped
T12 >> 1462229501.83740592 Send coefs to domains (2.71357s) started
T12 << 1462229501.95624900 Send coefs to domains (2.83242s) stopped
T12 << 1462229501.95643210 Blacs Orbital Layouts (908.88814s) stopped
T12 >> 1462229501.95647597 Calculate projections (27.96243s) started
T12 << 1462229503.70248795 Calculate projections (29.70844s) stopped
T12 << 1462229503.70281792 LCAO eigensolver (1074.09839s) stopped
T12 >> 1462229506.86496305 Density (259.96450s) started
T12 >> 1462229506.86497808 Pseudo density (202.38447s) started
T12 >> 1462229506.86731601 Calculate density matrix (190.11457s) started
T12 << 1462229518.74143791 Calculate density matrix (201.98869s) stopped
T12 >> 1462229518.74148798 Construct density (11.95904s) started
T12 << 1462229519.48749995 Construct density (12.70505s) stopped
T12 >> 1462229519.50115490 Symmetrize density (0.00129s) started
T12 << 1462229519.50121188 Symmetrize density (0.00135s) stopped
T12 << 1462229519.50335908 Pseudo density (215.02285s) stopped
T12 >> 1462229519.50341702 Atomic density matrices (50.48379s) started
T12 << 1462229522.64675593 Atomic density matrices (53.62713s) stopped
T12 >> 1462229522.64678907 Multipole moments (0.13158s) started
T12 << 1462229522.65523696 Multipole moments (0.14003s) stopped
T12 >> 1462229522.65526009 Normalize (0.10179s) started
T12 << 1462229522.66130710 Normalize (0.10784s) stopped
T12 >> 1462229522.66140103 Mix (6.86168s) started
T12 << 1462229523.13524604 Mix (7.33552s) stopped
T12 << 1462229523.13529706 Density (276.23483s) stopped
T12 >> 1462229523.13532305 Hamiltonian (820.00741s) started
T12 >> 1462229523.13533807 vbar (0.43039s) started
T12 << 1462229523.16247392 vbar (0.45752s) stopped
T12 >> 1462229523.16258407 XC 3D grid (452.05860s) started
T12 >> 1462229523.66858196 van der Waals (436.65360s) started
T12 >> 1462229523.77998590 semilocal (92.72514s) started
T12 << 1462229529.53667808 semilocal (98.48183s) stopped
T12 >> 1462229529.60867405 redistribute (46.41118s) started
T12 << 1462229530.63387990 redistribute (47.43638s) stopped
T12 >> 1462229530.63392496 libvdwxc nonlocal (294.48523s) started
T12 << 1462229548.80924201 libvdwxc nonlocal (312.66055s) stopped
T12 >> 1462229548.80930591 redistribute (47.43642s) started
T12 << 1462229550.63379002 redistribute (49.26090s) stopped
T12 << 1462229550.63491702 van der Waals (463.61994s) stopped
T12 << 1462229551.10054803 XC 3D grid (479.99657s) stopped
T12 >> 1462229551.10059309 Poisson (216.25907s) started
T12 << 1462229556.78193903 Poisson (221.94042s) stopped
T12 >> 1462229556.78206992 Hartree integrate/restrict (5.84447s) started
T12 << 1462229556.82380009 Hartree integrate/restrict (5.88620s) stopped
T12 >> 1462229556.82388210 Hartree integrate/restrict (5.88626s) started
T12 << 1462229557.14901805 Hartree integrate/restrict (6.21139s) stopped
T12 >> 1462229557.14958405 Atomic (38.99636s) started
T12 >> 1462229557.15158892 XC Correction (0.00051s) started
T12 << 1462229557.15162897 XC Correction (0.00055s) stopped
T12 << 1462229559.57612991 Atomic (41.42291s) stopped
T12 >> 1462229559.57621288 Communicate (106.40964s) started
T12 << 1462229566.25827289 Communicate (113.09170s) stopped
T12 << 1462229566.25830102 Hamiltonian (863.13039s) stopped
T12 >> 1462229566.25832295 LCAO eigensolver (1074.09841s) started
T12 >> 1462229566.25833511 Potential matrix (16.50306s) started
T12 << 1462229567.22422409 Potential matrix (17.46895s) stopped
T12 >> 1462229567.22429705 DistributedAtomicCorrection (6.54004s) started
T12 << 1462229567.60432410 DistributedAtomicCorrection (6.92007s) stopped
T12 >> 1462229567.60437107 Distribute overlap matrix (112.37580s) started
T12 >> 1462229567.60439301 blocked summation (64.31812s) started
T12 << 1462229571.49864507 blocked summation (68.21237s) stopped
T12 >> 1462229571.50853205 Scalapack redistribute (47.89530s) started
T12 << 1462229574.15728688 Scalapack redistribute (50.54406s) stopped
T12 << 1462229574.15736294 Distribute overlap matrix (118.92879s) stopped
T12 >> 1462229574.16151500 Blacs Orbital Layouts (908.88817s) started
T12 >> 1462229574.16937089 General diagonalize (905.78167s) started
T12 << 1462229624.17917705 General diagonalize (955.79148s) stopped
T12 >> 1462229624.17922401 Redistribute coefs (0.13117s) started
T12 << 1462229624.18725801 Redistribute coefs (0.13920s) stopped
T12 >> 1462229624.18730402 Send coefs to domains (2.83245s) started
T12 << 1462229624.37756109 Send coefs to domains (3.02271s) stopped
T12 << 1462229624.37776709 Blacs Orbital Layouts (959.10442s) stopped
T12 >> 1462229624.37779999 Calculate projections (29.70849s) started
T12 << 1462229626.12296605 Calculate projections (31.45366s) stopped
T12 << 1462229626.12328792 LCAO eigensolver (1133.96338s) stopped
T12 >> 1462229629.31041098 Density (276.23485s) started
T12 >> 1462229629.31042600 Pseudo density (215.02290s) started
T12 >> 1462229629.31271410 Calculate density matrix (201.98873s) started
T12 << 1462229641.08065510 Calculate density matrix (213.75667s) stopped
T12 >> 1462229641.08070302 Construct density (12.70511s) started
T12 << 1462229641.82771397 Construct density (13.45212s) stopped
T12 >> 1462229641.84153891 Symmetrize density (0.00137s) started
T12 << 1462229641.84159589 Symmetrize density (0.00142s) stopped
T12 << 1462229641.84371805 Pseudo density (227.55619s) stopped
T12 >> 1462229641.84378099 Atomic density matrices (53.62716s) started
T12 << 1462229644.93389201 Atomic density matrices (56.71727s) stopped
T12 >> 1462229644.93392396 Multipole moments (0.14004s) started
T12 << 1462229644.94192195 Multipole moments (0.14804s) stopped
T12 >> 1462229644.94194603 Normalize (0.10792s) started
T12 << 1462229644.94805408 Normalize (0.11402s) stopped
T12 >> 1462229644.94810200 Mix (7.33557s) started
T12 << 1462229645.39876103 Mix (7.78623s) stopped
T12 << 1462229645.39881301 Density (292.32325s) stopped
T12 >> 1462229645.39883590 Hamiltonian (863.13040s) started
T12 >> 1462229645.39885092 vbar (0.45759s) started
T12 << 1462229645.43157601 vbar (0.49031s) stopped
T12 >> 1462229645.43172693 XC 3D grid (479.99660s) started
T12 >> 1462229645.90343308 van der Waals (463.61997s) started
T12 >> 1462229646.01838398 semilocal (98.48192s) started
T12 << 1462229651.88980389 semilocal (104.35334s) stopped
T12 >> 1462229651.96962810 redistribute (49.26096s) started
T12 << 1462229652.90397906 redistribute (50.19532s) stopped
T12 >> 1462229652.90404510 libvdwxc nonlocal (312.66059s) started
T12 << 1462229671.13961101 libvdwxc nonlocal (330.89616s) stopped
T12 >> 1462229671.13965011 redistribute (50.19536s) started
T12 << 1462229672.82543302 redistribute (51.88115s) stopped
T12 << 1462229672.82632995 van der Waals (490.54287s) stopped
T12 << 1462229673.29450607 XC 3D grid (507.85938s) stopped
T12 >> 1462229673.29454899 Poisson (221.94052s) started
T12 << 1462229679.02908993 Poisson (227.67506s) stopped
T12 >> 1462229679.02916598 Hartree integrate/restrict (6.21146s) started
T12 << 1462229679.07318592 Hartree integrate/restrict (6.25548s) stopped
T12 >> 1462229679.07322502 Hartree integrate/restrict (6.25550s) started
T12 << 1462229679.40421605 Hartree integrate/restrict (6.58649s) stopped
T12 >> 1462229679.40456295 Atomic (41.42293s) started
T12 >> 1462229679.40607405 XC Correction (0.00057s) started
T12 << 1462229679.40609002 XC Correction (0.00058s) stopped
T12 << 1462229681.84625006 Atomic (43.86462s) stopped
T12 >> 1462229681.84632802 Communicate (113.09171s) started
T12 << 1462229688.49816203 Communicate (119.74355s) stopped
T12 << 1462229688.49818707 Hamiltonian (906.22975s) stopped
T12 >> 1462229688.49820709 LCAO eigensolver (1133.96340s) started
T12 >> 1462229688.49821997 Potential matrix (17.46899s) started
T12 << 1462229689.46444201 Potential matrix (18.43521s) stopped
T12 >> 1462229689.46452904 DistributedAtomicCorrection (6.92011s) started
T12 << 1462229689.84529996 DistributedAtomicCorrection (7.30088s) stopped
T12 >> 1462229689.84534907 Distribute overlap matrix (118.92880s) started
T12 >> 1462229689.84536910 blocked summation (68.21240s) started
T12 << 1462229693.69556594 blocked summation (72.06260s) stopped
T12 >> 1462229693.70580411 Scalapack redistribute (50.54411s) started
T12 << 1462229696.41822791 Scalapack redistribute (53.25654s) stopped
T12 << 1462229696.41831493 Distribute overlap matrix (125.50177s) stopped
T12 >> 1462229696.42243600 Blacs Orbital Layouts (959.10444s) started
T12 >> 1462229696.43007708 General diagonalize (955.79151s) started
T12 << 1462229750.71634007 General diagonalize (1010.07778s) stopped
T12 >> 1462229750.71639490 Redistribute coefs (0.13924s) started
T12 << 1462229750.72410107 Redistribute coefs (0.14694s) stopped
T12 >> 1462229750.72417688 Send coefs to domains (3.02274s) started
T12 << 1462229750.88510203 Send coefs to domains (3.18366s) stopped
T12 << 1462229750.88534999 Blacs Orbital Layouts (1013.56736s) stopped
T12 >> 1462229750.88538289 Calculate projections (31.45371s) started
T12 << 1462229752.63154411 Calculate projections (33.19987s) stopped
T12 << 1462229752.63201094 LCAO eigensolver (1198.09720s) stopped
T12 >> 1462229755.81920695 Density (292.32326s) started
T12 >> 1462229755.81922197 Pseudo density (227.55624s) started
T12 >> 1462229755.82286000 Calculate density matrix (213.75670s) started
T12 << 1462229767.57030511 Calculate density matrix (225.50415s) stopped
T12 >> 1462229767.57036090 Construct density (13.45217s) started
T12 << 1462229768.31360507 Construct density (14.19541s) stopped
T12 >> 1462229768.32900190 Symmetrize density (0.00144s) started
T12 << 1462229768.32906795 Symmetrize density (0.00151s) stopped
T12 << 1462229768.33131289 Pseudo density (240.06833s) stopped
T12 >> 1462229768.33138204 Atomic density matrices (56.71730s) started
T12 << 1462229771.55327702 Atomic density matrices (59.93919s) stopped
T12 >> 1462229771.55331302 Multipole moments (0.14806s) started
T12 << 1462229771.56165910 Multipole moments (0.15640s) stopped
T12 >> 1462229771.56168294 Normalize (0.11406s) started
T12 << 1462229771.56938410 Normalize (0.12176s) stopped
T12 >> 1462229771.56943202 Mix (7.78628s) started
T12 << 1462229771.99940300 Mix (8.21625s) stopped
T12 << 1462229771.99944901 Density (308.50350s) stopped
T12 >> 1462229771.99947500 Hamiltonian (906.22976s) started
T12 >> 1462229771.99949193 vbar (0.49041s) started
T12 << 1462229772.03783393 vbar (0.52875s) stopped
T12 >> 1462229772.03801394 XC 3D grid (507.85941s) started
T12 >> 1462229772.50817394 van der Waals (490.54290s) started
T12 >> 1462229772.61701107 semilocal (104.35342s) started
T12 << 1462229778.30882597 semilocal (110.04524s) stopped
T12 >> 1462229778.38762689 redistribute (51.88121s) started
T12 << 1462229779.46471691 redistribute (52.95830s) stopped
T12 >> 1462229779.46477008 libvdwxc nonlocal (330.89619s) started
T12 << 1462229798.02808309 libvdwxc nonlocal (349.45950s) stopped
T12 >> 1462229798.02815199 redistribute (52.95834s) started
T12 << 1462229800.07489300 redistribute (55.00508s) stopped
T12 << 1462229800.07620096 van der Waals (518.11093s) stopped
T12 << 1462229800.54662704 XC 3D grid (536.36803s) stopped
T12 >> 1462229800.54669309 Poisson (227.67512s) started
T12 << 1462229806.39721990 Poisson (233.52564s) stopped
T12 >> 1462229806.39737105 Hartree integrate/restrict (6.58652s) started
T12 << 1462229806.43479800 Hartree integrate/restrict (6.62395s) stopped
T12 >> 1462229806.43494892 Hartree integrate/restrict (6.62405s) started
T12 << 1462229806.77898598 Hartree integrate/restrict (6.96809s) stopped
T12 >> 1462229806.77935696 Atomic (43.86464s) started
T12 >> 1462229806.78080297 XC Correction (0.00059s) started
T12 << 1462229806.78081799 XC Correction (0.00061s) stopped
T12 << 1462229809.21610308 Atomic (46.30139s) stopped
T12 >> 1462229809.21617889 Communicate (119.74356s) started
T12 << 1462229815.86150289 Communicate (126.38889s) stopped
T12 << 1462229815.86153412 Hamiltonian (950.09182s) stopped
T12 >> 1462229815.86155701 LCAO eigensolver (1198.09722s) started
T12 >> 1462229815.86156988 Potential matrix (18.43526s) started
T12 << 1462229816.82487988 Potential matrix (19.39857s) stopped
T12 >> 1462229816.82495809 DistributedAtomicCorrection (7.30092s) started
T12 << 1462229817.20353699 DistributedAtomicCorrection (7.67950s) stopped
T12 >> 1462229817.20358491 Distribute overlap matrix (125.50181s) started
T12 >> 1462229817.20360804 blocked summation (72.06263s) started
T12 << 1462229821.07172108 blocked summation (75.93074s) stopped
T12 >> 1462229821.08147907 Scalapack redistribute (53.25660s) started
T12 << 1462229823.82148004 Scalapack redistribute (55.99660s) stopped
T12 << 1462229823.82156110 Distribute overlap matrix (132.11978s) stopped
T12 >> 1462229823.82611394 Blacs Orbital Layouts (1013.56738s) started
T12 >> 1462229823.83440495 General diagonalize (1010.07782s) started
T12 << 1462229876.28722405 General diagonalize (1062.53064s) stopped
T12 >> 1462229876.28731203 Redistribute coefs (0.14701s) started
T12 << 1462229876.29551196 Redistribute coefs (0.15521s) stopped
T12 >> 1462229876.29559708 Send coefs to domains (3.18371s) started
T12 << 1462229876.44470406 Send coefs to domains (3.33281s) stopped
T12 << 1462229876.44489193 Blacs Orbital Layouts (1066.18616s) stopped
T12 >> 1462229876.44492412 Calculate projections (33.19993s) started
T12 << 1462229878.19302702 Calculate projections (34.94803s) stopped
T12 << 1462229878.19338298 LCAO eigensolver (1260.42904s) stopped
T12 >> 1462229881.37733603 Density (308.50351s) started
T12 >> 1462229881.37735200 Pseudo density (240.06838s) started
T12 >> 1462229881.37977290 Calculate density matrix (225.50418s) started
T12 << 1462229893.34735298 Calculate density matrix (237.47176s) stopped
T12 >> 1462229893.34740996 Construct density (14.19547s) started
T12 << 1462229894.09301305 Construct density (14.94107s) stopped
T12 >> 1462229894.11034489 Symmetrize density (0.00153s) started
T12 << 1462229894.11041188 Symmetrize density (0.00159s) stopped
T12 << 1462229894.11267090 Pseudo density (252.80370s) stopped
T12 >> 1462229894.11274099 Atomic density matrices (59.93922s) started
T12 << 1462229897.20072103 Atomic density matrices (63.02720s) stopped
T12 >> 1462229897.20075989 Multipole moments (0.15642s) started
T12 << 1462229897.20878100 Multipole moments (0.16444s) stopped
T12 >> 1462229897.20880604 Normalize (0.12179s) started
T12 << 1462229897.21649289 Normalize (0.12948s) stopped
T12 >> 1462229897.21654201 Mix (8.21630s) started
T12 << 1462229897.64017391 Mix (8.63993s) stopped
T12 << 1462229897.64024305 Density (324.76642s) stopped
T12 >> 1462229897.64027500 Hamiltonian (950.09183s) started
T12 >> 1462229897.64029193 vbar (0.52885s) started
T12 << 1462229897.66485810 vbar (0.55341s) stopped
T12 >> 1462229897.66498089 XC 3D grid (536.36808s) started
T12 >> 1462229898.19415808 van der Waals (518.11097s) started
T12 >> 1462229898.30621290 semilocal (110.04534s) started
T12 << 1462229904.10194492 semilocal (115.84107s) stopped
T12 >> 1462229904.17902303 redistribute (55.00514s) started
T12 << 1462229905.16536093 redistribute (55.99148s) stopped
T12 >> 1462229905.16541290 libvdwxc nonlocal (349.45956s) started
T12 << 1462229923.23112893 libvdwxc nonlocal (367.52527s) stopped
T12 >> 1462229923.23120093 redistribute (55.99152s) started
T12 << 1462229926.31305099 redistribute (59.07337s) stopped
T12 << 1462229926.31432605 van der Waals (546.23113s) stopped
T12 << 1462229926.77535605 XC 3D grid (565.47845s) stopped
T12 >> 1462229926.77540398 Poisson (233.52576s) started
T12 << 1462229932.60777497 Poisson (239.35813s) stopped
T12 >> 1462229932.60786200 Hartree integrate/restrict (6.96814s) started
T12 << 1462229932.64666009 Hartree integrate/restrict (7.00694s) stopped
T12 >> 1462229932.64677811 Hartree integrate/restrict (7.00702s) started
T12 << 1462229932.99264097 Hartree integrate/restrict (7.35289s) stopped
T12 >> 1462229932.99299908 Atomic (46.30141s) started
T12 >> 1462229932.99444103 XC Correction (0.00062s) started
T12 << 1462229932.99445891 XC Correction (0.00064s) stopped
T12 << 1462229935.40928006 Atomic (48.71769s) stopped
T12 >> 1462229935.40935493 Communicate (126.38891s) started
T12 << 1462229942.07042193 Communicate (133.04998s) stopped
T12 << 1462229942.07045603 Hamiltonian (994.52202s) stopped
T12 >> 1462229942.07047892 LCAO eigensolver (1260.42906s) started
T12 >> 1462229942.07049203 Potential matrix (19.39862s) started
T12 << 1462229943.03240705 Potential matrix (20.36053s) stopped
T12 >> 1462229943.03248811 DistributedAtomicCorrection (7.67953s) started
T12 << 1462229943.41061592 DistributedAtomicCorrection (8.05766s) stopped
T12 >> 1462229943.41070199 Distribute overlap matrix (132.11980s) started
T12 >> 1462229943.41072607 blocked summation (75.93079s) started
T12 << 1462229947.26149201 blocked summation (79.78156s) stopped
T12 >> 1462229947.27092505 Scalapack redistribute (55.99666s) started
T12 << 1462229950.00738502 Scalapack redistribute (58.73312s) stopped
T12 << 1462229950.00746894 Distribute overlap matrix (138.71657s) stopped
T12 >> 1462229950.01210499 Blacs Orbital Layouts (1066.18618s) started
T12 >> 1462229950.01998711 General diagonalize (1062.53071s) started
T12 << 1462230004.84113908 General diagonalize (1117.35186s) stopped
T12 >> 1462230004.84119296 Redistribute coefs (0.15527s) started
T12 << 1462230004.84892607 Redistribute coefs (0.16301s) stopped
T12 >> 1462230004.84900904 Send coefs to domains (3.33285s) started
T12 << 1462230004.98505402 Send coefs to domains (3.46890s) stopped
T12 << 1462230004.98536396 Blacs Orbital Layouts (1121.15944s) stopped
T12 >> 1462230004.98539591 Calculate projections (34.94808s) started
T12 << 1462230006.73264194 Calculate projections (36.69533s) stopped
T12 << 1462230006.73298907 LCAO eigensolver (1325.09157s) stopped
T12 >> 1462230009.91639996 Density (324.76644s) started
T12 >> 1462230009.91641593 Pseudo density (252.80376s) started
T12 >> 1462230009.91869402 Calculate density matrix (237.47180s) started
T12 << 1462230021.69840908 Calculate density matrix (249.25151s) stopped
T12 >> 1462230021.69846606 Construct density (14.94113s) started
T12 << 1462230022.44504309 Construct density (15.68771s) stopped
T12 >> 1462230022.46239996 Symmetrize density (0.00161s) started
T12 << 1462230022.46246696 Symmetrize density (0.00168s) stopped
T12 << 1462230022.46471906 Pseudo density (265.35206s) stopped
T12 >> 1462230022.46478605 Atomic density matrices (63.02723s) started
T12 << 1462230025.56734610 Atomic density matrices (66.12979s) stopped
T12 >> 1462230025.56738210 Multipole moments (0.16446s) started
T12 << 1462230025.57578206 Multipole moments (0.17286s) stopped
T12 >> 1462230025.57580709 Normalize (0.12952s) started
T12 << 1462230025.58257389 Normalize (0.13628s) stopped
T12 >> 1462230025.58261895 Mix (8.64000s) started
T12 << 1462230026.07084990 Mix (9.12823s) stopped
T12 << 1462230026.07090998 Density (340.92095s) stopped
T12 >> 1462230026.07093501 Hamiltonian (994.52203s) started
T12 >> 1462230026.07095098 vbar (0.55348s) started
T12 << 1462230026.09810901 vbar (0.58064s) stopped
T12 >> 1462230026.09826112 XC 3D grid (565.47849s) started
T12 >> 1462230026.55281496 van der Waals (546.23119s) started
T12 >> 1462230026.66558599 semilocal (115.84116s) started
T12 << 1462230032.49724197 semilocal (121.67282s) stopped
T12 >> 1462230032.57701707 redistribute (59.07341s) started
T12 << 1462230033.53015208 redistribute (60.02655s) stopped
T12 >> 1462230033.53019595 libvdwxc nonlocal (367.52533s) started
T12 << 1462230052.40457797 libvdwxc nonlocal (386.39971s) stopped
T12 >> 1462230052.40463805 redistribute (60.02658s) started
T12 << 1462230054.07412100 redistribute (61.69606s) stopped
T12 << 1462230054.07506299 van der Waals (573.75344s) stopped
T12 << 1462230054.53533912 XC 3D grid (593.91557s) stopped
T12 >> 1462230054.53538108 Poisson (239.35819s) started
T12 << 1462230060.42674899 Poisson (245.24956s) stopped
T12 >> 1462230060.42680597 Hartree integrate/restrict (7.35292s) started
T12 << 1462230060.48130393 Hartree integrate/restrict (7.40742s) stopped
T12 >> 1462230060.48142409 Hartree integrate/restrict (7.40751s) started
T12 << 1462230060.79976010 Hartree integrate/restrict (7.72585s) stopped
T12 >> 1462230060.80015302 Atomic (48.71771s) started
T12 >> 1462230060.80199289 XC Correction (0.00065s) started
T12 << 1462230060.80201793 XC Correction (0.00068s) stopped
T12 << 1462230063.23635292 Atomic (51.15391s) stopped
T12 >> 1462230063.23643398 Communicate (133.05000s) started
T12 << 1462230069.89226699 Communicate (139.70583s) stopped
T12 << 1462230069.89229703 Hamiltonian (1038.34339s) stopped
T12 >> 1462230069.89231801 LCAO eigensolver (1325.09159s) started
T12 >> 1462230069.89233088 Potential matrix (20.36058s) started
T12 << 1462230070.85994911 Potential matrix (21.32820s) stopped
T12 >> 1462230070.86003590 DistributedAtomicCorrection (8.05773s) started
T12 << 1462230071.24565411 DistributedAtomicCorrection (8.44335s) stopped
T12 >> 1462230071.24570203 Distribute overlap matrix (138.71658s) started
T12 >> 1462230071.24572301 blocked summation (79.78162s) started
T12 << 1462230075.11961293 blocked summation (83.65551s) stopped
T12 >> 1462230075.12905002 Scalapack redistribute (58.73318s) started
T12 << 1462230077.77777791 Scalapack redistribute (61.38191s) stopped
T12 << 1462230077.77786398 Distribute overlap matrix (145.24874s) stopped
T12 >> 1462230077.78191805 Blacs Orbital Layouts (1121.15945s) started
T12 >> 1462230077.78983307 General diagonalize (1117.35191s) started
T12 << 1462230132.98619890 General diagonalize (1172.54827s) stopped
T12 >> 1462230132.98624492 Redistribute coefs (0.16307s) started
T12 << 1462230132.99414110 Redistribute coefs (0.17097s) stopped
T12 >> 1462230132.99421501 Send coefs to domains (3.46894s) started
T12 << 1462230133.42624998 Send coefs to domains (3.90097s) stopped
T12 << 1462230133.42643404 Blacs Orbital Layouts (1176.80397s) stopped
T12 >> 1462230133.42646289 Calculate projections (36.69538s) started
T12 << 1462230135.17165494 Calculate projections (38.44057s) stopped
T12 << 1462230135.17200208 LCAO eigensolver (1390.37127s) stopped
T12 >> 1462230138.35429001 Density (340.92096s) started
T12 >> 1462230138.35430503 Pseudo density (265.35211s) started
T12 >> 1462230138.35640001 Calculate density matrix (249.25155s) started
T12 << 1462230150.14555097 Calculate density matrix (261.04070s) stopped
T12 >> 1462230150.14559889 Construct density (15.68777s) started
T12 << 1462230150.89281893 Construct density (16.43499s) stopped
T12 >> 1462230150.90662098 Symmetrize density (0.00170s) started
T12 << 1462230150.90667605 Symmetrize density (0.00175s) stopped
T12 << 1462230150.90879798 Pseudo density (277.90661s) stopped
T12 >> 1462230150.90885901 Atomic density matrices (66.12982s) started
T12 << 1462230154.04640007 Atomic density matrices (69.26736s) stopped
T12 >> 1462230154.04643202 Multipole moments (0.17287s) started
T12 << 1462230154.05481291 Multipole moments (0.18125s) stopped
T12 >> 1462230154.05483699 Normalize (0.13632s) started
T12 << 1462230154.06129003 Normalize (0.14277s) stopped
T12 >> 1462230154.06134200 Mix (9.12829s) started
T12 << 1462230154.55013704 Mix (9.61708s) stopped
T12 << 1462230154.55016708 Density (357.11683s) stopped
T12 >> 1462230154.55019307 Hamiltonian (1038.34340s) started
T12 >> 1462230154.55020809 vbar (0.58073s) started
T12 << 1462230154.58590698 vbar (0.61643s) stopped
T12 >> 1462230154.58605003 XC 3D grid (593.91560s) started
T12 >> 1462230155.07913494 van der Waals (573.75347s) started
T12 >> 1462230155.19553304 semilocal (121.67293s) started
T12 << 1462230161.06222010 semilocal (127.53962s) stopped
T12 >> 1462230161.14501905 redistribute (61.69610s) started
T12 << 1462230162.09843898 redistribute (62.64952s) stopped
T12 >> 1462230162.09848404 libvdwxc nonlocal (386.39976s) started
T12 << 1462230180.66354299 libvdwxc nonlocal (404.96481s) stopped
T12 >> 1462230180.66359496 redistribute (62.64955s) started
T12 << 1462230182.47109103 redistribute (64.45704s) stopped
T12 << 1462230182.47205806 van der Waals (601.14639s) stopped
T12 << 1462230183.03752899 XC 3D grid (622.36708s) stopped
T12 >> 1462230183.03758001 Poisson (245.24960s) started
T12 << 1462230187.48860192 Poisson (249.70062s) stopped
T12 >> 1462230187.48873305 Hartree integrate/restrict (7.72588s) started
T12 << 1462230187.53807306 Hartree integrate/restrict (7.77522s) stopped
T12 >> 1462230187.53817201 Hartree integrate/restrict (7.77529s) started
T12 << 1462230187.85827208 Hartree integrate/restrict (8.09539s) stopped
T12 >> 1462230187.85862589 Atomic (51.15394s) started
T12 >> 1462230187.86027694 XC Correction (0.00069s) started
T12 << 1462230187.86030602 XC Correction (0.00072s) stopped
T12 << 1462230190.29025793 Atomic (53.58557s) stopped
T12 >> 1462230190.29035211 Communicate (139.70585s) started
T12 << 1462230196.94248009 Communicate (146.35798s) stopped
T12 << 1462230196.94250894 Hamiltonian (1080.73572s) stopped
T12 >> 1462230196.94253111 LCAO eigensolver (1390.37129s) started
T12 >> 1462230196.94254303 Potential matrix (21.32825s) started
T12 << 1462230197.90372801 Potential matrix (22.28943s) stopped
T12 >> 1462230197.90380001 DistributedAtomicCorrection (8.44339s) started
T12 << 1462230198.28774405 DistributedAtomicCorrection (8.82733s) stopped
T12 >> 1462230198.28779411 Distribute overlap matrix (145.24876s) started
T12 >> 1462230198.28781605 blocked summation (83.65554s) started
T12 << 1462230202.13738489 blocked summation (87.50511s) stopped
T12 >> 1462230202.14803696 Scalapack redistribute (61.38197s) started
T12 << 1462230204.87082100 Scalapack redistribute (64.10476s) stopped
T12 << 1462230204.87090802 Distribute overlap matrix (151.83187s) stopped
T12 >> 1462230204.87505507 Blacs Orbital Layouts (1176.80399s) started
T12 >> 1462230204.88303304 General diagonalize (1172.54831s) started
T12 << 1462230257.29582191 General diagonalize (1224.96110s) stopped
T12 >> 1462230257.29587007 Redistribute coefs (0.17102s) started
T12 << 1462230257.30331206 Redistribute coefs (0.17847s) stopped
T12 >> 1462230257.30337501 Send coefs to domains (3.90101s) started
T12 << 1462230257.43217397 Send coefs to domains (4.02980s) stopped
T12 << 1462230257.43235612 Blacs Orbital Layouts (1229.36129s) stopped
T12 >> 1462230257.43238592 Calculate projections (38.44062s) started
T12 << 1462230259.17690396 Calculate projections (40.18514s) stopped
T12 << 1462230259.17723393 LCAO eigensolver (1452.60600s) stopped
T12 >> 1462230262.32863092 Density (357.11685s) started
T12 >> 1462230262.32864594 Pseudo density (277.90665s) started
T12 >> 1462230262.33060598 Calculate density matrix (261.04074s) started
T12 << 1462230274.45389509 Calculate density matrix (273.16403s) stopped
T12 >> 1462230274.45394492 Construct density (16.43504s) started
T12 << 1462230275.20145512 Construct density (17.18255s) stopped
T12 >> 1462230275.21613312 Symmetrize density (0.00177s) started
T12 << 1462230275.21619296 Symmetrize density (0.00183s) stopped
T12 << 1462230275.21831703 Pseudo density (290.79633s) stopped
T12 >> 1462230275.21837711 Atomic density matrices (69.26738s) started
T12 << 1462230278.41419101 Atomic density matrices (72.46320s) stopped
T12 >> 1462230278.41422510 Multipole moments (0.18127s) started
T12 << 1462230278.42277598 Multipole moments (0.18982s) stopped
T12 >> 1462230278.42280197 Normalize (0.14281s) started
T12 << 1462230278.42922091 Normalize (0.14922s) stopped
T12 >> 1462230278.42932200 Mix (9.61711s) started
T12 << 1462230278.84600091 Mix (10.03379s) stopped
T12 << 1462230278.84606409 Density (373.63428s) stopped
T12 >> 1462230278.84609294 Hamiltonian (1080.73573s) started
T12 >> 1462230278.84610891 vbar (0.61652s) started
T12 << 1462230278.86700296 vbar (0.63741s) stopped
T12 >> 1462230278.86710811 XC 3D grid (622.36712s) started
T12 >> 1462230279.41060805 van der Waals (601.14642s) started
T12 >> 1462230279.52542591 semilocal (127.53974s) started
T12 << 1462230285.26224709 semilocal (133.27656s) stopped
T12 >> 1462230285.34273791 redistribute (64.45711s) started
T12 << 1462230286.39411092 redistribute (65.50848s) stopped
T12 >> 1462230286.39415598 libvdwxc nonlocal (404.96485s) started
T12 << 1462230305.32090092 libvdwxc nonlocal (423.89160s) stopped
T12 >> 1462230305.32094312 redistribute (65.50851s) started
T12 << 1462230306.98283005 redistribute (67.17040s) stopped
T12 << 1462230306.98392200 van der Waals (628.71973s) stopped
T12 << 1462230307.45936489 XC 3D grid (650.95938s) stopped
T12 >> 1462230307.45940495 Poisson (249.70073s) started
T12 << 1462230311.84660006 Poisson (254.08792s) stopped
T12 >> 1462230311.84665799 Hartree integrate/restrict (8.09543s) started
T12 << 1462230311.90121603 Hartree integrate/restrict (8.14998s) stopped
T12 >> 1462230311.90129304 Hartree integrate/restrict (8.15004s) started
T12 << 1462230312.19755006 Hartree integrate/restrict (8.44630s) stopped
T12 >> 1462230312.19793606 Atomic (53.58560s) started
T12 >> 1462230312.19947100 XC Correction (0.00073s) started
T12 << 1462230312.19948602 XC Correction (0.00075s) stopped
T12 << 1462230314.66441989 Atomic (56.05209s) stopped
T12 >> 1462230314.66450000 Communicate (146.35800s) started
T12 << 1462230321.31199598 Communicate (153.00549s) stopped
T12 << 1462230321.31202793 Hamiltonian (1123.20166s) stopped
T12 >> 1462230321.31205106 LCAO eigensolver (1452.60601s) started
T12 >> 1462230321.31206393 Potential matrix (22.28947s) started
T12 << 1462230322.27772403 Potential matrix (23.25513s) stopped
T12 >> 1462230322.27779794 DistributedAtomicCorrection (8.82737s) started
T12 << 1462230322.65714407 DistributedAtomicCorrection (9.20672s) stopped
T12 >> 1462230322.65719008 Distribute overlap matrix (151.83188s) started
T12 >> 1462230322.65721107 blocked summation (87.50514s) started
T12 << 1462230326.52643609 blocked summation (91.37436s) stopped
T12 >> 1462230326.53671193 Scalapack redistribute (64.10482s) started
T12 << 1462230329.23585796 Scalapack redistribute (66.80397s) stopped
T12 << 1462230329.23593807 Distribute overlap matrix (158.41063s) stopped
T12 >> 1462230329.24025297 Blacs Orbital Layouts (1229.36131s) started
T12 >> 1462230329.24859810 General diagonalize (1224.96114s) started
T12 << 1462230382.45473289 General diagonalize (1278.16727s) stopped
T12 >> 1462230382.45478010 Redistribute coefs (0.17851s) started
T12 << 1462230382.46258211 Redistribute coefs (0.18632s) stopped
T12 >> 1462230382.46265101 Send coefs to domains (4.02984s) started
T12 << 1462230382.97936296 Send coefs to domains (4.54655s) stopped
T12 << 1462230382.97966790 Blacs Orbital Layouts (1283.10072s) stopped
T12 >> 1462230382.97970009 Calculate projections (40.18519s) started
T12 << 1462230384.72376394 Calculate projections (41.92925s) stopped
T12 << 1462230384.72408605 LCAO eigensolver (1516.01805s) stopped
T12 >> 1462230387.90611506 Density (373.63429s) started
T12 >> 1462230387.90613198 Pseudo density (290.79637s) started
T12 >> 1462230387.90828609 Calculate density matrix (273.16406s) started
T12 << 1462230399.66088009 Calculate density matrix (284.91665s) stopped
T12 >> 1462230399.66092801 Construct density (17.18260s) started
T12 << 1462230400.40767407 Construct density (17.92935s) stopped
T12 >> 1462230400.42262602 Symmetrize density (0.00184s) started
T12 << 1462230400.42268205 Symmetrize density (0.00190s) stopped
T12 << 1462230400.42478704 Pseudo density (303.31503s) stopped
T12 >> 1462230400.42484498 Atomic density matrices (72.46322s) started
T12 << 1462230403.63830495 Atomic density matrices (75.67668s) stopped
T12 >> 1462230403.63833690 Multipole moments (0.18984s) started
T12 << 1462230403.64670897 Multipole moments (0.19821s) stopped
T12 >> 1462230403.64673305 Normalize (0.14931s) started
T12 << 1462230403.65319610 Normalize (0.15577s) stopped
T12 >> 1462230403.65325093 Mix (10.03385s) started
T12 << 1462230404.07283711 Mix (10.45344s) stopped
T12 << 1462230404.07289696 Density (389.80107s) stopped
T12 >> 1462230404.07292604 Hamiltonian (1123.20167s) started
T12 >> 1462230404.07294297 vbar (0.63748s) started
T12 << 1462230404.09952211 vbar (0.66406s) stopped
T12 >> 1462230404.09963894 XC 3D grid (650.95941s) started
T12 >> 1462230404.61804795 van der Waals (628.71975s) started
T12 >> 1462230404.73164511 semilocal (133.27668s) started
T12 << 1462230410.45244908 semilocal (138.99748s) stopped
T12 >> 1462230410.52980804 redistribute (67.17046s) started
T12 << 1462230411.58053708 redistribute (68.22118s) stopped
T12 >> 1462230411.58058190 libvdwxc nonlocal (423.89163s) started
T12 << 1462230430.13142300 libvdwxc nonlocal (442.44247s) stopped
T12 >> 1462230430.13146400 redistribute (68.22122s) started
T12 << 1462230431.79181504 redistribute (69.88157s) stopped
T12 << 1462230431.79284906 van der Waals (655.89455s) stopped
T12 << 1462230432.25589395 XC 3D grid (679.11567s) stopped
T12 >> 1462230432.25595188 Poisson (254.08796s) started
T12 << 1462230436.57023191 Poisson (258.40224s) stopped
T12 >> 1462230436.57039309 Hartree integrate/restrict (8.44635s) started
T12 << 1462230436.61906195 Hartree integrate/restrict (8.49501s) stopped
T12 >> 1462230436.61915803 Hartree integrate/restrict (8.49508s) started
T12 << 1462230436.94097590 Hartree integrate/restrict (8.81690s) stopped
T12 >> 1462230436.94136691 Atomic (56.05211s) started
T12 >> 1462230436.94301701 XC Correction (0.00076s) started
T12 << 1462230436.94304609 XC Correction (0.00079s) stopped
T12 << 1462230439.37715507 Atomic (58.48790s) stopped
T12 >> 1462230439.37723494 Communicate (153.00551s) started
T12 << 1462230446.03610492 Communicate (159.66438s) stopped
T12 << 1462230446.03613091 Hamiltonian (1165.16488s) stopped
T12 >> 1462230446.03615093 LCAO eigensolver (1516.01807s) started
T12 >> 1462230446.03616309 Potential matrix (23.25517s) started
T12 << 1462230446.99280310 Potential matrix (24.21181s) stopped
T12 >> 1462230446.99288893 DistributedAtomicCorrection (9.20676s) started
T12 << 1462230447.37128592 DistributedAtomicCorrection (9.58515s) stopped
T12 >> 1462230447.37133288 Distribute overlap matrix (158.41064s) started
T12 >> 1462230447.37135506 blocked summation (91.37439s) started
T12 << 1462230451.22378206 blocked summation (95.22682s) stopped
T12 >> 1462230451.23369598 Scalapack redistribute (66.80403s) started
T12 << 1462230453.97496104 Scalapack redistribute (69.54529s) stopped
T12 << 1462230453.97503996 Distribute overlap matrix (165.01435s) stopped
T12 >> 1462230453.97919798 Blacs Orbital Layouts (1283.10074s) started
T12 >> 1462230453.98753500 General diagonalize (1278.16731s) started
T12 << 1462230504.28021097 General diagonalize (1328.45999s) stopped
T12 >> 1462230504.28028893 Redistribute coefs (0.18637s) started
T12 << 1462230504.28871107 Redistribute coefs (0.19479s) stopped
T12 >> 1462230504.28880906 Send coefs to domains (4.54658s) started
T12 << 1462230504.39355993 Send coefs to domains (4.65133s) stopped
T12 << 1462230504.39400697 Blacs Orbital Layouts (1333.51555s) stopped
T12 >> 1462230504.39404011 Calculate projections (41.92930s) started
T12 << 1462230506.14481401 Calculate projections (43.68008s) stopped
T12 << 1462230506.14523292 LCAO eigensolver (1576.12715s) stopped
T12 >> 1462230509.32405400 Density (389.80109s) started
T12 >> 1462230509.32406998 Pseudo density (303.31508s) started
T12 >> 1462230509.32659292 Calculate density matrix (284.91668s) started
T12 << 1462230521.10971498 Calculate density matrix (296.69980s) stopped
T12 >> 1462230521.10977197 Construct density (17.92940s) started
T12 << 1462230521.85588598 Construct density (18.67551s) stopped
T12 >> 1462230521.87216496 Symmetrize density (0.00192s) started
T12 << 1462230521.87223196 Symmetrize density (0.00199s) stopped
T12 << 1462230521.87448502 Pseudo density (315.86549s) stopped
T12 >> 1462230521.87455511 Atomic density matrices (75.67671s) started
T12 << 1462230525.08083606 Atomic density matrices (78.88299s) stopped
T12 >> 1462230525.08087206 Multipole moments (0.19823s) started
T12 << 1462230525.08927703 Multipole moments (0.20663s) stopped
T12 >> 1462230525.08930206 Normalize (0.15580s) started
T12 << 1462230525.09697700 Normalize (0.16348s) stopped
T12 >> 1462230525.09702802 Mix (10.45349s) started
T12 << 1462230525.50505590 Mix (10.86152s) stopped
T12 << 1462230525.50508690 Density (405.98212s) stopped
T12 >> 1462230525.50511098 Hamiltonian (1165.16489s) started
T12 >> 1462230525.50512600 vbar (0.66413s) started
T12 << 1462230525.52435303 vbar (0.68335s) stopped
T12 >> 1462230525.52440500 XC 3D grid (679.11571s) started
T12 >> 1462230526.13680911 van der Waals (655.89458s) started
T12 >> 1462230526.25182509 semilocal (138.99759s) started
T12 << 1462230531.99401689 semilocal (144.73978s) stopped
T12 >> 1462230532.06694007 redistribute (69.88162s) started
T12 << 1462230533.11775708 redistribute (70.93244s) stopped
T12 >> 1462230533.11780500 libvdwxc nonlocal (442.44250s) started
T12 << 1462230551.45979500 libvdwxc nonlocal (460.78449s) stopped
T12 >> 1462230551.45985603 redistribute (70.93248s) started
T12 << 1462230553.10029507 redistribute (72.57292s) stopped
T12 << 1462230553.10137010 van der Waals (682.85914s) stopped
T12 << 1462230553.56227207 XC 3D grid (707.15358s) stopped
T12 >> 1462230553.56231093 Poisson (258.40238s) started
T12 << 1462230557.86240411 Poisson (262.70247s) stopped
T12 >> 1462230557.86247897 Hartree integrate/restrict (8.81695s) started
T12 << 1462230557.90664291 Hartree integrate/restrict (8.86112s) stopped
T12 >> 1462230557.90668201 Hartree integrate/restrict (8.86114s) started
T12 << 1462230558.25243998 Hartree integrate/restrict (9.20690s) stopped
T12 >> 1462230558.25278497 Atomic (58.48792s) started
T12 >> 1462230558.25424695 XC Correction (0.00080s) started
T12 << 1462230558.25426197 XC Correction (0.00082s) stopped
T12 << 1462230560.65833402 Atomic (60.89347s) stopped
T12 >> 1462230560.65840602 Communicate (159.66440s) started
T12 << 1462230567.31175399 Communicate (166.31775s) stopped
T12 << 1462230567.31178308 Hamiltonian (1206.97156s) stopped
T12 >> 1462230567.31180501 LCAO eigensolver (1576.12717s) started
T12 >> 1462230567.31181788 Potential matrix (24.21186s) started
T12 << 1462230568.27242208 Potential matrix (25.17247s) stopped
T12 >> 1462230568.27250099 DistributedAtomicCorrection (9.58519s) started
T12 << 1462230568.65468788 DistributedAtomicCorrection (9.96738s) stopped
T12 >> 1462230568.65473700 Distribute overlap matrix (165.01436s) started
T12 >> 1462230568.65476108 blocked summation (95.22685s) started
T12 << 1462230572.51060200 blocked summation (99.08269s) stopped
T12 >> 1462230572.52052093 Scalapack redistribute (69.54535s) started
T12 << 1462230575.24991393 Scalapack redistribute (72.27474s) stopped
T12 << 1462230575.25000691 Distribute overlap matrix (171.60963s) stopped
T12 >> 1462230575.25558496 Blacs Orbital Layouts (1333.51557s) started
T12 >> 1462230575.26380610 General diagonalize (1328.46005s) started
T12 << 1462230629.52085590 General diagonalize (1382.71710s) stopped
T12 >> 1462230629.52090907 Redistribute coefs (0.19487s) started
T12 << 1462230629.52860594 Redistribute coefs (0.20256s) stopped
T12 >> 1462230629.52865505 Send coefs to domains (4.65137s) started
T12 << 1462230629.96978998 Send coefs to domains (5.09251s) stopped
T12 << 1462230629.97000599 Blacs Orbital Layouts (1388.22999s) stopped
T12 >> 1462230629.97003794 Calculate projections (43.68013s) started
T12 << 1462230631.71496105 Calculate projections (45.42506s) stopped
T12 << 1462230631.71537590 LCAO eigensolver (1640.53074s) stopped
T12 >> 1462230634.89645505 Density (405.98213s) started
T12 >> 1462230634.89647007 Pseudo density (315.86555s) started
T12 >> 1462230634.89876890 Calculate density matrix (296.69984s) started
T12 << 1462230646.71100998 Calculate density matrix (308.51208s) stopped
T12 >> 1462230646.71105909 Construct density (18.67557s) started
T12 << 1462230647.45836401 Construct density (19.42287s) stopped
T12 >> 1462230647.47238994 Symmetrize density (0.00200s) started
T12 << 1462230647.47245193 Symmetrize density (0.00206s) stopped
T12 << 1462230647.47459602 Pseudo density (328.44367s) stopped
T12 >> 1462230647.47465396 Atomic density matrices (78.88302s) started
T12 << 1462230650.59191704 Atomic density matrices (82.00028s) stopped
T12 >> 1462230650.59194994 Multipole moments (0.20665s) started
T12 << 1462230650.59999895 Multipole moments (0.21470s) stopped
T12 >> 1462230650.60002398 Normalize (0.16352s) started
T12 << 1462230650.60615897 Normalize (0.16965s) stopped
T12 >> 1462230650.60623193 Mix (10.86155s) started
T12 << 1462230651.05276108 Mix (11.30808s) stopped
T12 << 1462230651.05282211 Density (422.13850s) stopped
T12 >> 1462230651.05285311 Hamiltonian (1206.97158s) started
T12 >> 1462230651.05287099 vbar (0.68338s) started
T12 << 1462230651.07377195 vbar (0.70428s) stopped
T12 >> 1462230651.07387590 XC 3D grid (707.15361s) started
T12 >> 1462230651.57159591 van der Waals (682.85918s) started
T12 >> 1462230651.68501496 semilocal (144.73987s) started
T12 << 1462230657.42952991 semilocal (150.48439s) stopped
T12 >> 1462230657.50727391 redistribute (72.57295s) started
T12 << 1462230658.54718304 redistribute (73.61286s) stopped
T12 >> 1462230658.54724407 libvdwxc nonlocal (460.78454s) started
T12 << 1462230677.13392305 libvdwxc nonlocal (479.37122s) stopped
T12 >> 1462230677.13396406 redistribute (73.61291s) started
T12 << 1462230678.85285497 redistribute (75.33180s) stopped
T12 << 1462230678.85382509 van der Waals (710.14141s) stopped
T12 << 1462230679.31121206 XC 3D grid (735.39094s) stopped
T12 >> 1462230679.31125498 Poisson (262.70253s) started
T12 << 1462230683.66333890 Poisson (267.05461s) stopped
T12 >> 1462230683.66340494 Hartree integrate/restrict (9.20694s) started
T12 << 1462230683.71219897 Hartree integrate/restrict (9.25573s) stopped
T12 >> 1462230683.71224594 Hartree integrate/restrict (9.25576s) started
T12 << 1462230684.02203798 Hartree integrate/restrict (9.56556s) stopped
T12 >> 1462230684.02238297 Atomic (60.89349s) started
T12 >> 1462230684.02393603 XC Correction (0.00083s) started
T12 << 1462230684.02395010 XC Correction (0.00084s) stopped
T12 << 1462230686.46673012 Atomic (63.33784s) stopped
T12 >> 1462230686.46681404 Communicate (166.31777s) started
T12 << 1462230693.12063694 Communicate (172.97159s) stopped
T12 << 1462230693.12066793 Hamiltonian (1249.03939s) stopped
T12 >> 1462230693.12069011 LCAO eigensolver (1640.53076s) started
T12 >> 1462230693.12070203 Potential matrix (25.17251s) started
T12 << 1462230694.08455706 Potential matrix (26.13637s) stopped
T12 >> 1462230694.08464289 DistributedAtomicCorrection (9.96741s) started
T12 << 1462230694.46551299 DistributedAtomicCorrection (10.34828s) stopped
T12 >> 1462230694.46555996 Distribute overlap matrix (171.60964s) started
T12 >> 1462230694.46558094 blocked summation (99.08273s) started
T12 << 1462230698.24821591 blocked summation (102.86536s) stopped
T12 >> 1462230698.25789309 Scalapack redistribute (72.27481s) started
T12 << 1462230701.05766201 Scalapack redistribute (75.07458s) stopped
T12 << 1462230701.05774093 Distribute overlap matrix (178.20182s) stopped
T12 >> 1462230701.06180191 Blacs Orbital Layouts (1388.23001s) started
T12 >> 1462230701.06969595 General diagonalize (1382.71715s) started
T12 << 1462230753.89470506 General diagonalize (1435.54215s) stopped
T12 >> 1462230753.89475203 Redistribute coefs (0.20260s) started
T12 << 1462230753.90222311 Redistribute coefs (0.21007s) stopped
T12 >> 1462230753.90229201 Send coefs to domains (5.09255s) started
T12 << 1462230754.01242304 Send coefs to domains (5.20268s) stopped
T12 << 1462230754.01274395 Blacs Orbital Layouts (1441.18096s) stopped
T12 >> 1462230754.01277494 Calculate projections (45.42510s) started
T12 << 1462230755.75769401 Calculate projections (47.17002s) stopped
T12 << 1462230755.75802708 LCAO eigensolver (1703.16809s) stopped
T12 >> 1462230758.94558692 Density (422.13851s) started
T12 >> 1462230758.94560194 Pseudo density (328.44372s) started
T12 >> 1462230758.94771004 Calculate density matrix (308.51212s) started
T12 << 1462230770.76919103 Calculate density matrix (320.33360s) stopped
T12 >> 1462230770.76923895 Construct density (19.42292s) started
T12 << 1462230771.51495194 Construct density (20.16864s) stopped
T12 >> 1462230771.52940202 Symmetrize density (0.00208s) started
T12 << 1462230771.52945900 Symmetrize density (0.00214s) stopped
T12 << 1462230771.53158307 Pseudo density (341.02970s) stopped
T12 >> 1462230771.53164196 Atomic density matrices (82.00030s) started
T12 << 1462230774.63908100 Atomic density matrices (85.10774s) stopped
T12 >> 1462230774.63911200 Multipole moments (0.21471s) started
T12 << 1462230774.64743805 Multipole moments (0.22304s) stopped
T12 >> 1462230774.64746189 Normalize (0.16971s) started
T12 << 1462230774.65360403 Normalize (0.17585s) stopped
T12 >> 1462230774.65364909 Mix (11.30814s) started
T12 << 1462230775.07816410 Mix (11.73266s) stopped
T12 << 1462230775.07819200 Density (438.27112s) stopped
T12 >> 1462230775.07821488 Hamiltonian (1249.03940s) started
T12 >> 1462230775.07822990 vbar (0.70435s) started
T12 << 1462230775.10773206 vbar (0.73385s) stopped
T12 >> 1462230775.10790610 XC 3D grid (735.39098s) started
T12 >> 1462230775.60205293 van der Waals (710.14143s) started
T12 >> 1462230775.68393803 semilocal (150.48445s) started
T12 << 1462230781.39557195 semilocal (156.19608s) stopped
T12 >> 1462230781.47187090 redistribute (75.33184s) started
T12 << 1462230782.50176597 redistribute (76.36173s) stopped
T12 >> 1462230782.50181293 libvdwxc nonlocal (479.37125s) started
T12 << 1462230800.79318690 libvdwxc nonlocal (497.66262s) stopped
T12 >> 1462230800.79325104 redistribute (76.36176s) started
T12 << 1462230802.46501994 redistribute (78.03353s) stopped
T12 << 1462230802.46605396 van der Waals (737.00543s) stopped
T12 << 1462230802.93363905 XC 3D grid (763.21671s) stopped
T12 >> 1462230802.93370295 Poisson (267.05466s) started
T12 << 1462230806.01548791 Poisson (270.13644s) stopped
T12 >> 1462230806.01555705 Hartree integrate/restrict (9.56559s) started
T12 << 1462230806.05945992 Hartree integrate/restrict (9.60949s) stopped
T12 >> 1462230806.05955791 Hartree integrate/restrict (9.60956s) started
T12 << 1462230806.36606312 Hartree integrate/restrict (9.91606s) stopped
T12 >> 1462230806.36644602 Atomic (63.33786s) started
T12 >> 1462230806.36796904 XC Correction (0.00085s) started
T12 << 1462230806.36798310 XC Correction (0.00087s) stopped
T12 << 1462230808.81204391 Atomic (65.78346s) stopped
T12 >> 1462230808.81212401 Communicate (172.97161s) started
T12 << 1462230815.50665092 Communicate (179.66614s) stopped
T12 << 1462230815.50668597 Hamiltonian (1289.46787s) stopped
T12 >> 1462230815.50671101 LCAO eigensolver (1703.16811s) started
T12 >> 1462230815.50672412 Potential matrix (26.13642s) started
T12 << 1462230816.47093296 Potential matrix (27.10063s) stopped
T12 >> 1462230816.47101903 DistributedAtomicCorrection (10.34832s) started
T12 << 1462230816.85107899 DistributedAtomicCorrection (10.72838s) stopped
T12 >> 1462230816.85112596 Distribute overlap matrix (178.20184s) started
T12 >> 1462230816.85114694 blocked summation (102.86540s) started
T12 << 1462230820.64313197 blocked summation (106.65738s) stopped
T12 >> 1462230820.65233588 Scalapack redistribute (75.07464s) started
T12 << 1462230823.38579512 Scalapack redistribute (77.80810s) stopped
T12 << 1462230823.38587689 Distribute overlap matrix (184.73659s) stopped
T12 >> 1462230823.39003992 Blacs Orbital Layouts (1441.18098s) started
T12 >> 1462230823.39826107 General diagonalize (1435.54219s) started
T12 << 1462230878.57859612 General diagonalize (1490.72253s) stopped
T12 >> 1462230878.57866502 Redistribute coefs (0.21013s) started
T12 << 1462230878.58636498 Redistribute coefs (0.21783s) stopped
T12 >> 1462230878.58643198 Send coefs to domains (5.20271s) started
T12 << 1462230878.93638206 Send coefs to domains (5.55266s) stopped
T12 << 1462230878.93655801 Blacs Orbital Layouts (1496.72749s) stopped
T12 >> 1462230878.93658590 Calculate projections (47.17007s) started
T12 << 1462230880.68109989 Calculate projections (48.91459s) stopped
T12 << 1462230880.68143797 LCAO eigensolver (1768.34284s) stopped
T12 << 1462230883.85746002 SCF-cycle (3584.77928s) stopped
T12 >> 1462230885.82095599 Force calculation (0.00000s) started
T12 >> 1462230885.82098699 LCAO forces (0.00000s) started
T12 >> 1462230885.82131696 Initial (0.00000s) started
T12 << 1462230885.82132792 Initial (0.00001s) stopped
T12 >> 1462230885.82675099 Get density matrix (0.00000s) started
T12 << 1462230894.94927812 Get density matrix (9.12253s) stopped
T12 >> 1462230894.94934392 Potential (0.00000s) started
T12 << 1462230900.92243600 Potential (5.97309s) stopped
T12 >> 1462230900.92249203 Get density matrix (9.12258s) started
T12 << 1462230930.30815101 Get density matrix (38.50824s) stopped
T12 >> 1462230930.30820608 Prepare TCI loop (0.00000s) started
T12 >> 1462230930.30859089 Get neighbors (0.00000s) started
T12 << 1462230932.18197799 Get neighbors (1.87339s) stopped
T12 >> 1462230932.18203211 broadcast dH (0.00000s) started
T12 << 1462230932.19256592 broadcast dH (0.01054s) stopped
T12 << 1462230932.19260812 Prepare TCI loop (1.88440s) stopped
T12 >> 1462230932.19262505 Not so complicated loop (0.00000s) started
T12 << 1462230932.31670189 Not so complicated loop (0.12408s) stopped
T12 >> 1462230932.40447402 Complicated loop (0.00000s) started
T12 << 1462230948.62584090 Complicated loop (16.22137s) stopped
T12 >> 1462230948.62593389 Wait for sum (0.00000s) started
T12 << 1462230957.46043706 Wait for sum (8.83450s) stopped
T12 << 1462230957.46047306 LCAO forces (71.63949s) stopped
T12 << 1462230958.26339006 Force calculation (72.44244s) stopped
T12 >> 1462230958.28067493 Initialization (112.10145s) started
T12 << 1462230958.28082800 Initialization (112.10160s) stopped
T12 >> 1462230958.28102708 Initialization (112.10162s) started
T12 << 1462230958.28114200 Initialization (112.10173s) stopped
T12 >> 1462230958.28126311 Initialization (112.10175s) started
T12 << 1462230958.28137493 Initialization (112.10186s) stopped
T12 >> 1462230970.98000193 Initialization (112.10188s) started
T12 >> 1462230971.08236790 Basic WFS set positions (0.07780s) started
T12 >> 1462230971.08239198 Redistribute (0.00000s) started
T12 << 1462230971.08539200 Redistribute (0.00300s) stopped
T12 << 1462230971.16277695 Basic WFS set positions (0.15821s) stopped
T12 >> 1462230971.16280508 Basis functions set positions (1.49901s) started
T12 << 1462230972.65722990 Basis functions set positions (2.99344s) stopped
T12 >> 1462230972.66583896 TCI: Calculate S, T, P (13.82057s) started
T12 << 1462230986.37715292 TCI: Calculate S, T, P (27.53189s) stopped
T12 >> 1462230986.37720490 blocked summation (13.99051s) started
T12 << 1462230999.95034099 blocked summation (27.56364s) stopped
T12 >> 1462230999.95917892 Scalapack redistribute (5.58507s) started
T12 << 1462231005.13776302 Scalapack redistribute (10.76366s) stopped
T12 >> 1462231005.13880301 blocked summation (27.56368s) started
T12 << 1462231006.17747593 blocked summation (28.60236s) stopped
T12 >> 1462231006.18709493 Scalapack redistribute (10.76373s) started
T12 << 1462231006.39649391 Scalapack redistribute (10.97312s) stopped
T12 >> 1462231006.39817905 Redistribute (0.00000s) started
T12 << 1462231006.39871693 Redistribute (0.00054s) stopped
T12 >> 1462231007.95759797 Redistribute (0.00056s) started
T12 << 1462231007.95804095 Redistribute (0.00100s) stopped
T12 >> 1462231007.97402692 LCAO WFS Initialize (70.63887s) started
T12 >> 1462231007.97411394 Density initialize from wavefunctions (0.00000s) started
T12 >> 1462231007.97931409 Calculate density matrix (0.00000s) started
T12 << 1462231017.78386092 Calculate density matrix (9.80455s) stopped
T12 >> 1462231017.78390908 Construct density (0.00000s) started
T12 << 1462231018.53471208 Construct density (0.75081s) stopped
T12 >> 1462231018.55171490 Symmetrize density (0.00001s) started
T12 << 1462231018.55177307 Symmetrize density (0.00006s) stopped
T12 << 1462231021.94019198 Density initialize from wavefunctions (13.96608s) stopped
T12 >> 1462231021.94040489 Hamiltonian (69.72585s) started
T12 >> 1462231021.94042206 vbar (0.03822s) started
T12 << 1462231021.97055602 vbar (0.06835s) stopped
T12 >> 1462231021.97078204 XC 3D grid (27.41363s) started
T12 >> 1462231022.44477201 van der Waals (26.49029s) started
T12 >> 1462231022.55616999 semilocal (5.81051s) started
T12 << 1462231028.41138601 semilocal (11.66572s) stopped
T12 >> 1462231028.49172306 redistribute (2.72361s) started
T12 << 1462231029.45291710 redistribute (3.68481s) stopped
T12 >> 1462231029.45296407 libvdwxc nonlocal (17.76127s) started
T12 << 1462231047.66039801 libvdwxc nonlocal (35.96871s) stopped
T12 >> 1462231047.66044497 redistribute (3.68484s) started
T12 << 1462231049.32782698 redistribute (5.35222s) stopped
T12 << 1462231049.32930493 van der Waals (53.37482s) stopped
T12 << 1462231049.78517103 XC 3D grid (55.22802s) stopped
T12 >> 1462231049.78521204 Poisson (32.73420s) started
T12 << 1462231072.25342298 Poisson (55.20241s) stopped
T12 >> 1462231072.25349092 Hartree integrate/restrict (0.40124s) started
T12 << 1462231072.29529309 Hartree integrate/restrict (0.44304s) stopped
T12 >> 1462231072.29535389 Hartree integrate/restrict (0.44308s) started
T12 << 1462231072.61670399 Hartree integrate/restrict (0.76443s) stopped
T12 >> 1462231072.61721396 Atomic (2.46578s) started
T12 >> 1462231072.61987305 XC Correction (0.00004s) started
T12 << 1462231072.61992788 XC Correction (0.00010s) stopped
T12 << 1462231074.93394494 Atomic (4.78251s) stopped
T12 >> 1462231074.93410492 Communicate (6.64787s) started
T12 << 1462231085.71154690 Communicate (17.42531s) stopped
T12 << 1462231085.71157908 Hamiltonian (133.49702s) stopped
T12 << 1462231085.71159196 LCAO WFS Initialize (148.37644s) stopped
T12 << 1462231085.72351408 Initialization (226.84539s) stopped
T12 >> 1462231085.74849391 SCF-cycle (3584.77930s) started
T12 >> 1462231085.74852896 LCAO eigensolver (1768.34286s) started
T12 >> 1462231085.74854112 Potential matrix (27.10068s) started
T12 << 1462231086.71580696 Potential matrix (28.06794s) stopped
T12 >> 1462231086.71587896 DistributedAtomicCorrection (10.72842s) started
T12 << 1462231087.09078312 DistributedAtomicCorrection (11.10333s) stopped
T12 >> 1462231087.09084010 Distribute overlap matrix (184.73660s) started
T12 >> 1462231087.09086299 blocked summation (106.65741s) started
T12 << 1462231090.95285010 blocked summation (110.51940s) stopped
T12 >> 1462231090.96309900 Scalapack redistribute (77.80816s) started
T12 << 1462231093.96797991 Scalapack redistribute (80.81304s) stopped
T12 << 1462231093.96804404 Distribute overlap matrix (191.61380s) stopped
T12 >> 1462231093.97305799 Blacs Orbital Layouts (1496.72751s) started
T12 >> 1462231093.98175311 General diagonalize (1490.72258s) started
T12 << 1462231148.57990694 General diagonalize (1545.32074s) stopped
T12 >> 1462231148.57995605 Redistribute coefs (0.21788s) started
T12 << 1462231148.58754301 Redistribute coefs (0.22547s) stopped
T12 >> 1462231148.58758712 Send coefs to domains (5.55269s) started
T12 << 1462231148.95916295 Send coefs to domains (5.92427s) stopped
T12 << 1462231148.95958805 Blacs Orbital Layouts (1551.71404s) stopped
T12 >> 1462231148.95961499 Calculate projections (48.91463s) started
T12 << 1462231150.66019702 Calculate projections (50.61521s) stopped
T12 << 1462231150.66052508 LCAO eigensolver (1833.25485s) stopped
T12 >> 1462231153.85811210 Density (438.27113s) started
T12 >> 1462231153.85812593 Pseudo density (341.02975s) started
T12 >> 1462231153.86057091 Calculate density matrix (320.33363s) started
T12 << 1462231165.58343005 Calculate density matrix (332.05649s) stopped
T12 >> 1462231165.58347797 Construct density (20.16869s) started
T12 << 1462231166.33297992 Construct density (20.91819s) stopped
T12 >> 1462231166.34981608 Symmetrize density (0.00215s) started
T12 << 1462231166.34987903 Symmetrize density (0.00222s) stopped
T12 << 1462231166.35201097 Pseudo density (353.52363s) stopped
T12 >> 1462231166.35206795 Atomic density matrices (85.10777s) started
T12 << 1462231169.57433391 Atomic density matrices (88.33003s) stopped
T12 >> 1462231169.57436705 Multipole moments (0.22306s) started
T12 << 1462231169.58288908 Multipole moments (0.23158s) stopped
T12 >> 1462231169.58291793 Normalize (0.17588s) started
T12 << 1462231169.58994198 Normalize (0.18291s) stopped
T12 >> 1462231169.58998489 Mix (11.73268s) started
T12 << 1462231169.92037892 Mix (12.06308s) stopped
T12 << 1462231169.92042994 Density (454.33345s) stopped
T12 >> 1462231169.92045307 Hamiltonian (1289.46788s) started
T12 >> 1462231169.92046690 vbar (0.73395s) started
T12 << 1462231169.94039106 vbar (0.75387s) stopped
T12 >> 1462231169.94049501 XC 3D grid (763.21676s) started
T12 >> 1462231170.44278002 van der Waals (737.00546s) started
T12 >> 1462231170.55505109 semilocal (156.19615s) started
T12 << 1462231176.28720903 semilocal (161.92831s) stopped
T12 >> 1462231176.36917710 redistribute (78.03357s) started
T12 << 1462231177.44163299 redistribute (79.10602s) stopped
T12 >> 1462231177.44167900 libvdwxc nonlocal (497.66267s) started
T12 << 1462231195.72529602 libvdwxc nonlocal (515.94629s) stopped
T12 >> 1462231195.72533703 redistribute (79.10605s) started
T12 << 1462231197.38784695 redistribute (80.76856s) stopped
T12 << 1462231197.38906598 van der Waals (763.95175s) stopped
T12 << 1462231197.83589196 XC 3D grid (791.11216s) stopped
T12 >> 1462231197.83596492 Poisson (270.13649s) started
T12 << 1462231220.39575791 Poisson (292.69629s) stopped
T12 >> 1462231220.39582801 Hartree integrate/restrict (9.91612s) started
T12 << 1462231220.43954206 Hartree integrate/restrict (9.95983s) stopped
T12 >> 1462231220.43964195 Hartree integrate/restrict (9.95990s) started
T12 << 1462231220.75829506 Hartree integrate/restrict (10.27855s) stopped
T12 >> 1462231220.75887108 Atomic (65.78348s) started
T12 >> 1462231220.76188302 XC Correction (0.00088s) started
T12 << 1462231220.76192808 XC Correction (0.00092s) stopped
T12 << 1462231223.12524104 Atomic (68.14985s) stopped
T12 >> 1462231223.12540698 Communicate (179.66616s) started
T12 << 1462231231.79400110 Communicate (188.33476s) stopped
T12 << 1462231231.79403305 Hamiltonian (1351.34146s) stopped
T12 >> 1462231231.79405594 LCAO eigensolver (1833.25487s) started
T12 >> 1462231231.79406905 Potential matrix (28.06799s) started
T12 << 1462231232.76365709 Potential matrix (29.03757s) stopped
T12 >> 1462231232.76372695 DistributedAtomicCorrection (11.10337s) started
T12 << 1462231233.13418198 DistributedAtomicCorrection (11.47382s) stopped
T12 >> 1462231233.13423300 Distribute overlap matrix (191.61382s) started
T12 >> 1462231233.13425398 blocked summation (110.51943s) started
T12 << 1462231236.97071409 blocked summation (114.35589s) stopped
T12 >> 1462231236.98047304 Scalapack redistribute (80.81308s) started
T12 << 1462231239.82300496 Scalapack redistribute (83.65561s) stopped
T12 << 1462231239.82308197 Distribute overlap matrix (198.30267s) stopped
T12 >> 1462231239.82755303 Blacs Orbital Layouts (1551.71406s) started
T12 >> 1462231239.83639503 General diagonalize (1545.32078s) started
T12 << 1462231288.68233204 General diagonalize (1594.16671s) stopped
T12 >> 1462231288.68240595 Redistribute coefs (0.22550s) started
T12 << 1462231288.69107008 Redistribute coefs (0.23416s) stopped
T12 >> 1462231288.69111896 Send coefs to domains (5.92430s) started
T12 << 1462231288.83901811 Send coefs to domains (6.07220s) stopped
T12 << 1462231288.83948112 Blacs Orbital Layouts (1600.72599s) stopped
T12 >> 1462231288.83952689 Calculate projections (50.61526s) started
T12 << 1462231290.55439210 Calculate projections (52.33013s) stopped
T12 << 1462231290.55483389 LCAO eigensolver (1892.01565s) stopped
T12 >> 1462231293.74619293 Density (454.33346s) started
T12 >> 1462231293.74620795 Pseudo density (353.52368s) started
T12 >> 1462231293.74833703 Calculate density matrix (332.05652s) started
T12 << 1462231305.53742409 Calculate density matrix (343.84561s) stopped
T12 >> 1462231305.53747892 Construct density (20.91824s) started
T12 << 1462231306.28649092 Construct density (21.66725s) stopped
T12 >> 1462231306.30123305 Symmetrize density (0.00224s) started
T12 << 1462231306.30130196 Symmetrize density (0.00230s) stopped
T12 << 1462231306.30351305 Pseudo density (366.08098s) stopped
T12 >> 1462231306.30358195 Atomic density matrices (88.33006s) started
T12 << 1462231309.46298194 Atomic density matrices (91.48946s) stopped
T12 >> 1462231309.46301889 Multipole moments (0.23160s) started
T12 << 1462231309.47178698 Multipole moments (0.24036s) stopped
T12 >> 1462231309.47182107 Normalize (0.18294s) started
T12 << 1462231309.47858310 Normalize (0.18970s) stopped
T12 >> 1462231309.47863412 Mix (12.06313s) started
T12 << 1462231309.87656093 Mix (12.46105s) stopped
T12 << 1462231309.87660289 Density (470.46387s) stopped
T12 >> 1462231309.87662697 Hamiltonian (1351.34148s) started
T12 >> 1462231309.87664199 vbar (0.75393s) started
T12 << 1462231309.89954805 vbar (0.77684s) stopped
T12 >> 1462231309.89969206 XC 3D grid (791.11222s) started
T12 >> 1462231310.39219689 van der Waals (763.95180s) started
T12 >> 1462231310.50679207 semilocal (161.92841s) started
T12 << 1462231316.27668309 semilocal (167.69831s) stopped
T12 >> 1462231316.35238695 redistribute (80.76860s) started
T12 << 1462231317.34503007 redistribute (81.76124s) stopped
T12 >> 1462231317.34510207 libvdwxc nonlocal (515.94632s) started
T12 << 1462231335.41837096 libvdwxc nonlocal (534.01959s) stopped
T12 >> 1462231335.41845703 redistribute (81.76130s) started
T12 << 1462231337.30964589 redistribute (83.65249s) stopped
T12 << 1462231337.31103802 van der Waals (790.87064s) stopped
T12 << 1462231337.76191211 XC 3D grid (818.97444s) stopped
T12 >> 1462231337.76196098 Poisson (292.69634s) started
T12 << 1462231356.11102009 Poisson (311.04540s) stopped
T12 >> 1462231356.11111093 Hartree integrate/restrict (10.27863s) started
T12 << 1462231356.14846301 Hartree integrate/restrict (10.31599s) stopped
T12 >> 1462231356.14854193 Hartree integrate/restrict (10.31603s) started
T12 << 1462231356.47085690 Hartree integrate/restrict (10.63835s) stopped
T12 >> 1462231356.47122502 Atomic (68.14987s) started
T12 >> 1462231356.47299409 XC Correction (0.00094s) started
T12 << 1462231356.47300911 XC Correction (0.00095s) stopped
T12 << 1462231358.84226298 Atomic (70.52091s) stopped
T12 >> 1462231358.84243107 Communicate (188.33478s) started
T12 << 1462231366.25317907 Communicate (195.74552s) stopped
T12 << 1462231366.25322104 Hamiltonian (1407.71807s) stopped
T12 >> 1462231366.25324702 LCAO eigensolver (1892.01567s) started
T12 >> 1462231366.25325990 Potential matrix (29.03762s) started
T12 << 1462231367.21586204 Potential matrix (30.00022s) stopped
T12 >> 1462231367.21594095 DistributedAtomicCorrection (11.47386s) started
T12 << 1462231367.58860612 DistributedAtomicCorrection (11.84653s) stopped
T12 >> 1462231367.58866310 Distribute overlap matrix (198.30268s) started
T12 >> 1462231367.58868599 blocked summation (114.35592s) started
T12 << 1462231371.34954906 blocked summation (118.11678s) stopped
T12 >> 1462231371.35963297 Scalapack redistribute (83.65564s) started
T12 << 1462231374.26621199 Scalapack redistribute (86.56222s) stopped
T12 << 1462231374.26633406 Distribute overlap matrix (204.98035s) stopped
T12 >> 1462231374.27133489 Blacs Orbital Layouts (1600.72601s) started
T12 >> 1462231374.27988291 General diagonalize (1594.16678s) started
T12 << 1462231423.34706092 General diagonalize (1643.23396s) stopped
T12 >> 1462231423.34714007 Redistribute coefs (0.23420s) started
T12 << 1462231423.35562897 Redistribute coefs (0.24269s) stopped
T12 >> 1462231423.35566998 Send coefs to domains (6.07224s) started
T12 << 1462231423.44260001 Send coefs to domains (6.15917s) stopped
T12 << 1462231423.44304109 Blacs Orbital Layouts (1649.89772s) stopped
T12 >> 1462231423.44307899 Calculate projections (52.33019s) started
T12 << 1462231425.15346909 Calculate projections (54.04058s) stopped
T12 << 1462231425.15393996 LCAO eigensolver (1950.91636s) stopped
T12 >> 1462231428.34381509 Density (470.46388s) started
T12 >> 1462231428.34383011 Pseudo density (366.08104s) started
T12 >> 1462231428.34695792 Calculate density matrix (343.84565s) started
T12 << 1462231441.18950105 Calculate density matrix (356.68819s) stopped
T12 >> 1462231441.18954706 Construct density (21.66731s) started
T12 << 1462231441.93982196 Construct density (22.41759s) stopped
T12 >> 1462231441.95690608 Symmetrize density (0.00232s) started
T12 << 1462231441.95696998 Symmetrize density (0.00239s) stopped
T12 << 1462231441.95915198 Pseudo density (379.69636s) stopped
T12 >> 1462231441.95920897 Atomic density matrices (91.48949s) started
T12 << 1462231445.11631393 Atomic density matrices (94.64659s) stopped
T12 >> 1462231445.11634493 Multipole moments (0.24038s) started
T12 << 1462231445.12523007 Multipole moments (0.24926s) stopped
T12 >> 1462231445.12525511 Normalize (0.18974s) started
T12 << 1462231445.13425112 Normalize (0.19873s) stopped
T12 >> 1462231445.13430405 Mix (12.46110s) started
T12 << 1462231445.52254510 Mix (12.84934s) stopped
T12 << 1462231445.52258205 Density (487.64265s) stopped
T12 >> 1462231445.52260995 Hamiltonian (1407.71808s) started
T12 >> 1462231445.52262712 vbar (0.77692s) started
T12 << 1462231445.56114006 vbar (0.81544s) stopped
T12 >> 1462231445.56124496 XC 3D grid (818.97448s) started
T12 >> 1462231446.03984594 van der Waals (790.87068s) started
T12 >> 1462231446.15128803 semilocal (167.69836s) started
T12 << 1462231451.98464394 semilocal (173.53172s) stopped
T12 >> 1462231452.06214499 redistribute (83.65253s) started
T12 << 1462231453.01073289 redistribute (84.60112s) stopped
T12 >> 1462231453.01078200 libvdwxc nonlocal (534.01965s) started
T12 << 1462231471.70138693 libvdwxc nonlocal (552.71025s) stopped
T12 >> 1462231471.70145106 redistribute (84.60115s) started
T12 << 1462231473.39449501 redistribute (86.29419s) stopped
T12 << 1462231473.39600396 van der Waals (818.22684s) stopped
T12 << 1462231473.85103512 XC 3D grid (847.26427s) stopped
T12 >> 1462231473.85109210 Poisson (311.04547s) started
T12 << 1462231484.01093006 Poisson (321.20530s) stopped
T12 >> 1462231484.01100111 Hartree integrate/restrict (10.63840s) started
T12 << 1462231484.06181002 Hartree integrate/restrict (10.68921s) stopped
T12 >> 1462231484.06185508 Hartree integrate/restrict (10.68924s) started
T12 << 1462231484.38096905 Hartree integrate/restrict (11.00835s) stopped
T12 >> 1462231484.38130903 Atomic (70.52093s) started
T12 >> 1462231484.38301396 XC Correction (0.00096s) started
T12 << 1462231484.38303089 XC Correction (0.00098s) stopped
T12 << 1462231486.75354695 Atomic (72.89317s) stopped
T12 >> 1462231486.75369501 Communicate (195.74555s) started
T12 << 1462231493.71191597 Communicate (202.70377s) stopped
T12 << 1462231493.71194696 Hamiltonian (1455.90742s) stopped
T12 >> 1462231493.71197200 LCAO eigensolver (1950.91638s) started
T12 >> 1462231493.71198511 Potential matrix (30.00026s) started
T12 << 1462231494.68045497 Potential matrix (30.96873s) stopped
T12 >> 1462231494.68052602 DistributedAtomicCorrection (11.84657s) started
T12 << 1462231495.05714107 DistributedAtomicCorrection (12.22318s) stopped
T12 >> 1462231495.05719399 Distribute overlap matrix (204.98036s) started
T12 >> 1462231495.05721498 blocked summation (118.11684s) started
T12 << 1462231498.87490797 blocked summation (121.93453s) stopped
T12 >> 1462231498.88490009 Scalapack redistribute (86.56230s) started
T12 << 1462231501.75300193 Scalapack redistribute (89.43040s) stopped
T12 << 1462231501.75311399 Distribute overlap matrix (211.67628s) stopped
T12 >> 1462231501.75805402 Blacs Orbital Layouts (1649.89774s) started
T12 >> 1462231501.76656199 General diagonalize (1643.23402s) started
T12 << 1462231553.90027404 General diagonalize (1695.36774s) stopped
T12 >> 1462231553.90034604 Redistribute coefs (0.24272s) started
T12 << 1462231553.90815210 Redistribute coefs (0.25053s) stopped
T12 >> 1462231553.90819407 Send coefs to domains (6.15920s) started
T12 << 1462231554.07923508 Send coefs to domains (6.33024s) stopped
T12 << 1462231554.07971692 Blacs Orbital Layouts (1702.21940s) stopped
T12 >> 1462231554.07975507 Calculate projections (54.04063s) started
T12 << 1462231555.79022694 Calculate projections (55.75110s) stopped
T12 << 1462231555.79056311 LCAO eigensolver (2012.99497s) stopped
T12 >> 1462231558.98339605 Density (487.64266s) started
T12 >> 1462231558.98340988 Pseudo density (379.69641s) started
T12 >> 1462231558.98569489 Calculate density matrix (356.68822s) started
T12 << 1462231570.93396091 Calculate density matrix (368.63649s) stopped
T12 >> 1462231570.93400788 Construct density (22.41764s) started
T12 << 1462231571.68472791 Construct density (23.16836s) stopped
T12 >> 1462231571.70126796 Symmetrize density (0.00240s) started
T12 << 1462231571.70132494 Symmetrize density (0.00246s) stopped
T12 << 1462231571.70351100 Pseudo density (392.41651s) stopped
T12 >> 1462231571.70356703 Atomic density matrices (94.64662s) started
T12 << 1462231574.84499907 Atomic density matrices (97.78805s) stopped
T12 >> 1462231574.84503102 Multipole moments (0.24928s) started
T12 << 1462231574.85329700 Multipole moments (0.25754s) stopped
T12 >> 1462231574.85332108 Normalize (0.19877s) started
T12 << 1462231574.86104202 Normalize (0.20649s) stopped
T12 >> 1462231574.86108804 Mix (12.84937s) started
T12 << 1462231575.32353401 Mix (13.31182s) stopped
T12 << 1462231575.32359099 Density (503.98286s) stopped
T12 >> 1462231575.32361889 Hamiltonian (1455.90743s) started
T12 >> 1462231575.32363605 vbar (0.81550s) started
T12 << 1462231575.34354711 vbar (0.83541s) stopped
T12 >> 1462231575.34365106 XC 3D grid (847.26432s) started
T12 >> 1462231575.92292500 van der Waals (818.22691s) started
T12 >> 1462231576.03513408 semilocal (173.53180s) started
T12 << 1462231581.79795408 semilocal (179.29462s) stopped
T12 >> 1462231581.86965203 redistribute (86.29423s) started
T12 << 1462231582.88289905 redistribute (87.30748s) stopped
T12 >> 1462231582.88294291 libvdwxc nonlocal (552.71030s) started
T12 << 1462231601.70768404 libvdwxc nonlocal (571.53504s) stopped
T12 >> 1462231601.70775008 redistribute (87.30751s) started
T12 << 1462231603.50221109 redistribute (89.10197s) stopped
T12 << 1462231603.50353098 van der Waals (845.80751s) stopped
T12 << 1462231603.95550203 XC 3D grid (875.87617s) stopped
T12 >> 1462231603.95554805 Poisson (321.20535s) started
T12 << 1462231618.30958700 Poisson (335.55939s) stopped
T12 >> 1462231618.30965590 Hartree integrate/restrict (11.00838s) started
T12 << 1462231618.35398793 Hartree integrate/restrict (11.05271s) stopped
T12 >> 1462231618.35402703 Hartree integrate/restrict (11.05274s) started
T12 << 1462231618.68514609 Hartree integrate/restrict (11.38385s) stopped
T12 >> 1462231618.68549109 Atomic (72.89319s) started
T12 >> 1462231618.68752408 XC Correction (0.00099s) started
T12 << 1462231618.68756604 XC Correction (0.00103s) stopped
T12 << 1462231621.05308604 Atomic (75.26079s) stopped
T12 >> 1462231621.05321693 Communicate (202.70379s) started
T12 << 1462231627.94432306 Communicate (209.59490s) stopped
T12 << 1462231627.94435501 Hamiltonian (1508.52817s) stopped
T12 >> 1462231627.94437909 LCAO eigensolver (2012.99499s) started
T12 >> 1462231627.94439197 Potential matrix (30.96877s) started
T12 << 1462231628.92257690 Potential matrix (31.94696s) stopped
T12 >> 1462231628.92266202 DistributedAtomicCorrection (12.22322s) started
T12 << 1462231629.29657507 DistributedAtomicCorrection (12.59713s) stopped
T12 >> 1462231629.29662299 Distribute overlap matrix (211.67630s) started
T12 >> 1462231629.29664397 blocked summation (121.93456s) started
T12 << 1462231633.12398601 blocked summation (125.76190s) stopped
T12 >> 1462231633.13434911 Scalapack redistribute (89.43046s) started
T12 << 1462231636.02628112 Scalapack redistribute (92.32240s) stopped
T12 << 1462231636.02635503 Distribute overlap matrix (218.40603s) stopped
T12 >> 1462231636.03086209 Blacs Orbital Layouts (1702.21942s) started
T12 >> 1462231636.03983998 General diagonalize (1695.36780s) started
T12 << 1462231687.07678390 General diagonalize (1746.40474s) stopped
T12 >> 1462231687.07687211 Redistribute coefs (0.25056s) started
T12 << 1462231687.08631992 Redistribute coefs (0.26001s) stopped
T12 >> 1462231687.08637404 Send coefs to domains (6.33027s) started
T12 << 1462231687.19164801 Send coefs to domains (6.43554s) stopped
T12 << 1462231687.19206095 Blacs Orbital Layouts (1753.38062s) stopped
T12 >> 1462231687.19210410 Calculate projections (55.75115s) started
T12 << 1462231688.90830493 Calculate projections (57.46735s) stopped
T12 << 1462231688.90870500 LCAO eigensolver (2073.95931s) stopped
T12 >> 1462231692.10428596 Density (503.98287s) started
T12 >> 1462231692.10430098 Pseudo density (392.41655s) started
T12 >> 1462231692.10658908 Calculate density matrix (368.63652s) started
T12 << 1462231703.91003489 Calculate density matrix (380.43996s) stopped
T12 >> 1462231703.91008997 Construct density (23.16841s) started
T12 << 1462231704.65859008 Construct density (23.91691s) stopped
T12 >> 1462231704.67273998 Symmetrize density (0.00248s) started
T12 << 1462231704.67281199 Symmetrize density (0.00255s) stopped
T12 << 1462231704.67499590 Pseudo density (404.98725s) stopped
T12 >> 1462231704.67506409 Atomic density matrices (97.78807s) started
T12 << 1462231707.81474710 Atomic density matrices (100.92776s) stopped
T12 >> 1462231707.81478310 Multipole moments (0.25756s) started
T12 << 1462231707.82365990 Multipole moments (0.26644s) stopped
T12 >> 1462231707.82368398 Normalize (0.20652s) started
T12 << 1462231707.83041310 Normalize (0.21325s) stopped
T12 >> 1462231707.83048391 Mix (13.31187s) started
T12 << 1462231708.26120090 Mix (13.74259s) stopped
T12 << 1462231708.26124191 Density (520.13983s) stopped
T12 >> 1462231708.26126695 Hamiltonian (1508.52818s) started
T12 >> 1462231708.26128101 vbar (0.83547s) started
T12 << 1462231708.28470492 vbar (0.85890s) stopped
T12 >> 1462231708.28481102 XC 3D grid (875.87620s) started
T12 >> 1462231708.77583003 van der Waals (845.80755s) started
T12 >> 1462231708.88652897 semilocal (179.29473s) started
T12 << 1462231714.60652494 semilocal (185.01473s) stopped
T12 >> 1462231714.68618894 redistribute (89.10202s) started
T12 << 1462231715.77853489 redistribute (90.19436s) stopped
T12 >> 1462231715.77860498 libvdwxc nonlocal (571.53509s) started
T12 << 1462231734.33651400 libvdwxc nonlocal (590.09300s) stopped
T12 >> 1462231734.33657289 redistribute (90.19442s) started
T12 << 1462231736.12601590 redistribute (91.98386s) stopped
T12 << 1462231736.12708807 van der Waals (873.15880s) stopped
T12 << 1462231736.58365607 XC 3D grid (904.17505s) stopped
T12 >> 1462231736.58371091 Poisson (335.55944s) started
T12 << 1462231742.32485104 Poisson (341.30058s) stopped
T12 >> 1462231742.32496595 Hartree integrate/restrict (11.38389s) started
T12 << 1462231742.36649299 Hartree integrate/restrict (11.42541s) stopped
T12 >> 1462231742.36658192 Hartree integrate/restrict (11.42547s) started
T12 << 1462231742.68292499 Hartree integrate/restrict (11.74182s) stopped
T12 >> 1462231742.68329692 Atomic (75.26081s) started
T12 >> 1462231742.68498302 XC Correction (0.00105s) started
T12 << 1462231742.68499804 XC Correction (0.00106s) stopped
T12 << 1462231745.06033111 Atomic (77.63784s) stopped
T12 >> 1462231745.06045508 Communicate (209.59492s) started
T12 << 1462231751.90723991 Communicate (216.44170s) stopped
T12 << 1462231751.90727401 Hamiltonian (1552.17419s) stopped
T12 >> 1462231751.90729809 LCAO eigensolver (2073.95933s) started
T12 >> 1462231751.90731096 Potential matrix (31.94701s) started
T12 << 1462231752.88214493 Potential matrix (32.92184s) stopped
T12 >> 1462231752.88221598 DistributedAtomicCorrection (12.59717s) started
T12 << 1462231753.25716305 DistributedAtomicCorrection (12.97212s) stopped
T12 >> 1462231753.25721788 Distribute overlap matrix (218.40604s) started
T12 >> 1462231753.25723791 blocked summation (125.76193s) started
T12 << 1462231757.05866289 blocked summation (129.56336s) stopped
T12 >> 1462231757.06887507 Scalapack redistribute (92.32243s) started
T12 << 1462231759.92229795 Scalapack redistribute (95.17585s) stopped
T12 << 1462231759.92239690 Distribute overlap matrix (225.07122s) stopped
T12 >> 1462231759.92707992 Blacs Orbital Layouts (1753.38064s) started
T12 >> 1462231759.93649006 General diagonalize (1746.40482s) started
T12 << 1462231809.21306705 General diagonalize (1795.68139s) stopped
T12 >> 1462231809.21313691 Redistribute coefs (0.26005s) started
T12 << 1462231809.22064710 Redistribute coefs (0.26756s) stopped
T12 >> 1462231809.22071409 Send coefs to domains (6.43558s) started
T12 << 1462231809.48044109 Send coefs to domains (6.69531s) stopped
T12 << 1462231809.48071408 Blacs Orbital Layouts (1802.93427s) stopped
T12 >> 1462231809.48075294 Calculate projections (57.46741s) started
T12 << 1462231811.18716002 Calculate projections (59.17382s) stopped
T12 << 1462231811.18750000 LCAO eigensolver (2133.23953s) stopped
T12 >> 1462231814.38839006 Density (520.13984s) started
T12 >> 1462231814.38840604 Pseudo density (404.98730s) started
T12 >> 1462231814.39073396 Calculate density matrix (380.44000s) started
T12 << 1462231827.22373295 Calculate density matrix (393.27300s) stopped
T12 >> 1462231827.22378206 Construct density (23.91697s) started
T12 << 1462231827.97500896 Construct density (24.66820s) stopped
T12 >> 1462231827.99149299 Symmetrize density (0.00257s) started
T12 << 1462231827.99155498 Symmetrize density (0.00263s) stopped
T12 << 1462231827.99374390 Pseudo density (418.59264s) stopped
T12 >> 1462231827.99380708 Atomic density matrices (100.92778s) started
T12 << 1462231831.17734504 Atomic density matrices (104.11132s) stopped
T12 >> 1462231831.17737889 Multipole moments (0.26645s) started
T12 << 1462231831.18626690 Multipole moments (0.27534s) stopped
T12 >> 1462231831.18629098 Normalize (0.21331s) started
T12 << 1462231831.19326305 Normalize (0.22028s) stopped
T12 >> 1462231831.19330597 Mix (13.74263s) started
T12 << 1462231831.61944509 Mix (14.16877s) stopped
T12 << 1462231831.61950493 Density (537.37095s) stopped
T12 >> 1462231831.61953306 Hamiltonian (1552.17420s) started
T12 >> 1462231831.61954904 vbar (0.85896s) started
T12 << 1462231831.64481807 vbar (0.88423s) stopped
T12 >> 1462231831.64490891 XC 3D grid (904.17509s) started
T12 >> 1462231832.19197202 van der Waals (873.15882s) started
T12 >> 1462231832.30243397 semilocal (185.01480s) started
T12 << 1462231838.03970098 semilocal (190.75207s) stopped
T12 >> 1462231838.11515188 redistribute (91.98391s) started
T12 << 1462231839.14930105 redistribute (93.01806s) stopped
T12 >> 1462231839.14934611 libvdwxc nonlocal (590.09305s) started
T12 << 1462231857.78135610 libvdwxc nonlocal (608.72506s) stopped
T12 >> 1462231857.78141999 redistribute (93.01809s) started
T12 << 1462231859.42137408 redistribute (94.65804s) stopped
T12 << 1462231859.42249799 van der Waals (900.38935s) stopped
T12 << 1462231859.87444806 XC 3D grid (932.40463s) stopped
T12 >> 1462231859.87449503 Poisson (341.30067s) started
T12 << 1462231868.52462912 Poisson (349.95081s) stopped
T12 >> 1462231868.52471089 Hartree integrate/restrict (11.74187s) started
T12 << 1462231868.56771898 Hartree integrate/restrict (11.78487s) stopped
T12 >> 1462231868.56783795 Hartree integrate/restrict (11.78496s) started
T12 << 1462231868.89300704 Hartree integrate/restrict (12.11013s) stopped
T12 >> 1462231868.89335299 Atomic (77.63787s) started
T12 >> 1462231868.89486504 XC Correction (0.00108s) started
T12 << 1462231868.89487910 XC Correction (0.00109s) stopped
T12 << 1462231871.26826310 Atomic (80.01278s) stopped
T12 >> 1462231871.26837206 Communicate (216.44173s) started
T12 << 1462231878.12545204 Communicate (223.29881s) stopped
T12 << 1462231878.12548995 Hamiltonian (1598.68016s) stopped
T12 >> 1462231878.12551594 LCAO eigensolver (2133.23955s) started
T12 >> 1462231878.12552905 Potential matrix (32.92188s) started
T12 << 1462231879.08995891 Potential matrix (33.88631s) stopped
T12 >> 1462231879.09005499 DistributedAtomicCorrection (12.97216s) started
T12 << 1462231879.46389508 DistributedAtomicCorrection (13.34600s) stopped
T12 >> 1462231879.46394897 Distribute overlap matrix (225.07123s) started
T12 >> 1462231879.46397400 blocked summation (129.56341s) started
T12 << 1462231883.25335693 blocked summation (133.35279s) stopped
T12 >> 1462231883.26385093 Scalapack redistribute (95.17591s) started
T12 << 1462231886.13353395 Scalapack redistribute (98.04559s) stopped
T12 << 1462231886.13361096 Distribute overlap matrix (231.74090s) stopped
T12 >> 1462231886.13807106 Blacs Orbital Layouts (1802.93429s) started
T12 >> 1462231886.14662790 General diagonalize (1795.68145s) started
T12 << 1462231935.49474406 General diagonalize (1845.02957s) stopped
T12 >> 1462231935.49479890 Redistribute coefs (0.26762s) started
T12 << 1462231935.50304604 Redistribute coefs (0.27586s) stopped
T12 >> 1462231935.50309110 Send coefs to domains (6.69534s) started
T12 << 1462231935.58793712 Send coefs to domains (6.78019s) stopped
T12 << 1462231935.58834791 Blacs Orbital Layouts (1852.38457s) stopped
T12 >> 1462231935.58839107 Calculate projections (59.17387s) started
T12 << 1462231937.30280900 Calculate projections (60.88829s) stopped
T12 << 1462231937.30318499 LCAO eigensolver (2192.41722s) stopped
T12 >> 1462231940.49695206 Density (537.37097s) started
T12 >> 1462231940.49696708 Pseudo density (418.59269s) started
T12 >> 1462231940.49927998 Calculate density matrix (393.27304s) started
T12 << 1462231952.27447200 Calculate density matrix (405.04823s) stopped
T12 >> 1462231952.27452803 Construct density (24.66825s) started
T12 << 1462231953.02295589 Construct density (25.41667s) stopped
T12 >> 1462231953.03674698 Symmetrize density (0.00265s) started
T12 << 1462231953.03684711 Symmetrize density (0.00275s) stopped
T12 << 1462231953.03901601 Pseudo density (431.13474s) stopped
T12 >> 1462231953.03908300 Atomic density matrices (104.11135s) started
T12 << 1462231956.25855708 Atomic density matrices (107.33082s) stopped
T12 >> 1462231956.25859499 Multipole moments (0.27536s) started
T12 << 1462231956.26718712 Multipole moments (0.28395s) stopped
T12 >> 1462231956.26721191 Normalize (0.22031s) started
T12 << 1462231956.27397895 Normalize (0.22708s) stopped
T12 >> 1462231956.27408600 Mix (14.16883s) started
T12 << 1462231956.71354008 Mix (14.60828s) stopped
T12 << 1462231956.71358800 Density (553.58760s) stopped
T12 >> 1462231956.71361399 Hamiltonian (1598.68017s) started
T12 >> 1462231956.71362996 vbar (0.88428s) started
T12 << 1462231956.74360490 vbar (0.91425s) stopped
T12 >> 1462231956.74377608 XC 3D grid (932.40467s) started
T12 >> 1462231957.25733089 van der Waals (900.38937s) started
T12 >> 1462231957.37271190 semilocal (190.75214s) started
T12 << 1462231963.13530111 semilocal (196.51473s) stopped
T12 >> 1462231963.21054912 redistribute (94.65810s) started
T12 << 1462231964.21355796 redistribute (95.66111s) stopped
T12 >> 1462231964.21361089 libvdwxc nonlocal (608.72510s) started
T12 << 1462231982.33164001 libvdwxc nonlocal (626.84313s) stopped
T12 >> 1462231982.33171105 redistribute (95.66114s) started
T12 << 1462231984.32154393 redistribute (97.65098s) stopped
T12 << 1462231984.32275009 van der Waals (927.45479s) stopped
T12 << 1462231984.77380896 XC 3D grid (960.43470s) stopped
T12 >> 1462231984.77385592 Poisson (349.95087s) started
T12 << 1462231990.52372408 Poisson (355.70073s) stopped
T12 >> 1462231990.52381706 Hartree integrate/restrict (12.11016s) started
T12 << 1462231990.56105900 Hartree integrate/restrict (12.14741s) stopped
T12 >> 1462231990.56123590 Hartree integrate/restrict (12.14752s) started
T12 << 1462231990.90259409 Hartree integrate/restrict (12.48888s) stopped
T12 >> 1462231990.90298891 Atomic (80.01280s) started
T12 >> 1462231990.90452409 XC Correction (0.00110s) started
T12 << 1462231990.90453911 XC Correction (0.00112s) stopped
T12 << 1462231993.27652001 Atomic (82.38633s) stopped
T12 >> 1462231993.27661204 Communicate (223.29883s) started
T12 << 1462232000.07952595 Communicate (230.10175s) stopped
T12 << 1462232000.07955599 Hamiltonian (1642.04611s) stopped
T12 >> 1462232000.07957792 LCAO eigensolver (2192.41724s) started
T12 >> 1462232000.07959104 Potential matrix (33.88637s) started
T12 << 1462232001.05363011 Potential matrix (34.86040s) stopped
T12 >> 1462232001.05372500 DistributedAtomicCorrection (13.34604s) started
T12 << 1462232001.42881608 DistributedAtomicCorrection (13.72113s) stopped
T12 >> 1462232001.42886996 Distribute overlap matrix (231.74091s) started
T12 >> 1462232001.42889404 blocked summation (133.35282s) started
T12 << 1462232005.19445610 blocked summation (137.11839s) stopped
T12 >> 1462232005.20382905 Scalapack redistribute (98.04563s) started
T12 << 1462232008.10788012 Scalapack redistribute (100.94968s) stopped
T12 << 1462232008.10795808 Distribute overlap matrix (238.42000s) stopped
T12 >> 1462232008.11261010 Blacs Orbital Layouts (1852.38459s) started
T12 >> 1462232008.12133598 General diagonalize (1845.02961s) started
T12 << 1462232058.94791508 General diagonalize (1895.85619s) stopped
T12 >> 1462232058.94796109 Redistribute coefs (0.27590s) started
T12 << 1462232058.95650101 Redistribute coefs (0.28444s) stopped
T12 >> 1462232058.95654297 Send coefs to domains (6.78023s) started
T12 << 1462232059.10802507 Send coefs to domains (6.93171s) stopped
T12 << 1462232059.10846901 Blacs Orbital Layouts (1903.38045s) stopped
T12 >> 1462232059.10850692 Calculate projections (60.88835s) started
T12 << 1462232060.81455803 Calculate projections (62.59440s) stopped
T12 << 1462232060.81501007 LCAO eigensolver (2253.15267s) stopped
T12 >> 1462232064.01816607 Density (553.58761s) started
T12 >> 1462232064.01818109 Pseudo density (431.13479s) started
T12 >> 1462232064.02085590 Calculate density matrix (405.04826s) started
T12 << 1462232075.85606909 Calculate density matrix (416.88348s) stopped
T12 >> 1462232075.85611606 Construct density (25.41673s) started
T12 << 1462232076.60527802 Construct density (26.16589s) stopped
T12 >> 1462232076.62122202 Symmetrize density (0.00277s) started
T12 << 1462232076.62128305 Symmetrize density (0.00283s) stopped
T12 << 1462232076.62345409 Pseudo density (443.74006s) stopped
T12 >> 1462232076.62351108 Atomic density matrices (107.33085s) started
T12 << 1462232079.76100397 Atomic density matrices (110.46834s) stopped
T12 >> 1462232079.76103711 Multipole moments (0.28397s) started
T12 << 1462232079.76989388 Multipole moments (0.29282s) stopped
T12 >> 1462232079.76991701 Normalize (0.22716s) started
T12 << 1462232079.77751303 Normalize (0.23475s) stopped
T12 >> 1462232079.77755499 Mix (14.60833s) started
T12 << 1462232080.22107506 Mix (15.05185s) stopped
T12 << 1462232080.22113991 Density (569.79059s) stopped
T12 >> 1462232080.22116494 Hamiltonian (1642.04612s) started
T12 >> 1462232080.22117996 vbar (0.91435s) started
T12 << 1462232080.24502707 vbar (0.93820s) stopped
T12 >> 1462232080.24516892 XC 3D grid (960.43474s) started
T12 >> 1462232080.75223398 van der Waals (927.45483s) started
T12 >> 1462232080.86232591 semilocal (196.51482s) started
T12 << 1462232086.58180308 semilocal (202.23430s) stopped
T12 >> 1462232086.65766907 redistribute (97.65102s) started
T12 << 1462232087.68025494 redistribute (98.67360s) stopped
T12 >> 1462232087.68030095 libvdwxc nonlocal (626.84318s) started
T12 << 1462232106.16596699 libvdwxc nonlocal (645.32885s) stopped
T12 >> 1462232106.16603589 redistribute (98.67364s) started
T12 << 1462232107.83039594 redistribute (100.33800s) stopped
T12 << 1462232107.83152294 van der Waals (954.53412s) stopped
T12 << 1462232108.28424597 XC 3D grid (988.47382s) stopped
T12 >> 1462232108.28428793 Poisson (355.70080s) started
T12 << 1462232116.87134504 Poisson (364.28786s) stopped
T12 >> 1462232116.87141800 Hartree integrate/restrict (12.48894s) started
T12 << 1462232116.92045903 Hartree integrate/restrict (12.53798s) stopped
T12 >> 1462232116.92050505 Hartree integrate/restrict (12.53801s) started
T12 << 1462232117.27302790 Hartree integrate/restrict (12.89053s) stopped
T12 >> 1462232117.27336097 Atomic (82.38636s) started
T12 >> 1462232117.27500296 XC Correction (0.00113s) started
T12 << 1462232117.27501798 XC Correction (0.00114s) stopped
T12 << 1462232119.64647007 Atomic (84.75946s) stopped
T12 >> 1462232119.64655089 Communicate (230.10177s) started
T12 << 1462232126.50891995 Communicate (236.96413s) stopped
T12 << 1462232126.50895190 Hamiltonian (1688.33391s) stopped
T12 >> 1462232126.50897408 LCAO eigensolver (2253.15269s) started
T12 >> 1462232126.50898695 Potential matrix (34.86046s) started
T12 << 1462232127.47276211 Potential matrix (35.82423s) stopped
T12 >> 1462232127.47283602 DistributedAtomicCorrection (13.72117s) started
T12 << 1462232127.84251404 DistributedAtomicCorrection (14.09085s) stopped
T12 >> 1462232127.84256291 Distribute overlap matrix (238.42001s) started
T12 >> 1462232127.84258389 blocked summation (137.11842s) started
T12 << 1462232131.60886192 blocked summation (140.88470s) stopped
T12 >> 1462232131.61821795 Scalapack redistribute (100.94972s) started
T12 << 1462232134.52945304 Scalapack redistribute (103.86096s) stopped
T12 << 1462232134.52955699 Distribute overlap matrix (245.10700s) stopped
T12 >> 1462232134.53385711 Blacs Orbital Layouts (1903.38047s) started
T12 >> 1462232134.54232001 General diagonalize (1895.85623s) started
T12 << 1462232186.38397503 General diagonalize (1947.69789s) stopped
T12 >> 1462232186.38402390 Redistribute coefs (0.28447s) started
T12 << 1462232186.39149189 Redistribute coefs (0.29194s) stopped
T12 >> 1462232186.39153910 Send coefs to domains (6.93174s) started
T12 << 1462232186.48961496 Send coefs to domains (7.02981s) stopped
T12 << 1462232186.49003792 Blacs Orbital Layouts (1955.33665s) stopped
T12 >> 1462232186.49007702 Calculate projections (62.59445s) started
T12 << 1462232188.19724607 Calculate projections (64.30162s) stopped
T12 << 1462232188.19763303 LCAO eigensolver (2314.84135s) stopped
T12 >> 1462232191.39790010 Density (569.79060s) started
T12 >> 1462232191.39791489 Pseudo density (443.74011s) started
T12 >> 1462232191.40058804 Calculate density matrix (416.88351s) started
T12 << 1462232203.22797799 Calculate density matrix (428.71090s) stopped
T12 >> 1462232203.22802806 Construct density (26.16594s) started
T12 << 1462232203.97884011 Construct density (26.91676s) stopped
T12 >> 1462232203.99486709 Symmetrize density (0.00284s) started
T12 << 1462232203.99492502 Symmetrize density (0.00290s) stopped
T12 << 1462232203.99711299 Pseudo density (456.33931s) stopped
T12 >> 1462232203.99717093 Atomic density matrices (110.46837s) started
T12 << 1462232207.19079900 Atomic density matrices (113.66200s) stopped
T12 >> 1462232207.19083190 Multipole moments (0.29284s) started
T12 << 1462232207.19983602 Multipole moments (0.30184s) stopped
T12 >> 1462232207.19986010 Normalize (0.23478s) started
T12 << 1462232207.20734310 Normalize (0.24227s) stopped
T12 >> 1462232207.20738506 Mix (15.05191s) started
T12 << 1462232207.67246795 Mix (15.51700s) stopped
T12 << 1462232207.67251801 Density (586.06522s) stopped
T12 >> 1462232207.67254496 Hamiltonian (1688.33392s) started
T12 >> 1462232207.67256093 vbar (0.93828s) started
T12 << 1462232207.70360303 vbar (0.96933s) stopped
T12 >> 1462232207.70373797 XC 3D grid (988.47385s) started
T12 >> 1462232208.17719889 van der Waals (954.53415s) started
T12 >> 1462232208.28853703 semilocal (202.23437s) started
T12 << 1462232214.08144307 semilocal (208.02727s) stopped
T12 >> 1462232214.15731096 redistribute (100.33803s) started
T12 << 1462232215.12301302 redistribute (101.30373s) stopped
T12 >> 1462232215.12305808 libvdwxc nonlocal (645.32889s) started
T12 << 1462232234.11039805 libvdwxc nonlocal (664.31623s) stopped
T12 >> 1462232234.11046195 redistribute (101.30377s) started
T12 << 1462232235.78333998 redistribute (102.97664s) stopped
T12 << 1462232235.78438807 van der Waals (982.14134s) stopped
T12 << 1462232236.23708510 XC 3D grid (1017.00719s) stopped
T12 >> 1462232236.23712707 Poisson (364.28791s) started
T12 << 1462232242.08222604 Poisson (370.13301s) stopped
T12 >> 1462232242.08229303 Hartree integrate/restrict (12.89056s) started
T12 << 1462232242.13744211 Hartree integrate/restrict (12.94571s) stopped
T12 >> 1462232242.13748193 Hartree integrate/restrict (12.94573s) started
T12 << 1462232242.45245099 Hartree integrate/restrict (13.26070s) stopped
T12 >> 1462232242.45286489 Atomic (84.75949s) started
T12 >> 1462232242.45459199 XC Correction (0.00115s) started
T12 << 1462232242.45461106 XC Correction (0.00117s) stopped
T12 << 1462232244.82320690 Atomic (87.12983s) stopped
T12 >> 1462232244.82328701 Communicate (236.96415s) started
T12 << 1462232251.70758700 Communicate (243.84845s) stopped
T12 << 1462232251.70762300 Hamiltonian (1732.36900s) stopped
T12 >> 1462232251.70764709 LCAO eigensolver (2314.84137s) started
T12 >> 1462232251.70765996 Potential matrix (35.82428s) started
T12 << 1462232252.66927791 Potential matrix (36.78590s) stopped
T12 >> 1462232252.66935205 DistributedAtomicCorrection (14.09089s) started
T12 << 1462232253.04471707 DistributedAtomicCorrection (14.46626s) stopped
T12 >> 1462232253.04476500 Distribute overlap matrix (245.10702s) started
T12 >> 1462232253.04479003 blocked summation (140.88473s) started
T12 << 1462232256.82511401 blocked summation (144.66506s) stopped
T12 >> 1462232256.83486605 Scalapack redistribute (103.86102s) started
T12 << 1462232259.72508001 Scalapack redistribute (106.75123s) stopped
T12 << 1462232259.72515106 Distribute overlap matrix (251.78740s) stopped
T12 >> 1462232259.73010206 Blacs Orbital Layouts (1955.33666s) started
T12 >> 1462232259.73897195 General diagonalize (1947.69793s) started
T12 << 1462232311.41963100 General diagonalize (1999.37859s) stopped
T12 >> 1462232311.41967797 Redistribute coefs (0.29197s) started
T12 << 1462232311.42729902 Redistribute coefs (0.29959s) stopped
T12 >> 1462232311.42734098 Send coefs to domains (7.02985s) started
T12 << 1462232311.51993990 Send coefs to domains (7.12245s) stopped
T12 << 1462232311.52043796 Blacs Orbital Layouts (2007.12700s) stopped
T12 >> 1462232311.52047610 Calculate projections (64.30169s) started
T12 << 1462232313.22655702 Calculate projections (66.00778s) stopped
T12 << 1462232313.22693110 LCAO eigensolver (2376.36065s) stopped
T12 >> 1462232316.43170404 Density (586.06523s) started
T12 >> 1462232316.43171906 Pseudo density (456.33935s) started
T12 >> 1462232316.43481708 Calculate density matrix (428.71093s) started
T12 << 1462232328.24182796 Calculate density matrix (440.51794s) stopped
T12 >> 1462232328.24187803 Construct density (26.91681s) started
T12 << 1462232328.99028397 Construct density (27.66521s) stopped
T12 >> 1462232329.00620699 Symmetrize density (0.00292s) started
T12 << 1462232329.00626302 Symmetrize density (0.00297s) stopped
T12 << 1462232329.00843596 Pseudo density (468.91607s) stopped
T12 >> 1462232329.00849104 Atomic density matrices (113.66202s) started
T12 << 1462232332.15720391 Atomic density matrices (116.81073s) stopped
T12 >> 1462232332.15723705 Multipole moments (0.30186s) started
T12 << 1462232332.16553092 Multipole moments (0.31016s) stopped
T12 >> 1462232332.16555500 Normalize (0.24230s) started
T12 << 1462232332.17445898 Normalize (0.25120s) stopped
T12 >> 1462232332.17449903 Mix (15.51705s) started
T12 << 1462232332.63361692 Mix (15.97616s) stopped
T12 << 1462232332.63366389 Density (602.26719s) stopped
T12 >> 1462232332.63368893 Hamiltonian (1732.36901s) started
T12 >> 1462232332.63370490 vbar (0.96941s) started
T12 << 1462232332.65634608 vbar (0.99205s) stopped
T12 >> 1462232332.65644407 XC 3D grid (1017.00723s) started
T12 >> 1462232333.18035698 van der Waals (982.14136s) started
T12 >> 1462232333.29102397 semilocal (208.02735s) started
T12 << 1462232339.06370211 semilocal (213.80003s) stopped
T12 >> 1462232339.14024305 redistribute (102.97668s) started
T12 << 1462232340.14526701 redistribute (103.98170s) stopped
T12 >> 1462232340.14530993 libvdwxc nonlocal (664.31628s) started
T12 << 1462232358.68596196 libvdwxc nonlocal (682.85693s) stopped
T12 >> 1462232358.68603206 redistribute (103.98174s) started
T12 << 1462232360.29999089 redistribute (105.59570s) stopped
T12 << 1462232360.30116200 van der Waals (1009.26217s) stopped
T12 << 1462232360.75421190 XC 3D grid (1045.10499s) stopped
T12 >> 1462232360.75425410 Poisson (370.13306s) started
T12 << 1462232366.51489902 Poisson (375.89371s) stopped
T12 >> 1462232366.51497006 Hartree integrate/restrict (13.26076s) started
T12 << 1462232366.56366110 Hartree integrate/restrict (13.30945s) stopped
T12 >> 1462232366.56370306 Hartree integrate/restrict (13.30948s) started
T12 << 1462232366.89762211 Hartree integrate/restrict (13.64340s) stopped
T12 >> 1462232366.89828491 Atomic (87.12985s) started
T12 >> 1462232366.90092707 XC Correction (0.00118s) started
T12 << 1462232366.90098095 XC Correction (0.00124s) stopped
T12 << 1462232369.26388907 Atomic (89.49546s) stopped
T12 >> 1462232369.26396894 Communicate (243.84848s) started
T12 << 1462232376.09531093 Communicate (250.67982s) stopped
T12 << 1462232376.09534097 Hamiltonian (1775.83066s) stopped
T12 >> 1462232376.09536409 LCAO eigensolver (2376.36067s) started
T12 >> 1462232376.09537697 Potential matrix (36.78594s) started
T12 << 1462232377.05438399 Potential matrix (37.74495s) stopped
T12 >> 1462232377.05447292 DistributedAtomicCorrection (14.46629s) started
T12 << 1462232377.42875600 DistributedAtomicCorrection (14.84058s) stopped
T12 >> 1462232377.42880797 Distribute overlap matrix (251.78742s) started
T12 >> 1462232377.42883110 blocked summation (144.66509s) started
T12 << 1462232381.20833111 blocked summation (148.44459s) stopped
T12 >> 1462232381.21779394 Scalapack redistribute (106.75127s) started
T12 << 1462232384.16064405 Scalapack redistribute (109.69412s) stopped
T12 << 1462232384.16072011 Distribute overlap matrix (258.51933s) stopped
T12 >> 1462232384.16637611 Blacs Orbital Layouts (2007.12702s) started
T12 >> 1462232384.17517591 General diagonalize (1999.37862s) started
T12 << 1462232433.47711110 General diagonalize (2048.68056s) stopped
T12 >> 1462232433.47718501 Redistribute coefs (0.29963s) started
T12 << 1462232433.48478508 Redistribute coefs (0.30723s) stopped
T12 >> 1462232433.48483109 Send coefs to domains (7.12248s) started
T12 << 1462232433.77972388 Send coefs to domains (7.41737s) stopped
T12 << 1462232433.78023601 Blacs Orbital Layouts (2056.74088s) stopped
T12 >> 1462232433.78027606 Calculate projections (66.00783s) started
T12 << 1462232435.48557711 Calculate projections (67.71313s) stopped
T12 << 1462232435.48594093 LCAO eigensolver (2435.75125s) stopped
T12 >> 1462232438.68150806 Density (602.26721s) started
T12 >> 1462232438.68152404 Pseudo density (468.91612s) started
T12 >> 1462232438.68442607 Calculate density matrix (440.51797s) started
T12 << 1462232450.49322009 Calculate density matrix (452.32677s) stopped
T12 >> 1462232450.49326992 Construct density (27.66526s) started
T12 << 1462232451.24399590 Construct density (28.41599s) stopped
T12 >> 1462232451.25993204 Symmetrize density (0.00299s) started
T12 << 1462232451.25999093 Symmetrize density (0.00305s) stopped
T12 << 1462232451.26216006 Pseudo density (481.49675s) stopped
T12 >> 1462232451.26221704 Atomic density matrices (116.81076s) started
T12 << 1462232454.42420793 Atomic density matrices (119.97275s) stopped
T12 >> 1462232454.42424107 Multipole moments (0.31017s) started
T12 << 1462232454.43315291 Multipole moments (0.31908s) stopped
T12 >> 1462232454.43317699 Normalize (0.25123s) started
T12 << 1462232454.44225407 Normalize (0.26031s) stopped
T12 >> 1462232454.44233799 Mix (15.97621s) started
T12 << 1462232454.88505697 Mix (16.41893s) stopped
T12 << 1462232454.88510203 Density (618.47080s) stopped
T12 >> 1462232454.88512611 Hamiltonian (1775.83067s) started
T12 >> 1462232454.88514090 vbar (0.99211s) started
T12 << 1462232454.91591311 vbar (1.02288s) stopped
T12 >> 1462232454.91607499 XC 3D grid (1045.10503s) started
T12 >> 1462232455.38864493 van der Waals (1009.26220s) started
T12 >> 1462232455.49885988 semilocal (213.80016s) started
T12 << 1462232461.28890800 semilocal (219.59020s) stopped
T12 >> 1462232461.36697888 redistribute (105.59573s) started
T12 << 1462232462.32755995 redistribute (106.55631s) stopped
T12 >> 1462232462.32760596 libvdwxc nonlocal (682.85698s) started
T12 << 1462232481.80469704 libvdwxc nonlocal (702.33407s) stopped
T12 >> 1462232481.80477190 redistribute (106.55634s) started
T12 << 1462232483.48863411 redistribute (108.24021s) stopped
T12 << 1462232483.48959303 van der Waals (1037.36315s) stopped
T12 << 1462232483.94630694 XC 3D grid (1074.13526s) stopped
T12 >> 1462232483.94635010 Poisson (375.89376s) started
T12 << 1462232489.89650607 Poisson (381.84391s) stopped
T12 >> 1462232489.89657211 Hartree integrate/restrict (13.64348s) started
T12 << 1462232489.95816493 Hartree integrate/restrict (13.70507s) stopped
T12 >> 1462232489.95821190 Hartree integrate/restrict (13.70510s) started
T12 << 1462232490.28664804 Hartree integrate/restrict (14.03354s) stopped
T12 >> 1462232490.28704691 Atomic (89.49548s) started
T12 >> 1462232490.28859901 XC Correction (0.00125s) started
T12 << 1462232490.28861403 XC Correction (0.00127s) stopped
T12 << 1462232492.65561295 Atomic (91.86404s) stopped
T12 >> 1462232492.65569401 Communicate (250.67984s) started
T12 << 1462232499.48163700 Communicate (257.50578s) stopped
T12 << 1462232499.48167396 Hamiltonian (1820.42722s) stopped
T12 >> 1462232499.48169994 LCAO eigensolver (2435.75127s) started
T12 >> 1462232499.48171306 Potential matrix (37.74500s) started
T12 << 1462232500.45194101 Potential matrix (38.71523s) stopped
T12 >> 1462232500.45201206 DistributedAtomicCorrection (14.84062s) started
T12 << 1462232500.82307196 DistributedAtomicCorrection (15.21168s) stopped
T12 >> 1462232500.82312393 Distribute overlap matrix (258.51934s) started
T12 >> 1462232500.82314491 blocked summation (148.44462s) started
T12 << 1462232504.62082696 blocked summation (152.24230s) stopped
T12 >> 1462232504.63019705 Scalapack redistribute (109.69416s) started
T12 << 1462232507.50993204 Scalapack redistribute (112.57390s) stopped
T12 << 1462232507.51002192 Distribute overlap matrix (265.20624s) stopped
T12 >> 1462232507.51439905 Blacs Orbital Layouts (2056.74090s) started
T12 >> 1462232507.52304912 General diagonalize (2048.68062s) started
T12 << 1462232559.51111889 General diagonalize (2100.66869s) stopped
T12 >> 1462232559.51121211 Redistribute coefs (0.30726s) started
T12 << 1462232559.51921701 Redistribute coefs (0.31526s) stopped
T12 >> 1462232559.51926398 Send coefs to domains (7.41740s) started
T12 << 1462232559.74624491 Send coefs to domains (7.64438s) stopped
T12 << 1462232559.74676204 Blacs Orbital Layouts (2108.97326s) stopped
T12 >> 1462232559.74680400 Calculate projections (67.71317s) started
T12 << 1462232561.45204210 Calculate projections (69.41841s) stopped
T12 << 1462232561.45221901 LCAO eigensolver (2497.72179s) stopped
T12 >> 1462232564.65188408 Density (618.47081s) started
T12 >> 1462232564.65189910 Pseudo density (481.49680s) started
T12 >> 1462232564.65503812 Calculate density matrix (452.32680s) started
T12 << 1462232576.50657797 Calculate density matrix (464.17834s) stopped
T12 >> 1462232576.50662494 Construct density (28.41604s) started
T12 << 1462232577.25584197 Construct density (29.16525s) stopped
T12 >> 1462232577.27193403 Symmetrize density (0.00306s) started
T12 << 1462232577.27199006 Symmetrize density (0.00312s) stopped
T12 << 1462232577.27416205 Pseudo density (494.11906s) stopped
T12 >> 1462232577.27421999 Atomic density matrices (119.97277s) started
T12 << 1462232580.42930698 Atomic density matrices (123.12786s) stopped
T12 >> 1462232580.42933989 Multipole moments (0.31910s) started
T12 << 1462232580.43816090 Multipole moments (0.32792s) stopped
T12 >> 1462232580.43818498 Normalize (0.26038s) started
T12 << 1462232580.44717312 Normalize (0.26936s) stopped
T12 >> 1462232580.44722199 Mix (16.41897s) started
T12 << 1462232580.88562703 Mix (16.85738s) stopped
T12 << 1462232580.88567305 Density (634.70460s) stopped
T12 >> 1462232580.88569808 Hamiltonian (1820.42723s) started
T12 >> 1462232580.88571310 vbar (1.02299s) started
T12 << 1462232580.91986203 vbar (1.05713s) stopped
T12 >> 1462232580.91996288 XC 3D grid (1074.13529s) started
T12 >> 1462232581.39371395 van der Waals (1037.36317s) started
T12 >> 1462232581.50351095 semilocal (219.59030s) started
T12 << 1462232587.31507993 semilocal (225.40186s) stopped
T12 >> 1462232587.39546394 redistribute (108.24024s) started
T12 << 1462232588.41651702 redistribute (109.26129s) stopped
T12 >> 1462232588.41656089 libvdwxc nonlocal (702.33412s) started
T12 << 1462232607.03747892 libvdwxc nonlocal (720.95504s) stopped
T12 >> 1462232607.03754497 redistribute (109.26132s) started
T12 << 1462232608.71743011 redistribute (110.94121s) stopped
T12 << 1462232608.71859193 van der Waals (1064.68804s) stopped
T12 << 1462232609.17380905 XC 3D grid (1102.38914s) stopped
T12 >> 1462232609.17385006 Poisson (381.84396s) started
T12 << 1462232613.51529694 Poisson (386.18541s) stopped
T12 >> 1462232613.51536107 Hartree integrate/restrict (14.03358s) started
T12 << 1462232613.56423998 Hartree integrate/restrict (14.08246s) stopped
T12 >> 1462232613.56428909 Hartree integrate/restrict (14.08249s) started
T12 << 1462232613.87767100 Hartree integrate/restrict (14.39588s) stopped
T12 >> 1462232613.87804103 Atomic (91.86407s) started
T12 >> 1462232613.87952805 XC Correction (0.00128s) started
T12 << 1462232613.87954211 XC Correction (0.00129s) stopped
T12 << 1462232616.24664497 Atomic (94.23267s) stopped
T12 >> 1462232616.24672699 Communicate (257.50580s) started
T12 << 1462232623.20030904 Communicate (264.45939s) stopped
T12 << 1462232623.20034409 Hamiltonian (1862.74188s) stopped
T12 >> 1462232623.20036793 LCAO eigensolver (2497.72180s) started
T12 >> 1462232623.20038104 Potential matrix (38.71527s) started
T12 << 1462232624.16505504 Potential matrix (39.67994s) stopped
T12 >> 1462232624.16512799 DistributedAtomicCorrection (15.21172s) started
T12 << 1462232624.53572202 DistributedAtomicCorrection (15.58231s) stopped
T12 >> 1462232624.53576994 Distribute overlap matrix (265.20625s) started
T12 >> 1462232624.53582406 blocked summation (152.24233s) started
T12 << 1462232628.30559802 blocked summation (156.01210s) stopped
T12 >> 1462232628.31444693 Scalapack redistribute (112.57395s) started
T12 << 1462232631.24188399 Scalapack redistribute (115.50139s) stopped
T12 << 1462232631.24199200 Distribute overlap matrix (271.91247s) stopped
T12 >> 1462232631.24615598 Blacs Orbital Layouts (2108.97328s) started
T12 >> 1462232631.25430989 General diagonalize (2100.66877s) started
T12 << 1462232683.87892103 General diagonalize (2153.29338s) stopped
T12 >> 1462232683.87897611 Redistribute coefs (0.31529s) started
T12 << 1462232683.88763809 Redistribute coefs (0.32396s) stopped
T12 >> 1462232683.88769102 Send coefs to domains (7.64441s) started
T12 << 1462232684.14657593 Send coefs to domains (7.90330s) stopped
T12 << 1462232684.14696693 Blacs Orbital Layouts (2161.87409s) stopped
T12 >> 1462232684.14700699 Calculate projections (69.41846s) started
T12 << 1462232685.85090804 Calculate projections (71.12236s) stopped
T12 << 1462232685.85108304 LCAO eigensolver (2560.37252s) stopped
T12 >> 1462232689.06294799 Density (634.70461s) started
T12 >> 1462232689.06296301 Pseudo density (494.11911s) started
T12 >> 1462232689.06608891 Calculate density matrix (464.17837s) started
T12 << 1462232700.81811905 Calculate density matrix (475.93040s) stopped
T12 >> 1462232700.81816792 Construct density (29.16530s) started
T12 << 1462232701.56572104 Construct density (29.91286s) stopped
T12 >> 1462232701.58156395 Symmetrize density (0.00314s) started
T12 << 1462232701.58161998 Symmetrize density (0.00319s) stopped
T12 << 1462232701.58378506 Pseudo density (506.63993s) stopped
T12 >> 1462232701.58384490 Atomic density matrices (123.12789s) started
T12 << 1462232704.79036093 Atomic density matrices (126.33440s) stopped
T12 >> 1462232704.79039311 Multipole moments (0.32794s) started
T12 << 1462232704.79942107 Multipole moments (0.33697s) stopped
T12 >> 1462232704.79944396 Normalize (0.26940s) started
T12 << 1462232704.80698299 Normalize (0.27694s) stopped
T12 >> 1462232704.80705094 Mix (16.85742s) started
T12 << 1462232705.28408504 Mix (17.33446s) stopped
T12 << 1462232705.28414011 Density (650.92580s) stopped
T12 >> 1462232705.28416705 Hamiltonian (1862.74189s) started
T12 >> 1462232705.28418303 vbar (1.05719s) started
T12 << 1462232705.31726289 vbar (1.09027s) stopped
T12 >> 1462232705.31745791 XC 3D grid (1102.38917s) started
T12 >> 1462232705.77721500 van der Waals (1064.68808s) started
T12 >> 1462232705.89257908 semilocal (225.40195s) started
T12 << 1462232711.67547703 semilocal (231.18484s) stopped
T12 >> 1462232711.75481892 redistribute (110.94126s) started
T12 << 1462232712.79655004 redistribute (111.98300s) stopped
T12 >> 1462232712.79660010 libvdwxc nonlocal (720.95508s) started
T12 << 1462232730.86923695 libvdwxc nonlocal (739.02772s) stopped
T12 >> 1462232730.86929893 redistribute (111.98303s) started
T12 << 1462232732.81918693 redistribute (113.93292s) stopped
T12 << 1462232732.82036495 van der Waals (1091.73123s) stopped
T12 << 1462232733.27079010 XC 3D grid (1130.34250s) stopped
T12 >> 1462232733.27086306 Poisson (386.18545s) started
T12 << 1462232737.57239604 Poisson (390.48698s) stopped
T12 >> 1462232737.57248592 Hartree integrate/restrict (14.39591s) started
T12 << 1462232737.60989904 Hartree integrate/restrict (14.43332s) stopped
T12 >> 1462232737.61004591 Hartree integrate/restrict (14.43343s) started
T12 << 1462232737.93624711 Hartree integrate/restrict (14.75963s) stopped
T12 >> 1462232737.93661094 Atomic (94.23269s) started
T12 >> 1462232737.93818092 XC Correction (0.00130s) started
T12 << 1462232737.93820691 XC Correction (0.00133s) stopped
T12 << 1462232740.30167103 Atomic (96.59775s) stopped
T12 >> 1462232740.30175400 Communicate (264.45941s) started
T12 << 1462232747.11370993 Communicate (271.27137s) stopped
T12 << 1462232747.11374903 Hamiltonian (1904.57147s) stopped
T12 >> 1462232747.11377501 LCAO eigensolver (2560.37254s) started
T12 >> 1462232747.11378789 Potential matrix (39.67999s) started
T12 << 1462232748.07866693 Potential matrix (40.64487s) stopped
T12 >> 1462232748.07876110 DistributedAtomicCorrection (15.58235s) started
T12 << 1462232748.45907998 DistributedAtomicCorrection (15.96267s) stopped
T12 >> 1462232748.45912910 Distribute overlap matrix (271.91248s) started
T12 >> 1462232748.45915294 blocked summation (156.01213s) started
T12 << 1462232752.24143696 blocked summation (159.79442s) stopped
T12 >> 1462232752.25072694 Scalapack redistribute (115.50145s) started
T12 << 1462232755.20106196 Scalapack redistribute (118.45179s) stopped
T12 << 1462232755.20116997 Distribute overlap matrix (278.65453s) stopped
T12 >> 1462232755.20622993 Blacs Orbital Layouts (2161.87411s) started
T12 >> 1462232755.21473002 General diagonalize (2153.29343s) started
T12 << 1462232807.16382408 General diagonalize (2205.24252s) stopped
T12 >> 1462232807.16388988 Redistribute coefs (0.32399s) started
T12 << 1462232807.17235804 Redistribute coefs (0.33246s) stopped
T12 >> 1462232807.17241192 Send coefs to domains (7.90334s) started
T12 << 1462232807.25993299 Send coefs to domains (7.99086s) stopped
T12 << 1462232807.26022911 Blacs Orbital Layouts (2213.92811s) stopped
T12 >> 1462232807.26027298 Calculate projections (71.12241s) started
T12 << 1462232808.97473311 Calculate projections (72.83687s) stopped
T12 << 1462232808.97492194 LCAO eigensolver (2622.23368s) stopped
T12 >> 1462232812.17741895 Density (650.92582s) started
T12 >> 1462232812.17743397 Pseudo density (506.63998s) started
T12 >> 1462232812.17973304 Calculate density matrix (475.93044s) started
T12 << 1462232823.95975590 Calculate density matrix (487.71046s) stopped
T12 >> 1462232823.95981693 Construct density (29.91291s) started
T12 << 1462232824.70947909 Construct density (30.66258s) stopped
T12 >> 1462232824.72338200 Symmetrize density (0.00321s) started
T12 << 1462232824.72344804 Symmetrize density (0.00328s) stopped
T12 << 1462232824.72563100 Pseudo density (519.18818s) stopped
T12 >> 1462232824.72569799 Atomic density matrices (126.33443s) started
T12 << 1462232827.97384000 Atomic density matrices (129.58257s) stopped
T12 >> 1462232827.97387600 Multipole moments (0.33698s) started
T12 << 1462232827.98222709 Multipole moments (0.34533s) stopped
T12 >> 1462232827.98225093 Normalize (0.27699s) started
T12 << 1462232827.98906994 Normalize (0.28381s) stopped
T12 >> 1462232827.98917699 Mix (17.33451s) started
T12 << 1462232828.44520712 Mix (17.79054s) stopped
T12 << 1462232828.44525695 Density (667.19366s) stopped
T12 >> 1462232828.44528198 Hamiltonian (1904.57149s) started
T12 >> 1462232828.44529796 vbar (1.09038s) started
T12 << 1462232828.48003006 vbar (1.12511s) stopped
T12 >> 1462232828.48025107 XC 3D grid (1130.34257s) started
T12 >> 1462232828.96127796 van der Waals (1091.73129s) started
T12 >> 1462232829.07378006 semilocal (231.18493s) started
T12 << 1462232834.83815598 semilocal (236.94931s) stopped
T12 >> 1462232834.91401005 redistribute (113.93296s) started
T12 << 1462232835.95372391 redistribute (114.97268s) stopped
T12 >> 1462232835.95377803 libvdwxc nonlocal (739.02777s) started
T12 << 1462232854.12710094 libvdwxc nonlocal (757.20109s) stopped
T12 >> 1462232854.12719202 redistribute (114.97272s) started
T12 << 1462232856.28339791 redistribute (117.12892s) stopped
T12 << 1462232856.28457904 van der Waals (1119.05459s) stopped
T12 << 1462232856.74034190 XC 3D grid (1158.60266s) stopped
T12 >> 1462232856.74041390 Poisson (390.48705s) started
T12 << 1462232861.24402595 Poisson (394.99066s) stopped
T12 >> 1462232861.24418092 Hartree integrate/restrict (14.75968s) started
T12 << 1462232861.28101707 Hartree integrate/restrict (14.79651s) stopped
T12 >> 1462232861.28120995 Hartree integrate/restrict (14.79664s) started
T12 << 1462232861.61467910 Hartree integrate/restrict (15.13011s) stopped
T12 >> 1462232861.61503005 Atomic (96.59778s) started
T12 >> 1462232861.61657095 XC Correction (0.00134s) started
T12 << 1462232861.61659694 XC Correction (0.00137s) stopped
T12 << 1462232863.98473191 Atomic (98.96748s) stopped
T12 >> 1462232863.98481798 Communicate (271.27139s) started
T12 << 1462232870.76270795 Communicate (278.04928s) stopped
T12 << 1462232870.76273894 Hamiltonian (1946.88894s) stopped
T12 >> 1462232870.76276112 LCAO eigensolver (2622.23370s) started
T12 >> 1462232870.76277304 Potential matrix (40.64492s) started
T12 << 1462232871.72417092 Potential matrix (41.60632s) stopped
T12 >> 1462232871.72425103 DistributedAtomicCorrection (15.96271s) started
T12 << 1462232872.10155892 DistributedAtomicCorrection (16.34002s) stopped
T12 >> 1462232872.10161400 Distribute overlap matrix (278.65454s) started
T12 >> 1462232872.10163808 blocked summation (159.79447s) started
T12 << 1462232875.84115911 blocked summation (163.53399s) stopped
T12 >> 1462232875.84989190 Scalapack redistribute (118.45185s) started
T12 << 1462232878.83998799 Scalapack redistribute (121.44194s) stopped
T12 << 1462232878.84009004 Distribute overlap matrix (285.39301s) stopped
T12 >> 1462232878.84469390 Blacs Orbital Layouts (2213.92813s) started
T12 >> 1462232878.85329700 General diagonalize (2205.24258s) started
T12 << 1462232930.25293803 General diagonalize (2256.64222s) stopped
T12 >> 1462232930.25298500 Redistribute coefs (0.33250s) started
T12 << 1462232930.26130700 Redistribute coefs (0.34082s) stopped
T12 >> 1462232930.26135302 Send coefs to domains (7.99090s) started
T12 << 1462232930.84785199 Send coefs to domains (8.57739s) stopped
T12 << 1462232930.84825492 Blacs Orbital Layouts (2265.93169s) stopped
T12 >> 1462232930.84829402 Calculate projections (72.83692s) started
T12 << 1462232932.55389905 Calculate projections (74.54253s) stopped
T12 << 1462232932.55412197 LCAO eigensolver (2684.02506s) stopped
T12 >> 1462232935.76817489 Density (667.19367s) started
T12 >> 1462232935.76818895 Pseudo density (519.18823s) started
T12 >> 1462232935.77100706 Calculate density matrix (487.71050s) started
T12 << 1462232947.58435106 Calculate density matrix (499.52384s) stopped
T12 >> 1462232947.58440208 Construct density (30.66264s) started
T12 << 1462232948.33508897 Construct density (31.41332s) stopped
T12 >> 1462232948.35130405 Symmetrize density (0.00329s) started
T12 << 1462232948.35136294 Symmetrize density (0.00335s) stopped
T12 << 1462232948.35355210 Pseudo density (531.77359s) stopped
T12 >> 1462232948.35361004 Atomic density matrices (129.58259s) started
T12 << 1462232951.56204009 Atomic density matrices (132.79102s) stopped
T12 >> 1462232951.56207108 Multipole moments (0.34535s) started
T12 << 1462232951.57084608 Multipole moments (0.35412s) stopped
T12 >> 1462232951.57086992 Normalize (0.28389s) started
T12 << 1462232951.57838988 Normalize (0.29141s) stopped
T12 >> 1462232951.57842708 Mix (17.79059s) started
T12 << 1462232952.04033709 Mix (18.25250s) stopped
T12 << 1462232952.04041505 Density (683.46591s) stopped
T12 >> 1462232952.04045200 Hamiltonian (1946.88896s) started
T12 >> 1462232952.04046988 vbar (1.12523s) started
T12 << 1462232952.07753205 vbar (1.16230s) stopped
T12 >> 1462232952.07760310 XC 3D grid (1158.60272s) started
T12 >> 1462232952.54536200 van der Waals (1119.05465s) started
T12 >> 1462232952.65519595 semilocal (236.94939s) started
T12 << 1462232958.44894505 semilocal (242.74314s) stopped
T12 >> 1462232958.52479792 redistribute (117.12897s) started
T12 << 1462232959.48585105 redistribute (118.09002s) stopped
T12 >> 1462232959.48589611 libvdwxc nonlocal (757.20115s) started
T12 << 1462232978.44505405 libvdwxc nonlocal (776.16031s) stopped
T12 >> 1462232978.44510198 redistribute (118.09005s) started
T12 << 1462232980.13132310 redistribute (119.77627s) stopped
T12 << 1462232980.13247991 van der Waals (1146.64176s) stopped
T12 << 1462232980.58579493 XC 3D grid (1187.11091s) stopped
T12 >> 1462232980.58585906 Poisson (394.99078s) started
T12 << 1462232985.01435494 Poisson (399.41928s) stopped
T12 >> 1462232985.01442695 Hartree integrate/restrict (15.13015s) started
T12 << 1462232985.06974292 Hartree integrate/restrict (15.18546s) stopped
T12 >> 1462232985.06978893 Hartree integrate/restrict (15.18549s) started
T12 << 1462232985.39739895 Hartree integrate/restrict (15.51310s) stopped
T12 >> 1462232985.39775395 Atomic (98.96750s) started
T12 >> 1462232985.39944696 XC Correction (0.00138s) started
T12 << 1462232985.39949298 XC Correction (0.00143s) stopped
T12 << 1462232987.76284409 Atomic (101.33259s) stopped
T12 >> 1462232987.76292610 Communicate (278.04930s) started
T12 << 1462232994.52937794 Communicate (284.81575s) stopped
T12 << 1462232994.52941298 Hamiltonian (1989.37792s) stopped
T12 >> 1462232994.52943802 LCAO eigensolver (2684.02508s) started
T12 >> 1462232994.52945089 Potential matrix (41.60636s) started
T12 << 1462232995.49226999 Potential matrix (42.56918s) stopped
T12 >> 1462232995.49233890 DistributedAtomicCorrection (16.34005s) started
T12 << 1462232995.86648798 DistributedAtomicCorrection (16.71420s) stopped
T12 >> 1462232995.86653590 Distribute overlap matrix (285.39303s) started
T12 >> 1462232995.86655688 blocked summation (163.53403s) started
T12 << 1462232999.65646410 blocked summation (167.32393s) stopped
T12 >> 1462232999.66560793 Scalapack redistribute (121.44200s) started
T12 << 1462233002.65438795 Scalapack redistribute (124.43078s) stopped
T12 << 1462233002.65448689 Distribute overlap matrix (292.18098s) stopped
T12 >> 1462233002.65887499 Blacs Orbital Layouts (2265.93171s) started
T12 >> 1462233002.66746497 General diagonalize (2256.64225s) started
T12 << 1462233054.90367198 General diagonalize (2308.87846s) stopped
T12 >> 1462233054.90372801 Redistribute coefs (0.34085s) started
T12 << 1462233054.91233706 Redistribute coefs (0.34946s) stopped
T12 >> 1462233054.91238403 Send coefs to domains (8.57743s) started
T12 << 1462233055.05012012 Send coefs to domains (8.71516s) stopped
T12 << 1462233055.05062699 Blacs Orbital Layouts (2318.32347s) stopped
T12 >> 1462233055.05066991 Calculate projections (74.54258s) started
T12 << 1462233056.76598310 Calculate projections (76.25789s) stopped
T12 << 1462233056.76621389 LCAO eigensolver (2746.26186s) stopped
T12 >> 1462233059.96357989 Density (683.46592s) started
T12 >> 1462233059.96359396 Pseudo density (531.77364s) started
T12 >> 1462233059.96592999 Calculate density matrix (499.52388s) started
T12 << 1462233071.87134290 Calculate density matrix (511.42930s) stopped
T12 >> 1462233071.87140107 Construct density (31.41337s) started
T12 << 1462233072.62125611 Construct density (32.16323s) stopped
T12 >> 1462233072.63638306 Symmetrize density (0.00337s) started
T12 << 1462233072.63645101 Symmetrize density (0.00344s) stopped
T12 << 1462233072.63864803 Pseudo density (544.44870s) stopped
T12 >> 1462233072.63871694 Atomic density matrices (132.79105s) started
T12 << 1462233075.76979303 Atomic density matrices (135.92213s) stopped
T12 >> 1462233075.76983190 Multipole moments (0.35414s) started
T12 << 1462233075.77869892 Multipole moments (0.36301s) stopped
T12 >> 1462233075.77872396 Normalize (0.29143s) started
T12 << 1462233075.78545594 Normalize (0.29817s) stopped
T12 >> 1462233075.78556204 Mix (18.25258s) started
T12 << 1462233076.23378301 Mix (18.70080s) stopped
T12 << 1462233076.23383904 Density (699.73618s) stopped
T12 >> 1462233076.23386598 Hamiltonian (1989.37793s) started
T12 >> 1462233076.23388100 vbar (1.16234s) started
T12 << 1462233076.25548100 vbar (1.18394s) stopped
T12 >> 1462233076.25558209 XC 3D grid (1187.11096s) started
T12 >> 1462233076.76309299 van der Waals (1146.64179s) started
T12 >> 1462233076.87179995 semilocal (242.74326s) started
T12 << 1462233082.67143989 semilocal (248.54290s) stopped
T12 >> 1462233082.75107694 redistribute (119.77633s) started
T12 << 1462233083.74669290 redistribute (120.77194s) stopped
T12 >> 1462233083.74673891 libvdwxc nonlocal (776.16034s) started
T12 << 1462233101.97065711 libvdwxc nonlocal (794.38426s) stopped
T12 >> 1462233101.97071791 redistribute (120.77198s) started
T12 << 1462233103.61757302 redistribute (122.41883s) stopped
T12 << 1462233103.61888409 van der Waals (1173.49758s) stopped
T12 << 1462233104.07408595 XC 3D grid (1214.92947s) stopped
T12 >> 1462233104.07412696 Poisson (399.41933s) started
T12 << 1462233108.35769391 Poisson (403.70290s) stopped
T12 >> 1462233108.35776591 Hartree integrate/restrict (15.51313s) started
T12 << 1462233108.40143609 Hartree integrate/restrict (15.55680s) stopped
T12 >> 1462233108.40148807 Hartree integrate/restrict (15.55684s) started
T12 << 1462233108.69824195 Hartree integrate/restrict (15.85359s) stopped
T12 >> 1462233108.69860411 Atomic (101.33261s) started
T12 >> 1462233108.70014000 XC Correction (0.00144s) started
T12 << 1462233108.70015597 XC Correction (0.00146s) stopped
T12 << 1462233111.08873391 Atomic (103.72274s) stopped
T12 >> 1462233111.08881688 Communicate (284.81578s) started
T12 << 1462233117.94070292 Communicate (291.66766s) stopped
T12 << 1462233117.94074106 Hamiltonian (2031.08480s) stopped
T12 >> 1462233117.94076610 LCAO eigensolver (2746.26188s) started
T12 >> 1462233117.94077897 Potential matrix (42.56922s) started
T12 << 1462233118.89656806 Potential matrix (43.52501s) stopped
T12 >> 1462233118.89664602 DistributedAtomicCorrection (16.71424s) started
T12 << 1462233119.27575493 DistributedAtomicCorrection (17.09335s) stopped
T12 >> 1462233119.27581000 Distribute overlap matrix (292.18099s) started
T12 >> 1462233119.27583408 blocked summation (167.32397s) started
T12 << 1462233123.07537007 blocked summation (171.12350s) stopped
T12 >> 1462233123.08486104 Scalapack redistribute (124.43084s) started
T12 << 1462233125.99319005 Scalapack redistribute (127.33917s) stopped
T12 << 1462233125.99327803 Distribute overlap matrix (298.89846s) stopped
T12 >> 1462233125.99806190 Blacs Orbital Layouts (2318.32348s) started
T12 >> 1462233126.00689292 General diagonalize (2308.87851s) started
T12 << 1462233178.10194802 General diagonalize (2360.97356s) stopped
T12 >> 1462233178.10199809 Redistribute coefs (0.34950s) started
T12 << 1462233178.11012101 Redistribute coefs (0.35762s) stopped
T12 >> 1462233178.11016703 Send coefs to domains (8.71520s) started
T12 << 1462233178.58935809 Send coefs to domains (9.19439s) stopped
T12 << 1462233178.58978105 Blacs Orbital Layouts (2370.91520s) stopped
T12 >> 1462233178.58982396 Calculate projections (76.25794s) started
T12 << 1462233180.29380798 Calculate projections (77.96193s) stopped
T12 << 1462233180.29425406 LCAO eigensolver (2808.61537s) stopped
T12 >> 1462233183.50003290 Density (699.73620s) started
T12 >> 1462233183.50004792 Pseudo density (544.44875s) started
T12 >> 1462233183.50316691 Calculate density matrix (511.42933s) started
T12 << 1462233196.43430090 Calculate density matrix (524.36047s) stopped
T12 >> 1462233196.43434906 Construct density (32.16329s) started
T12 << 1462233197.18193507 Construct density (32.91087s) stopped
T12 >> 1462233197.19979692 Symmetrize density (0.00346s) started
T12 << 1462233197.19985890 Symmetrize density (0.00352s) stopped
T12 << 1462233197.20203710 Pseudo density (558.15074s) stopped
T12 >> 1462233197.20209408 Atomic density matrices (135.92215s) started
T12 << 1462233200.42927408 Atomic density matrices (139.14933s) stopped
T12 >> 1462233200.42930603 Multipole moments (0.36302s) started
T12 << 1462233200.43822098 Multipole moments (0.37194s) stopped
T12 >> 1462233200.43824506 Normalize (0.29824s) started
T12 << 1462233200.44722104 Normalize (0.30722s) stopped
T12 >> 1462233200.44728804 Mix (18.70085s) started
T12 << 1462233200.89689708 Mix (19.15046s) stopped
T12 << 1462233200.89695311 Density (717.13312s) stopped
T12 >> 1462233200.89698291 Hamiltonian (2031.08482s) started
T12 >> 1462233200.89700007 vbar (1.18400s) started
T12 << 1462233200.92375398 vbar (1.21075s) stopped
T12 >> 1462233200.92385888 XC 3D grid (1214.92950s) started
T12 >> 1462233201.41549301 van der Waals (1173.49761s) started
T12 >> 1462233201.52539301 semilocal (248.54297s) started
T12 << 1462233207.21223211 semilocal (254.22981s) stopped
T12 >> 1462233207.29840398 redistribute (122.41887s) started
T12 << 1462233208.41600394 redistribute (123.53647s) stopped
T12 >> 1462233208.41604805 libvdwxc nonlocal (794.38431s) started
T12 << 1462233226.75227499 libvdwxc nonlocal (812.72053s) stopped
T12 >> 1462233226.75234604 redistribute (123.53650s) started
T12 << 1462233228.54442000 redistribute (125.32858s) stopped
T12 << 1462233228.54591990 van der Waals (1200.62804s) stopped
T12 << 1462233228.99485111 XC 3D grid (1243.00049s) stopped
T12 >> 1462233228.99491310 Poisson (403.70295s) started
T12 << 1462233233.28415108 Poisson (407.99219s) stopped
T12 >> 1462233233.28426290 Hartree integrate/restrict (15.85363s) started
T12 << 1462233233.32838392 Hartree integrate/restrict (15.89775s) stopped
T12 >> 1462233233.32848001 Hartree integrate/restrict (15.89782s) started
T12 << 1462233233.64668298 Hartree integrate/restrict (16.21602s) stopped
T12 >> 1462233233.64705205 Atomic (103.72277s) started
T12 >> 1462233233.64857507 XC Correction (0.00147s) started
T12 << 1462233233.64859009 XC Correction (0.00148s) stopped
T12 << 1462233236.01714611 Atomic (106.09286s) stopped
T12 >> 1462233236.01722789 Communicate (291.66769s) started
T12 << 1462233242.85582399 Communicate (298.50628s) stopped
T12 << 1462233242.85585499 Hamiltonian (2073.04369s) stopped
T12 >> 1462233242.85587811 LCAO eigensolver (2808.61538s) started
T12 >> 1462233242.85589099 Potential matrix (43.52505s) started
T12 << 1462233243.82748604 Potential matrix (44.49665s) stopped
T12 >> 1462233243.82755494 DistributedAtomicCorrection (17.09339s) started
T12 << 1462233244.19248199 DistributedAtomicCorrection (17.45832s) stopped
T12 >> 1462233244.19253206 Distribute overlap matrix (298.89847s) started
T12 >> 1462233244.19255304 blocked summation (171.12354s) started
T12 << 1462233248.01940393 blocked summation (174.95039s) stopped
T12 >> 1462233248.02893996 Scalapack redistribute (127.33921s) started
T12 << 1462233250.92862105 Scalapack redistribute (130.23889s) stopped
T12 << 1462233250.92872000 Distribute overlap matrix (305.63466s) stopped
T12 >> 1462233250.93274689 Blacs Orbital Layouts (2370.91523s) started
T12 >> 1462233250.94114089 General diagonalize (2360.97360s) started
T12 << 1462233300.15039611 General diagonalize (2410.18286s) stopped
T12 >> 1462233300.15044403 Redistribute coefs (0.35765s) started
T12 << 1462233300.15822911 Redistribute coefs (0.36544s) stopped
T12 >> 1462233300.15827489 Send coefs to domains (9.19442s) started
T12 << 1462233300.24982691 Send coefs to domains (9.28597s) stopped
T12 << 1462233300.25015306 Blacs Orbital Layouts (2420.23263s) stopped
T12 >> 1462233300.25019193 Calculate projections (77.96197s) started
T12 << 1462233301.95410395 Calculate projections (79.66589s) stopped
T12 << 1462233301.95446897 LCAO eigensolver (2867.71397s) stopped
T12 >> 1462233305.16315794 Density (717.13313s) started
T12 >> 1462233305.16317391 Pseudo density (558.15078s) started
T12 >> 1462233305.16587210 Calculate density matrix (524.36050s) started
T12 << 1462233316.92355490 Calculate density matrix (536.11818s) stopped
T12 >> 1462233316.92360497 Construct density (32.91093s) started
T12 << 1462233317.67086506 Construct density (33.65819s) stopped
T12 >> 1462233317.68728805 Symmetrize density (0.00353s) started
T12 << 1462233317.68734097 Symmetrize density (0.00359s) stopped
T12 << 1462233317.68949294 Pseudo density (570.67710s) stopped
T12 >> 1462233317.68954992 Atomic density matrices (139.14936s) started
T12 << 1462233320.87852907 Atomic density matrices (142.33834s) stopped
T12 >> 1462233320.87856007 Multipole moments (0.37195s) started
T12 << 1462233320.88745403 Multipole moments (0.38085s) stopped
T12 >> 1462233320.88747692 Normalize (0.30727s) started
T12 << 1462233320.89512897 Normalize (0.31492s) stopped
T12 >> 1462233320.89516807 Mix (19.15052s) started
T12 << 1462233321.31892800 Mix (19.57428s) stopped
T12 << 1462233321.31897998 Density (733.28895s) stopped
T12 >> 1462233321.31900811 Hamiltonian (2073.04370s) started
T12 >> 1462233321.31902504 vbar (1.21081s) started
T12 << 1462233321.34596896 vbar (1.23776s) stopped
T12 >> 1462233321.34605289 XC 3D grid (1243.00054s) started
T12 >> 1462233321.87409496 van der Waals (1200.62808s) started
T12 >> 1462233321.98419905 semilocal (254.22989s) started
T12 << 1462233327.71885610 semilocal (259.96454s) stopped
T12 >> 1462233327.80206895 redistribute (125.32862s) started
T12 << 1462233328.83869100 redistribute (126.36524s) stopped
T12 >> 1462233328.83874607 libvdwxc nonlocal (812.72058s) started
T12 << 1462233347.28314996 libvdwxc nonlocal (831.16499s) stopped
T12 >> 1462233347.28320599 redistribute (126.36528s) started
T12 << 1462233348.93819690 redistribute (128.02027s) stopped
T12 << 1462233348.93943310 van der Waals (1227.69341s) stopped
T12 << 1462233349.39391804 XC 3D grid (1271.04841s) stopped
T12 >> 1462233349.39397907 Poisson (407.99227s) started
T12 << 1462233353.66884208 Poisson (412.26714s) stopped
T12 >> 1462233353.66891098 Hartree integrate/restrict (16.21607s) started
T12 << 1462233353.71267509 Hartree integrate/restrict (16.25983s) stopped
T12 >> 1462233353.71277499 Hartree integrate/restrict (16.25990s) started
T12 << 1462233354.02700996 Hartree integrate/restrict (16.57414s) stopped
T12 >> 1462233354.02734303 Atomic (106.09288s) started
T12 >> 1462233354.02883101 XC Correction (0.00149s) started
T12 << 1462233354.02884603 XC Correction (0.00151s) stopped
T12 << 1462233356.39623690 Atomic (108.46178s) stopped
T12 >> 1462233356.39632392 Communicate (298.50630s) started
T12 << 1462233363.23026204 Communicate (305.34024s) stopped
T12 << 1462233363.23029494 Hamiltonian (2114.95499s) stopped
T12 >> 1462233363.23031807 LCAO eigensolver (2867.71399s) started
T12 >> 1462233363.23033094 Potential matrix (44.49669s) started
T12 << 1462233364.19670701 Potential matrix (45.46306s) stopped
T12 >> 1462233364.19677210 DistributedAtomicCorrection (17.45835s) started
T12 << 1462233364.55871892 DistributedAtomicCorrection (17.82030s) stopped
T12 >> 1462233364.55875206 Distribute overlap matrix (305.63467s) started
T12 >> 1462233364.55877209 blocked summation (174.95042s) started
T12 << 1462233368.38917303 blocked summation (178.78082s) stopped
T12 >> 1462233368.39906597 Scalapack redistribute (130.23896s) started
T12 << 1462233371.30624890 Scalapack redistribute (133.14614s) stopped
T12 << 1462233371.30634904 Distribute overlap matrix (312.38227s) stopped
T12 >> 1462233371.31049991 Blacs Orbital Layouts (2420.23265s) started
T12 >> 1462233371.31885791 General diagonalize (2410.18290s) started
T12 << 1462233423.36539292 General diagonalize (2462.22943s) stopped
T12 >> 1462233423.36547804 Redistribute coefs (0.36547s) started
T12 << 1462233423.37440205 Redistribute coefs (0.37439s) stopped
T12 >> 1462233423.37445498 Send coefs to domains (9.28600s) started
T12 << 1462233424.16199207 Send coefs to domains (10.07354s) stopped
T12 << 1462233424.16243601 Blacs Orbital Layouts (2473.08459s) stopped
T12 >> 1462233424.16248012 Calculate projections (79.66594s) started
T12 << 1462233425.87890100 Calculate projections (81.38236s) stopped
T12 << 1462233425.87935901 LCAO eigensolver (2930.36303s) stopped
T12 >> 1462233429.07500911 Density (733.28896s) started
T12 >> 1462233429.07502389 Pseudo density (570.67715s) started
T12 >> 1462233429.07727695 Calculate density matrix (536.11822s) started
T12 << 1462233440.85677004 Calculate density matrix (547.89771s) stopped
T12 >> 1462233440.85683107 Construct density (33.65823s) started
T12 << 1462233441.60655808 Construct density (34.40796s) stopped
T12 >> 1462233441.62049198 Symmetrize density (0.00361s) started
T12 << 1462233441.62055802 Symmetrize density (0.00367s) stopped
T12 << 1462233441.62272692 Pseudo density (583.22485s) stopped
T12 >> 1462233441.62279606 Atomic density matrices (142.33836s) started
T12 << 1462233444.81121802 Atomic density matrices (145.52678s) stopped
T12 >> 1462233444.81125402 Multipole moments (0.38086s) started
T12 << 1462233444.82021308 Multipole moments (0.38982s) stopped
T12 >> 1462233444.82023692 Normalize (0.31495s) started
T12 << 1462233444.82702804 Normalize (0.32174s) stopped
T12 >> 1462233444.82713795 Mix (19.57433s) started
T12 << 1462233445.28786993 Mix (20.03506s) stopped
T12 << 1462233445.28793192 Density (749.50189s) stopped
T12 >> 1462233445.28796005 Hamiltonian (2114.95500s) started
T12 >> 1462233445.28797603 vbar (1.23781s) started
T12 << 1462233445.31848192 vbar (1.26831s) stopped
T12 >> 1462233445.31857300 XC 3D grid (1271.04846s) started
T12 >> 1462233445.79720807 van der Waals (1227.69344s) started
T12 >> 1462233445.91240811 semilocal (259.96462s) started
T12 << 1462233451.64033103 semilocal (265.69254s) stopped
T12 >> 1462233451.71397305 redistribute (128.02032s) started
T12 << 1462233452.78303909 redistribute (129.08939s) stopped
T12 >> 1462233452.78311396 libvdwxc nonlocal (831.16502s) started
T12 << 1462233471.03028297 libvdwxc nonlocal (849.41219s) stopped
T12 >> 1462233471.03036594 redistribute (129.08944s) started
T12 << 1462233473.12433696 redistribute (131.18341s) stopped
T12 << 1462233473.12576199 van der Waals (1255.02199s) stopped
T12 << 1462233473.57893991 XC 3D grid (1299.30882s) stopped
T12 >> 1462233473.57898998 Poisson (412.26719s) started
T12 << 1462233476.51231694 Poisson (415.20051s) stopped
T12 >> 1462233476.51247907 Hartree integrate/restrict (16.57417s) started
T12 << 1462233476.55005503 Hartree integrate/restrict (16.61174s) stopped
T12 >> 1462233476.55015397 Hartree integrate/restrict (16.61180s) started
T12 << 1462233476.87878704 Hartree integrate/restrict (16.94044s) stopped
T12 >> 1462233476.87913299 Atomic (108.46180s) started
T12 >> 1462233476.88061905 XC Correction (0.00152s) started
T12 << 1462233476.88063407 XC Correction (0.00153s) stopped
T12 << 1462233479.25350308 Atomic (110.83617s) stopped
T12 >> 1462233479.25358510 Communicate (305.34026s) started
T12 << 1462233486.08486891 Communicate (312.17155s) stopped
T12 << 1462233486.08491206 Hamiltonian (2155.75195s) stopped
T12 >> 1462233486.08493805 LCAO eigensolver (2930.36305s) started
T12 >> 1462233486.08495212 Potential matrix (45.46310s) started
T12 << 1462233487.05834889 Potential matrix (46.43650s) stopped
T12 >> 1462233487.05842900 DistributedAtomicCorrection (17.82032s) started
T12 << 1462233487.43107510 DistributedAtomicCorrection (18.19297s) stopped
T12 >> 1462233487.43112993 Distribute overlap matrix (312.38228s) started
T12 >> 1462233487.43115401 blocked summation (178.78085s) started
T12 << 1462233491.22717190 blocked summation (182.57687s) stopped
T12 >> 1462233491.23657990 Scalapack redistribute (133.14620s) started
T12 << 1462233494.13556004 Scalapack redistribute (136.04518s) stopped
T12 << 1462233494.13566589 Distribute overlap matrix (319.08682s) stopped
T12 >> 1462233494.14035201 Blacs Orbital Layouts (2473.08461s) started
T12 >> 1462233494.14901209 General diagonalize (2462.22951s) started
T12 << 1462233547.46321392 General diagonalize (2515.54371s) stopped
T12 >> 1462233547.46326208 Redistribute coefs (0.37443s) started
T12 << 1462233547.47138309 Redistribute coefs (0.38255s) stopped
T12 >> 1462233547.47142792 Send coefs to domains (10.07358s) started
T12 << 1462233547.60217905 Send coefs to domains (10.20433s) stopped
T12 << 1462233547.60256696 Blacs Orbital Layouts (2526.54682s) stopped
T12 >> 1462233547.60260510 Calculate projections (81.38242s) started
T12 << 1462233549.30636191 Calculate projections (83.08617s) stopped
T12 << 1462233549.30683088 LCAO eigensolver (2993.58495s) stopped
T12 >> 1462233552.51566696 Density (749.50190s) started
T12 >> 1462233552.51568198 Pseudo density (583.22491s) started
T12 >> 1462233552.51887703 Calculate density matrix (547.89775s) started
T12 << 1462233564.43547797 Calculate density matrix (559.81435s) stopped
T12 >> 1462233564.43552804 Construct density (34.40802s) started
T12 << 1462233565.18347812 Construct density (35.15597s) stopped
T12 >> 1462233565.20006394 Symmetrize density (0.00369s) started
T12 << 1462233565.20012093 Symmetrize density (0.00375s) stopped
T12 << 1462233565.20228601 Pseudo density (595.91151s) stopped
T12 >> 1462233565.20234299 Atomic density matrices (145.52681s) started
T12 << 1462233568.31642103 Atomic density matrices (148.64089s) stopped
T12 >> 1462233568.31645393 Multipole moments (0.38984s) started
T12 << 1462233568.32536411 Multipole moments (0.39875s) stopped
T12 >> 1462233568.32538795 Normalize (0.32183s) started
T12 << 1462233568.33439803 Normalize (0.33084s) stopped
T12 >> 1462233568.33444810 Mix (20.03512s) started
T12 << 1462233568.79199195 Mix (20.49267s) stopped
T12 << 1462233568.79206204 Density (765.77829s) stopped
T12 >> 1462233568.79208803 Hamiltonian (2155.75196s) started
T12 >> 1462233568.79210210 vbar (1.26837s) started
T12 << 1462233568.83242202 vbar (1.30869s) stopped
T12 >> 1462233568.83254409 XC 3D grid (1299.30886s) started
T12 >> 1462233569.31172204 van der Waals (1255.02203s) started
T12 >> 1462233569.42155504 semilocal (265.69265s) started
T12 << 1462233575.19426394 semilocal (271.46536s) stopped
T12 >> 1462233575.27486706 redistribute (131.18345s) started
T12 << 1462233576.25879908 redistribute (132.16739s) stopped
T12 >> 1462233576.25884390 libvdwxc nonlocal (849.41225s) started
T12 << 1462233594.80446005 libvdwxc nonlocal (867.95786s) stopped
T12 >> 1462233594.80452609 redistribute (132.16742s) started
T12 << 1462233596.46963096 redistribute (133.83252s) stopped
T12 << 1462233596.47086692 van der Waals (1282.18118s) stopped
T12 << 1462233596.92698097 XC 3D grid (1327.40330s) stopped
T12 >> 1462233596.92703295 Poisson (415.20064s) started
T12 << 1462233601.27144408 Poisson (419.54505s) stopped
T12 >> 1462233601.27155304 Hartree integrate/restrict (16.94048s) started
T12 << 1462233601.32023311 Hartree integrate/restrict (16.98916s) stopped
T12 >> 1462233601.32032299 Hartree integrate/restrict (16.98922s) started
T12 << 1462233601.63638091 Hartree integrate/restrict (17.30528s) stopped
T12 >> 1462233601.63673806 Atomic (110.83619s) started
T12 >> 1462233601.63839197 XC Correction (0.00154s) started
T12 << 1462233601.63842106 XC Correction (0.00157s) stopped
T12 << 1462233604.00618601 Atomic (113.20564s) stopped
T12 >> 1462233604.00626707 Communicate (312.17157s) started
T12 << 1462233610.88503194 Communicate (319.05034s) stopped
T12 << 1462233610.88506508 Hamiltonian (2197.84494s) stopped
T12 >> 1462233610.88508797 LCAO eigensolver (2993.58496s) started
T12 >> 1462233610.88510108 Potential matrix (46.43654s) started
T12 << 1462233611.85162902 Potential matrix (47.40307s) stopped
T12 >> 1462233611.85169911 DistributedAtomicCorrection (18.19301s) started
T12 << 1462233612.22044110 DistributedAtomicCorrection (18.56175s) stopped
T12 >> 1462233612.22049308 Distribute overlap matrix (319.08683s) started
T12 >> 1462233612.22051406 blocked summation (182.57690s) started
T12 << 1462233616.01254106 blocked summation (186.36893s) stopped
T12 >> 1462233616.02233410 Scalapack redistribute (136.04524s) started
T12 << 1462233618.92768002 Scalapack redistribute (138.95059s) stopped
T12 << 1462233618.92777896 Distribute overlap matrix (325.79412s) stopped
T12 >> 1462233618.93244600 Blacs Orbital Layouts (2526.54684s) started
T12 >> 1462233618.94112206 General diagonalize (2515.54375s) started
T12 << 1462233669.06423497 General diagonalize (2565.66686s) stopped
T12 >> 1462233669.06427908 Redistribute coefs (0.38258s) started
T12 << 1462233669.07180500 Redistribute coefs (0.39011s) stopped
T12 >> 1462233669.07185102 Send coefs to domains (10.20437s) started
T12 << 1462233669.16380095 Send coefs to domains (10.29632s) stopped
T12 << 1462233669.16436291 Blacs Orbital Layouts (2576.77875s) stopped
T12 >> 1462233669.16440105 Calculate projections (83.08622s) started
T12 << 1462233670.86877799 Calculate projections (84.79060s) stopped
T12 << 1462233670.86911511 LCAO eigensolver (3053.56899s) stopped
T12 << 1462233674.07921100 SCF-cycle (6173.11002s) stopped
T12 >> 1462233676.12546802 Force calculation (72.44247s) started
T12 >> 1462233676.12551403 LCAO forces (71.63950s) started
T12 >> 1462233676.12584901 Initial (0.00002s) started
T12 << 1462233676.12586093 Initial (0.00003s) stopped
T12 >> 1462233676.13136005 Get density matrix (38.50828s) started
T12 << 1462233685.24068689 Get density matrix (47.61760s) stopped
T12 >> 1462233685.24072790 Potential (5.97314s) started
T12 << 1462233691.14953899 Potential (11.88195s) stopped
T12 >> 1462233691.14959311 Get density matrix (47.61763s) started
T12 << 1462233720.47946405 Get density matrix (76.94751s) stopped
T12 >> 1462233720.47952604 Prepare TCI loop (1.88441s) started
T12 >> 1462233720.47995806 Get neighbors (1.87343s) started
T12 << 1462233722.36404610 Get neighbors (3.75752s) stopped
T12 >> 1462233722.36445689 broadcast dH (0.01056s) started
T12 << 1462233722.77054811 broadcast dH (0.41665s) stopped
T12 << 1462233722.77059197 Prepare TCI loop (4.17548s) stopped
T12 >> 1462233722.77061009 Not so complicated loop (0.12413s) started
T12 << 1462233722.88202190 Not so complicated loop (0.23554s) stopped
T12 >> 1462233722.99278212 Complicated loop (16.22140s) started
T12 << 1462233739.87435389 Complicated loop (33.10297s) stopped
T12 >> 1462233739.87525702 Wait for sum (8.83454s) started
T12 << 1462233749.05030298 Wait for sum (18.00958s) stopped
T12 << 1462233749.05034304 LCAO forces (144.56433s) stopped
T12 << 1462233749.90731096 Force calculation (146.22431s) stopped
T12 >> 1462233749.92495704 Initialization (226.84540s) started
T12 << 1462233749.92510891 Initialization (226.84555s) stopped
T12 >> 1462233749.92531109 Initialization (226.84557s) started
T12 << 1462233749.92542791 Initialization (226.84569s) stopped
T12 >> 1462233749.92555094 Initialization (226.84570s) started
T12 << 1462233749.92566490 Initialization (226.84582s) stopped
T12 >> 1462233770.24426508 Initialization (226.84583s) started
T12 >> 1462233770.33957410 Basic WFS set positions (0.15823s) started
T12 >> 1462233770.33960009 Redistribute (0.00302s) started
T12 << 1462233770.33973598 Redistribute (0.00315s) stopped
T12 << 1462233770.41962409 Basic WFS set positions (0.23828s) stopped
T12 >> 1462233770.41964889 Basis functions set positions (2.99346s) started
T12 << 1462233771.92395902 Basis functions set positions (4.49777s) stopped
T12 >> 1462233771.92465401 TCI: Calculate S, T, P (27.53192s) started
T12 << 1462233785.93781996 TCI: Calculate S, T, P (41.54508s) stopped
T12 >> 1462233785.93787289 blocked summation (28.60239s) started
T12 << 1462233799.82422495 blocked summation (42.48874s) stopped
T12 >> 1462233799.82944012 Scalapack redistribute (10.97318s) started
T12 << 1462233805.63180494 Scalapack redistribute (16.77555s) stopped
T12 >> 1462233805.63283610 blocked summation (42.48882s) started
T12 << 1462233806.62661505 blocked summation (43.48260s) stopped
T12 >> 1462233806.63654709 Scalapack redistribute (16.77560s) started
T12 << 1462233806.87654710 Scalapack redistribute (17.01560s) stopped
T12 >> 1462233806.87843800 Redistribute (0.00102s) started
T12 << 1462233806.87893200 Redistribute (0.00151s) stopped
T12 >> 1462233808.34346294 Redistribute (0.00153s) started
T12 << 1462233808.34386897 Redistribute (0.00194s) stopped
T12 >> 1462233808.35970497 LCAO WFS Initialize (148.37645s) started
T12 >> 1462233808.35980201 Density initialize from wavefunctions (13.96612s) started
T12 >> 1462233808.36647701 Calculate density matrix (9.80458s) started
T12 << 1462233819.24711490 Calculate density matrix (20.68522s) stopped
T12 >> 1462233819.24716210 Construct density (0.75086s) started
T12 << 1462233819.98995900 Construct density (1.49365s) stopped
T12 >> 1462233820.00436211 Symmetrize density (0.00008s) started
T12 << 1462233820.00441790 Symmetrize density (0.00013s) stopped
T12 << 1462233823.43441701 Density initialize from wavefunctions (29.04074s) stopped
T12 >> 1462233823.43468499 Hamiltonian (133.49703s) started
T12 >> 1462233823.43470192 vbar (0.06848s) started
T12 << 1462233823.45874596 vbar (0.09253s) stopped
T12 >> 1462233823.45886493 XC 3D grid (55.22805s) started
T12 >> 1462233824.00151992 van der Waals (53.37488s) started
T12 >> 1462233824.11124492 semilocal (11.66581s) started
T12 << 1462233829.92555404 semilocal (17.48012s) stopped
T12 >> 1462233829.99749088 redistribute (5.35226s) started
T12 << 1462233831.00358605 redistribute (6.35835s) stopped
T12 >> 1462233831.00363398 libvdwxc nonlocal (35.96874s) started
T12 << 1462233849.58717299 libvdwxc nonlocal (54.55228s) stopped
T12 >> 1462233849.58723688 redistribute (6.35838s) started
T12 << 1462233851.24241495 redistribute (8.01356s) stopped
T12 << 1462233851.24379802 van der Waals (80.61716s) stopped
T12 << 1462233851.69969296 XC 3D grid (83.46888s) stopped
T12 >> 1462233851.69973397 Poisson (55.20246s) started
T12 << 1462233864.56583691 Poisson (68.06856s) stopped
T12 >> 1462233864.56592798 Hartree integrate/restrict (0.76448s) started
T12 << 1462233864.61544895 Hartree integrate/restrict (0.81400s) stopped
T12 >> 1462233864.61548901 Hartree integrate/restrict (0.81403s) started
T12 << 1462233864.92560196 Hartree integrate/restrict (1.12414s) stopped
T12 >> 1462233864.92594790 Atomic (4.78253s) started
T12 >> 1462233864.92789292 XC Correction (0.00012s) started
T12 << 1462233864.92790794 XC Correction (0.00013s) stopped
T12 << 1462233867.26576495 Atomic (7.12235s) stopped
T12 >> 1462233867.26594305 Communicate (17.42533s) started
T12 << 1462233876.87422800 Communicate (27.03361s) stopped
T12 << 1462233876.87426209 Hamiltonian (186.93661s) stopped
T12 << 1462233876.87427592 LCAO WFS Initialize (216.89102s) stopped
T12 << 1462233876.88636088 Initialization (333.48793s) stopped
T12 >> 1462233876.91165090 SCF-cycle (6173.11004s) started
T12 >> 1462233876.91168308 LCAO eigensolver (3053.56901s) started
T12 >> 1462233876.91169500 Potential matrix (47.40311s) started
T12 << 1462233877.86594009 Potential matrix (48.35736s) stopped
T12 >> 1462233877.86601090 DistributedAtomicCorrection (18.56179s) started
T12 << 1462233878.24034405 DistributedAtomicCorrection (18.93612s) stopped
T12 >> 1462233878.24039602 Distribute overlap matrix (325.79413s) started
T12 >> 1462233878.24041605 blocked summation (186.36896s) started
T12 << 1462233882.07861209 blocked summation (190.20716s) stopped
T12 >> 1462233882.08753300 Scalapack redistribute (138.95064s) started
T12 << 1462233885.02558589 Scalapack redistribute (141.88870s) stopped
T12 << 1462233885.02568698 Distribute overlap matrix (332.57942s) stopped
T12 >> 1462233885.02948809 Blacs Orbital Layouts (2576.77877s) started
T12 >> 1462233885.03794003 General diagonalize (2565.66689s) started
T12 << 1462233944.44283199 General diagonalize (2625.07179s) stopped
T12 >> 1462233944.44289994 Redistribute coefs (0.39014s) started
T12 << 1462233944.45086408 Redistribute coefs (0.39810s) stopped
T12 >> 1462233944.45091701 Send coefs to domains (10.29635s) started
T12 << 1462233944.54866695 Send coefs to domains (10.39410s) stopped
T12 << 1462233944.54923701 Blacs Orbital Layouts (2636.29852s) stopped
T12 >> 1462233944.54926395 Calculate projections (84.79064s) started
T12 << 1462233946.25457311 Calculate projections (86.49595s) stopped
T12 << 1462233946.25475907 LCAO eigensolver (3122.91209s) stopped
T12 >> 1462233949.47540998 Density (765.77831s) started
T12 >> 1462233949.47542500 Pseudo density (595.91156s) started
T12 >> 1462233949.47803903 Calculate density matrix (559.81439s) started
T12 << 1462233961.23775196 Calculate density matrix (571.57410s) stopped
T12 >> 1462233961.23780489 Construct density (35.15602s) started
T12 << 1462233961.98270893 Construct density (35.90093s) stopped
T12 >> 1462233961.99764490 Symmetrize density (0.00376s) started
T12 << 1462233961.99770999 Symmetrize density (0.00383s) stopped
T12 << 1462233961.99972105 Pseudo density (608.43585s) stopped
T12 >> 1462233961.99979210 Atomic density matrices (148.64091s) started
T12 << 1462233965.17842889 Atomic density matrices (151.81955s) stopped
T12 >> 1462233965.17846203 Multipole moments (0.39876s) started
T12 << 1462233965.18770599 Multipole moments (0.40801s) stopped
T12 >> 1462233965.18773389 Normalize (0.33087s) started
T12 << 1462233965.19459391 Normalize (0.33773s) stopped
T12 >> 1462233965.19467306 Mix (20.49274s) started
T12 << 1462233965.53972411 Mix (20.83779s) stopped
T12 << 1462233965.53976703 Density (781.84266s) stopped
T12 >> 1462233965.53980303 Hamiltonian (2197.84495s) started
T12 >> 1462233965.53981805 vbar (1.30876s) started
T12 << 1462233965.56555510 vbar (1.33450s) stopped
T12 >> 1462233965.56569695 XC 3D grid (1327.40334s) started
T12 >> 1462233966.07286000 van der Waals (1282.18121s) started
T12 >> 1462233966.18028998 semilocal (271.46543s) started
T12 << 1462233971.95780897 semilocal (277.24295s) stopped
T12 >> 1462233972.03084302 redistribute (133.83256s) started
T12 << 1462233973.04334593 redistribute (134.84506s) stopped
T12 >> 1462233973.04339290 libvdwxc nonlocal (867.95791s) started
T12 << 1462233992.02214408 libvdwxc nonlocal (886.93666s) stopped
T12 >> 1462233992.02220702 redistribute (134.84510s) started
T12 << 1462233993.70554996 redistribute (136.52844s) stopped
T12 << 1462233993.70685291 van der Waals (1309.81521s) stopped
T12 << 1462233994.16386294 XC 3D grid (1356.00151s) stopped
T12 >> 1462233994.16392112 Poisson (419.54514s) started
T12 << 1462234003.24402308 Poisson (428.62524s) stopped
T12 >> 1462234003.24408698 Hartree integrate/restrict (17.30531s) started
T12 << 1462234003.29498196 Hartree integrate/restrict (17.35621s) stopped
T12 >> 1462234003.29502201 Hartree integrate/restrict (17.35623s) started
T12 << 1462234003.58609796 Hartree integrate/restrict (17.64731s) stopped
T12 >> 1462234003.58643603 Atomic (113.20566s) started
T12 >> 1462234003.58833694 XC Correction (0.00159s) started
T12 << 1462234003.58835196 XC Correction (0.00160s) stopped
T12 << 1462234005.98392010 Atomic (115.60315s) stopped
T12 >> 1462234005.98409891 Communicate (319.05036s) started
T12 << 1462234014.65707111 Communicate (327.72333s) stopped
T12 << 1462234014.65710092 Hamiltonian (2246.96225s) stopped
T12 >> 1462234014.65712404 LCAO eigensolver (3122.91211s) started
T12 >> 1462234014.65713596 Potential matrix (48.35740s) started
T12 << 1462234015.61889505 Potential matrix (49.31916s) stopped
T12 >> 1462234015.61897993 DistributedAtomicCorrection (18.93616s) started
T12 << 1462234015.98986912 DistributedAtomicCorrection (19.30705s) stopped
T12 >> 1462234015.98992491 Distribute overlap matrix (332.57943s) started
T12 >> 1462234015.98994589 blocked summation (190.20719s) started
T12 << 1462234019.67736411 blocked summation (193.89461s) stopped
T12 >> 1462234019.68677998 Scalapack redistribute (141.88875s) started
T12 << 1462234022.75046611 Scalapack redistribute (144.95244s) stopped
T12 << 1462234022.75053501 Distribute overlap matrix (339.34004s) stopped
T12 >> 1462234022.75470495 Blacs Orbital Layouts (2636.29854s) started
T12 >> 1462234022.76338601 General diagonalize (2625.07184s) started
T12 << 1462234072.93889403 General diagonalize (2675.24735s) stopped
T12 >> 1462234072.93894005 Redistribute coefs (0.39814s) started
T12 << 1462234072.94690204 Redistribute coefs (0.40611s) stopped
T12 >> 1462234072.94696593 Send coefs to domains (10.39413s) started
T12 << 1462234073.23088408 Send coefs to domains (10.67805s) stopped
T12 << 1462234073.23127508 Blacs Orbital Layouts (2686.77511s) stopped
T12 >> 1462234073.23132110 Calculate projections (86.49600s) started
T12 << 1462234074.93621397 Calculate projections (88.20090s) stopped
T12 << 1462234074.93639493 LCAO eigensolver (3183.19138s) stopped
T12 >> 1462234078.13570809 Density (781.84269s) started
T12 >> 1462234078.13572407 Pseudo density (608.43590s) started
T12 >> 1462234078.13776302 Calculate density matrix (571.57414s) started
T12 << 1462234089.89108491 Calculate density matrix (583.32746s) stopped
T12 >> 1462234089.89113307 Construct density (35.90098s) started
T12 << 1462234090.63459897 Construct density (36.64444s) stopped
T12 >> 1462234090.64855003 Symmetrize density (0.00384s) started
T12 << 1462234090.64861393 Symmetrize density (0.00391s) stopped
T12 << 1462234090.65061808 Pseudo density (620.95080s) stopped
T12 >> 1462234090.65067601 Atomic density matrices (151.81957s) started
T12 << 1462234093.79949594 Atomic density matrices (154.96839s) stopped
T12 >> 1462234093.79952908 Multipole moments (0.40803s) started
T12 << 1462234093.80870199 Multipole moments (0.41720s) stopped
T12 >> 1462234093.80872893 Normalize (0.33779s) started
T12 << 1462234093.81545401 Normalize (0.34452s) stopped
T12 >> 1462234093.81549501 Mix (20.83783s) started
T12 << 1462234094.25044489 Mix (21.27278s) stopped
T12 << 1462234094.25049591 Density (797.95748s) stopped
T12 >> 1462234094.25052595 Hamiltonian (2246.96226s) started
T12 >> 1462234094.25054097 vbar (1.33458s) started
T12 << 1462234094.27023101 vbar (1.35427s) stopped
T12 >> 1462234094.27031398 XC 3D grid (1356.00155s) started
T12 >> 1462234094.77093911 van der Waals (1309.81526s) started
T12 >> 1462234094.87744188 semilocal (277.24304s) started
T12 << 1462234100.72565198 semilocal (283.09125s) stopped
T12 >> 1462234100.80164003 redistribute (136.52847s) started
T12 << 1462234101.72596908 redistribute (137.45280s) stopped
T12 >> 1462234101.72601795 libvdwxc nonlocal (886.93671s) started
T12 << 1462234120.31540394 libvdwxc nonlocal (905.52610s) stopped
T12 >> 1462234120.31546903 redistribute (137.45284s) started
T12 << 1462234121.98149991 redistribute (139.11887s) stopped
T12 << 1462234121.98281002 van der Waals (1337.02713s) stopped
T12 << 1462234122.43418407 XC 3D grid (1384.16542s) stopped
T12 >> 1462234122.43422508 Poisson (428.62528s) started
T12 << 1462234131.10249805 Poisson (437.29356s) stopped
T12 >> 1462234131.10256505 Hartree integrate/restrict (17.64734s) started
T12 << 1462234131.15190697 Hartree integrate/restrict (17.69668s) stopped
T12 >> 1462234131.15194988 Hartree integrate/restrict (17.69670s) started
T12 << 1462234131.45948100 Hartree integrate/restrict (18.00424s) stopped
T12 >> 1462234131.45988011 Atomic (115.60317s) started
T12 >> 1462234131.46161795 XC Correction (0.00161s) started
T12 << 1462234131.46163702 XC Correction (0.00163s) stopped
T12 << 1462234133.84573007 Atomic (117.98902s) stopped
T12 >> 1462234133.84589911 Communicate (327.72335s) started
T12 << 1462234141.15702796 Communicate (335.03448s) stopped
T12 << 1462234141.15705490 Hamiltonian (2293.86879s) stopped
T12 >> 1462234141.15707588 LCAO eigensolver (3183.19140s) started
T12 >> 1462234141.15708804 Potential matrix (49.31921s) started
T12 << 1462234142.12025595 Potential matrix (50.28237s) stopped
T12 >> 1462234142.12034297 DistributedAtomicCorrection (19.30709s) started
T12 << 1462234142.49494195 DistributedAtomicCorrection (19.68169s) stopped
T12 >> 1462234142.49499607 Distribute overlap matrix (339.34006s) started
T12 >> 1462234142.49501801 blocked summation (193.89464s) started
T12 << 1462234146.15770102 blocked summation (197.55732s) stopped
T12 >> 1462234146.16671205 Scalapack redistribute (144.95249s) started
T12 << 1462234149.25131202 Scalapack redistribute (148.03709s) stopped
T12 << 1462234149.25139093 Distribute overlap matrix (346.09645s) stopped
T12 >> 1462234149.25574899 Blacs Orbital Layouts (2686.77513s) started
T12 >> 1462234149.26466703 General diagonalize (2675.24739s) started
T12 << 1462234202.54801393 General diagonalize (2728.53074s) stopped
T12 >> 1462234202.54805899 Redistribute coefs (0.40616s) started
T12 << 1462234202.55613804 Redistribute coefs (0.41424s) stopped
T12 >> 1462234202.55618501 Send coefs to domains (10.67808s) started
T12 << 1462234202.65751004 Send coefs to domains (10.77941s) stopped
T12 << 1462234202.65793896 Blacs Orbital Layouts (2740.17732s) stopped
T12 >> 1462234202.65798593 Calculate projections (88.20094s) started
T12 << 1462234204.36357093 Calculate projections (89.90653s) stopped
T12 << 1462234204.36375499 LCAO eigensolver (3246.39808s) stopped
T12 >> 1462234207.58561611 Density (797.95749s) started
T12 >> 1462234207.58562994 Pseudo density (620.95084s) started
T12 >> 1462234207.58794689 Calculate density matrix (583.32749s) started
T12 << 1462234219.29512501 Calculate density matrix (595.03467s) stopped
T12 >> 1462234219.29517198 Construct density (36.64450s) started
T12 << 1462234220.03883195 Construct density (37.38816s) stopped
T12 >> 1462234220.05275011 Symmetrize density (0.00392s) started
T12 << 1462234220.05282211 Symmetrize density (0.00400s) stopped
T12 << 1462234220.05483699 Pseudo density (633.42005s) stopped
T12 >> 1462234220.05489612 Atomic density matrices (154.96842s) started
T12 << 1462234223.20527005 Atomic density matrices (158.11879s) stopped
T12 >> 1462234223.20530295 Multipole moments (0.41721s) started
T12 << 1462234223.21446490 Multipole moments (0.42638s) stopped
T12 >> 1462234223.21449208 Normalize (0.34455s) started
T12 << 1462234223.22121096 Normalize (0.35127s) stopped
T12 >> 1462234223.22125697 Mix (21.27283s) started
T12 << 1462234223.58776498 Mix (21.63934s) stopped
T12 << 1462234223.58781910 Density (813.95969s) stopped
T12 >> 1462234223.58784103 Hamiltonian (2293.86880s) started
T12 >> 1462234223.58785510 vbar (1.35432s) started
T12 << 1462234223.60697293 vbar (1.37344s) stopped
T12 >> 1462234223.60706210 XC 3D grid (1384.16546s) started
T12 >> 1462234224.27957797 van der Waals (1337.02718s) started
T12 >> 1462234224.38787198 semilocal (283.09134s) started
T12 << 1462234230.24337411 semilocal (288.94684s) stopped
T12 >> 1462234230.32056904 redistribute (139.11890s) started
T12 << 1462234231.24720311 redistribute (140.04554s) stopped
T12 >> 1462234231.24725103 libvdwxc nonlocal (905.52614s) started
T12 << 1462234249.83797002 libvdwxc nonlocal (924.11686s) stopped
T12 >> 1462234249.83802891 redistribute (140.04557s) started
T12 << 1462234251.52163601 redistribute (141.72918s) stopped
T12 << 1462234251.52279496 van der Waals (1364.27039s) stopped
T12 << 1462234251.98588204 XC 3D grid (1412.54428s) stopped
T12 >> 1462234251.98592591 Poisson (437.29360s) started
T12 << 1462234259.32630301 Poisson (444.63398s) stopped
T12 >> 1462234259.32637095 Hartree integrate/restrict (18.00429s) started
T12 << 1462234259.38318801 Hartree integrate/restrict (18.06111s) stopped
T12 >> 1462234259.38324189 Hartree integrate/restrict (18.06114s) started
T12 << 1462234259.71053410 Hartree integrate/restrict (18.38843s) stopped
T12 >> 1462234259.71092296 Atomic (117.98904s) started
T12 >> 1462234259.71270704 XC Correction (0.00164s) started
T12 << 1462234259.71273589 XC Correction (0.00167s) stopped
T12 << 1462234262.09206796 Atomic (120.37019s) stopped
T12 >> 1462234262.09221792 Communicate (335.03450s) started
T12 << 1462234269.42357898 Communicate (342.36586s) stopped
T12 << 1462234269.42361093 Hamiltonian (2339.70457s) stopped
T12 >> 1462234269.42363405 LCAO eigensolver (3246.39810s) started
T12 >> 1462234269.42364812 Potential matrix (50.28242s) started
T12 << 1462234270.38570595 Potential matrix (51.24448s) stopped
T12 >> 1462234270.38579702 DistributedAtomicCorrection (19.68173s) started
T12 << 1462234270.76023507 DistributedAtomicCorrection (20.05616s) stopped
T12 >> 1462234270.76028895 Distribute overlap matrix (346.09646s) started
T12 >> 1462234270.76030993 blocked summation (197.55735s) started
T12 << 1462234274.43273902 blocked summation (201.22978s) stopped
T12 >> 1462234274.44208694 Scalapack redistribute (148.03715s) started
T12 << 1462234277.50871897 Scalapack redistribute (151.10378s) stopped
T12 << 1462234277.50881004 Distribute overlap matrix (352.84499s) stopped
T12 >> 1462234277.51340008 Blacs Orbital Layouts (2740.17734s) started
T12 >> 1462234277.52255392 General diagonalize (2728.53077s) started
T12 << 1462234330.86607790 General diagonalize (2781.87430s) stopped
T12 >> 1462234330.86615300 Redistribute coefs (0.41427s) started
T12 << 1462234330.87511611 Redistribute coefs (0.42323s) stopped
T12 >> 1462234330.87518096 Send coefs to domains (10.77944s) started
T12 << 1462234330.97136402 Send coefs to domains (10.87562s) stopped
T12 << 1462234330.97204089 Blacs Orbital Layouts (2793.63598s) stopped
T12 >> 1462234330.97210503 Calculate projections (89.90658s) started
T12 << 1462234332.68667793 Calculate projections (91.62115s) stopped
T12 << 1462234332.68691802 LCAO eigensolver (3309.66138s) stopped
T12 >> 1462234335.87216806 Density (813.95971s) started
T12 >> 1462234335.87218189 Pseudo density (633.42010s) started
T12 >> 1462234335.87519002 Calculate density matrix (595.03470s) started
T12 << 1462234347.63120794 Calculate density matrix (606.79072s) stopped
T12 >> 1462234347.63126493 Construct density (37.38821s) started
T12 << 1462234348.37309194 Construct density (38.13003s) stopped
T12 >> 1462234348.38933206 Symmetrize density (0.00402s) started
T12 << 1462234348.38940692 Symmetrize density (0.00409s) stopped
T12 << 1462234348.39191294 Pseudo density (645.93983s) stopped
T12 >> 1462234348.39197993 Atomic density matrices (158.11882s) started
T12 << 1462234351.57188392 Atomic density matrices (161.29872s) stopped
T12 >> 1462234351.57191992 Multipole moments (0.42639s) started
T12 << 1462234351.58115196 Multipole moments (0.43563s) stopped
T12 >> 1462234351.58119798 Normalize (0.35130s) started
T12 << 1462234351.58886695 Normalize (0.35897s) stopped
T12 >> 1462234351.58891892 Mix (21.63939s) started
T12 << 1462234352.00028205 Mix (22.05075s) stopped
T12 << 1462234352.00031710 Density (830.08786s) stopped
T12 >> 1462234352.00034189 Hamiltonian (2339.70458s) started
T12 >> 1462234352.00035906 vbar (1.37349s) started
T12 << 1462234352.02281809 vbar (1.39595s) stopped
T12 >> 1462234352.02295709 XC 3D grid (1412.54431s) started
T12 >> 1462234352.50662899 van der Waals (1364.27043s) started
T12 >> 1462234352.62305999 semilocal (288.94692s) started
T12 << 1462234358.35284710 semilocal (294.67671s) stopped
T12 >> 1462234358.42886901 redistribute (141.72922s) started
T12 << 1462234359.49550891 redistribute (142.79586s) stopped
T12 >> 1462234359.49556303 libvdwxc nonlocal (924.11691s) started
T12 << 1462234377.90646195 libvdwxc nonlocal (942.52781s) stopped
T12 >> 1462234377.90655398 redistribute (142.79590s) started
T12 << 1462234380.13255906 redistribute (145.02190s) stopped
T12 << 1462234380.13355398 van der Waals (1391.89736s) stopped
T12 << 1462234380.58590889 XC 3D grid (1441.10726s) stopped
T12 >> 1462234380.58595490 Poisson (444.63403s) started
T12 << 1462234386.46812510 Poisson (450.51620s) stopped
T12 >> 1462234386.46829104 Hartree integrate/restrict (18.38848s) started
T12 << 1462234386.50533509 Hartree integrate/restrict (18.42553s) stopped
T12 >> 1462234386.50551009 Hartree integrate/restrict (18.42565s) started
T12 << 1462234386.84327292 Hartree integrate/restrict (18.76341s) stopped
T12 >> 1462234386.84363389 Atomic (120.37021s) started
T12 >> 1462234386.84532905 XC Correction (0.00169s) started
T12 << 1462234386.84534502 XC Correction (0.00170s) stopped
T12 << 1462234389.21714401 Atomic (122.74372s) stopped
T12 >> 1462234389.21729112 Communicate (342.36588s) started
T12 << 1462234396.61691809 Communicate (349.76551s) stopped
T12 << 1462234396.61694598 Hamiltonian (2384.32119s) stopped
T12 >> 1462234396.61696792 LCAO eigensolver (3309.66140s) started
T12 >> 1462234396.61698008 Potential matrix (51.24453s) started
T12 << 1462234397.58788490 Potential matrix (52.21544s) stopped
T12 >> 1462234397.58798504 DistributedAtomicCorrection (20.05620s) started
T12 << 1462234397.96207595 DistributedAtomicCorrection (20.43029s) stopped
T12 >> 1462234397.96213102 Distribute overlap matrix (352.84500s) started
T12 >> 1462234397.96215510 blocked summation (201.22981s) started
T12 << 1462234401.68641090 blocked summation (204.95407s) stopped
T12 >> 1462234401.69657707 Scalapack redistribute (151.10382s) started
T12 << 1462234404.69526696 Scalapack redistribute (154.10251s) stopped
T12 << 1462234404.69536901 Distribute overlap matrix (359.57824s) stopped
T12 >> 1462234404.70055199 Blacs Orbital Layouts (2793.63600s) started
T12 >> 1462234404.70950794 General diagonalize (2781.87436s) started
T12 << 1462234458.39775205 General diagonalize (2835.56260s) stopped
T12 >> 1462234458.39782310 Redistribute coefs (0.42329s) started
T12 << 1462234458.40601802 Redistribute coefs (0.43148s) stopped
T12 >> 1462234458.40606093 Send coefs to domains (10.87566s) started
T12 << 1462234458.49366808 Send coefs to domains (10.96327s) stopped
T12 << 1462234458.49414301 Blacs Orbital Layouts (2847.42959s) stopped
T12 >> 1462234458.49419403 Calculate projections (91.62121s) started
T12 << 1462234460.19803691 Calculate projections (93.32505s) stopped
T12 << 1462234460.19848490 LCAO eigensolver (3373.24292s) stopped
T12 >> 1462234463.39152694 Density (830.08787s) started
T12 >> 1462234463.39154196 Pseudo density (645.93988s) started
T12 >> 1462234463.39416409 Calculate density matrix (606.79076s) started
T12 << 1462234475.13740802 Calculate density matrix (618.53400s) stopped
T12 >> 1462234475.13745594 Construct density (38.13009s) started
T12 << 1462234475.88042092 Construct density (38.87305s) stopped
T12 >> 1462234475.89398289 Symmetrize density (0.00411s) started
T12 << 1462234475.89404511 Symmetrize density (0.00417s) stopped
T12 << 1462234475.89613891 Pseudo density (658.44448s) stopped
T12 >> 1462234475.89619493 Atomic density matrices (161.29875s) started
T12 << 1462234479.11118507 Atomic density matrices (164.51374s) stopped
T12 >> 1462234479.11121702 Multipole moments (0.43566s) started
T12 << 1462234479.12032104 Multipole moments (0.44476s) stopped
T12 >> 1462234479.12034512 Normalize (0.35901s) started
T12 << 1462234479.12695789 Normalize (0.36562s) stopped
T12 >> 1462234479.12701797 Mix (22.05079s) started
T12 << 1462234479.53678703 Mix (22.46056s) stopped
T12 << 1462234479.53683901 Density (846.23318s) stopped
T12 >> 1462234479.53686500 Hamiltonian (2384.32120s) started
T12 >> 1462234479.53688002 vbar (1.39603s) started
T12 << 1462234479.56523895 vbar (1.42439s) stopped
T12 >> 1462234479.56537890 XC 3D grid (1441.10730s) started
T12 >> 1462234480.05860305 van der Waals (1391.89739s) started
T12 >> 1462234480.16491389 semilocal (294.67681s) started
T12 << 1462234485.90669703 semilocal (300.41859s) stopped
T12 >> 1462234485.99172306 redistribute (145.02197s) started
T12 << 1462234487.04169893 redistribute (146.07194s) stopped
T12 >> 1462234487.04174304 libvdwxc nonlocal (942.52787s) started
T12 << 1462234505.98289394 libvdwxc nonlocal (961.46902s) stopped
T12 >> 1462234505.98296309 redistribute (146.07197s) started
T12 << 1462234507.69771504 redistribute (147.78673s) stopped
T12 << 1462234507.69893909 van der Waals (1419.53772s) stopped
T12 << 1462234508.14495802 XC 3D grid (1469.68688s) stopped
T12 >> 1462234508.14499998 Poisson (450.51633s) started
T12 << 1462234514.00477099 Poisson (456.37610s) stopped
T12 >> 1462234514.00483799 Hartree integrate/restrict (18.76346s) started
T12 << 1462234514.06018591 Hartree integrate/restrict (18.81880s) stopped
T12 >> 1462234514.06023407 Hartree integrate/restrict (18.81883s) started
T12 << 1462234514.37215090 Hartree integrate/restrict (19.13075s) stopped
T12 >> 1462234514.37249207 Atomic (122.74374s) started
T12 >> 1462234514.37412310 XC Correction (0.00171s) started
T12 << 1462234514.37414503 XC Correction (0.00173s) stopped
T12 << 1462234516.74929595 Atomic (125.12055s) stopped
T12 >> 1462234516.74941993 Communicate (349.76552s) started
T12 << 1462234523.75420189 Communicate (356.77030s) stopped
T12 << 1462234523.75423694 Hamiltonian (2428.53857s) stopped
T12 >> 1462234523.75426102 LCAO eigensolver (3373.24294s) started
T12 >> 1462234523.75427389 Potential matrix (52.21549s) started
T12 << 1462234524.71386909 Potential matrix (53.17509s) stopped
T12 >> 1462234524.71395302 DistributedAtomicCorrection (20.43033s) started
T12 << 1462234525.08214593 DistributedAtomicCorrection (20.79852s) stopped
T12 >> 1462234525.08219790 Distribute overlap matrix (359.57825s) started
T12 >> 1462234525.08222008 blocked summation (204.95413s) started
T12 << 1462234528.77378798 blocked summation (208.64569s) stopped
T12 >> 1462234528.78429508 Scalapack redistribute (154.10256s) started
T12 << 1462234531.86723208 Scalapack redistribute (157.18549s) stopped
T12 << 1462234531.86733508 Distribute overlap matrix (366.36339s) stopped
T12 >> 1462234531.87169695 Blacs Orbital Layouts (2847.42961s) started
T12 >> 1462234531.88046408 General diagonalize (2835.56266s) started
T12 << 1462234584.80799389 General diagonalize (2888.49019s) stopped
T12 >> 1462234584.80804706 Redistribute coefs (0.43151s) started
T12 << 1462234584.81683993 Redistribute coefs (0.44031s) stopped
T12 >> 1462234584.81688809 Send coefs to domains (10.96330s) started
T12 << 1462234584.95809197 Send coefs to domains (11.10450s) stopped
T12 << 1462234584.95856905 Blacs Orbital Layouts (2900.51648s) stopped
T12 >> 1462234584.95862389 Calculate projections (93.32510s) started
T12 << 1462234586.67464709 Calculate projections (95.04112s) stopped
T12 << 1462234586.67505693 LCAO eigensolver (3436.16373s) stopped
T12 >> 1462234589.85758209 Density (846.23319s) started
T12 >> 1462234589.85759807 Pseudo density (658.44453s) started
T12 >> 1462234589.86054301 Calculate density matrix (618.53403s) started
T12 << 1462234601.90504408 Calculate density matrix (630.57853s) stopped
T12 >> 1462234601.90510011 Construct density (38.87311s) started
T12 << 1462234602.64846611 Construct density (39.61647s) stopped
T12 >> 1462234602.66518998 Symmetrize density (0.00419s) started
T12 << 1462234602.66526508 Symmetrize density (0.00426s) stopped
T12 << 1462234602.66773796 Pseudo density (671.25466s) stopped
T12 >> 1462234602.66780496 Atomic density matrices (164.51376s) started
T12 << 1462234605.86635494 Atomic density matrices (167.71231s) stopped
T12 >> 1462234605.86639190 Multipole moments (0.44478s) started
T12 << 1462234605.87552404 Multipole moments (0.45391s) stopped
T12 >> 1462234605.87555003 Normalize (0.36566s) started
T12 << 1462234605.88255596 Normalize (0.37267s) stopped
T12 >> 1462234605.88260007 Mix (22.46061s) started
T12 << 1462234606.34099793 Mix (22.91901s) stopped
T12 << 1462234606.34103394 Density (862.71664s) stopped
T12 >> 1462234606.34105897 Hamiltonian (2428.53858s) started
T12 >> 1462234606.34107494 vbar (1.42447s) started
T12 << 1462234606.37233400 vbar (1.45573s) stopped
T12 >> 1462234606.37249398 XC 3D grid (1469.68691s) started
T12 >> 1462234606.83600998 van der Waals (1419.53778s) started
T12 >> 1462234606.95290899 semilocal (300.41867s) started
T12 << 1462234612.72544003 semilocal (306.19120s) stopped
T12 >> 1462234612.80785990 redistribute (147.78679s) started
T12 << 1462234613.79481411 redistribute (148.77375s) stopped
T12 >> 1462234613.79486704 libvdwxc nonlocal (961.46907s) started
T12 << 1462234631.67291093 libvdwxc nonlocal (979.34711s) stopped
T12 >> 1462234631.67299604 redistribute (148.77379s) started
T12 << 1462234633.72583199 redistribute (150.82663s) stopped
T12 << 1462234633.72715306 van der Waals (1446.42893s) stopped
T12 << 1462234634.18060994 XC 3D grid (1497.49503s) stopped
T12 >> 1462234634.18067694 Poisson (456.37615s) started
T12 << 1462234640.05450511 Poisson (462.24998s) stopped
T12 >> 1462234640.05457902 Hartree integrate/restrict (19.13078s) started
T12 << 1462234640.09230304 Hartree integrate/restrict (19.16850s) stopped
T12 >> 1462234640.09246802 Hartree integrate/restrict (19.16862s) started
T12 << 1462234640.41322899 Hartree integrate/restrict (19.48938s) stopped
T12 >> 1462234640.41356111 Atomic (125.12057s) started
T12 >> 1462234640.41509295 XC Correction (0.00175s) started
T12 << 1462234640.41510797 XC Correction (0.00176s) stopped
T12 << 1462234642.78840590 Atomic (127.49541s) stopped
T12 >> 1462234642.78852296 Communicate (356.77033s) started
T12 << 1462234649.96406293 Communicate (363.94587s) stopped
T12 << 1462234649.96410489 Hamiltonian (2472.16163s) stopped
T12 >> 1462234649.96413207 LCAO eigensolver (3436.16375s) started
T12 >> 1462234649.96414495 Potential matrix (53.17514s) started
T12 << 1462234650.92860293 Potential matrix (54.13960s) stopped
T12 >> 1462234650.92869711 DistributedAtomicCorrection (20.79856s) started
T12 << 1462234651.30695295 DistributedAtomicCorrection (21.17682s) stopped
T12 >> 1462234651.30700803 Distribute overlap matrix (366.36340s) started
T12 >> 1462234651.30703211 blocked summation (208.64573s) started
T12 << 1462234655.01327705 blocked summation (212.35197s) stopped
T12 >> 1462234655.02283907 Scalapack redistribute (157.18555s) started
T12 << 1462234658.05361605 Scalapack redistribute (160.21633s) stopped
T12 << 1462234658.05370903 Distribute overlap matrix (373.11010s) stopped
T12 >> 1462234658.05862498 Blacs Orbital Layouts (2900.51650s) started
T12 >> 1462234658.06758809 General diagonalize (2888.49023s) started
T12 << 1462234708.25008988 General diagonalize (2938.67274s) stopped
T12 >> 1462234708.25013494 Redistribute coefs (0.44034s) started
T12 << 1462234708.25840402 Redistribute coefs (0.44861s) stopped
T12 >> 1462234708.25844789 Send coefs to domains (11.10454s) started
T12 << 1462234708.38244700 Send coefs to domains (11.22854s) stopped
T12 << 1462234708.38292003 Blacs Orbital Layouts (2950.84080s) stopped
T12 >> 1462234708.38297200 Calculate projections (95.04118s) started
T12 << 1462234710.08723998 Calculate projections (96.74545s) stopped
T12 << 1462234710.08769608 LCAO eigensolver (3496.28732s) stopped
T12 >> 1462234713.28718901 Density (862.71666s) started
T12 >> 1462234713.28720403 Pseudo density (671.25472s) started
T12 >> 1462234713.28980994 Calculate density matrix (630.57857s) started
T12 << 1462234725.10975194 Calculate density matrix (642.39851s) stopped
T12 >> 1462234725.10980296 Construct density (39.61653s) started
T12 << 1462234725.85205793 Construct density (40.35878s) stopped
T12 >> 1462234725.86582494 Symmetrize density (0.00428s) started
T12 << 1462234725.86588907 Symmetrize density (0.00434s) stopped
T12 << 1462234725.86797500 Pseudo density (683.83549s) stopped
T12 >> 1462234725.86803102 Atomic density matrices (167.71234s) started
T12 << 1462234729.06374598 Atomic density matrices (170.90806s) stopped
T12 >> 1462234729.06378102 Multipole moments (0.45393s) started
T12 << 1462234729.07296109 Multipole moments (0.46311s) stopped
T12 >> 1462234729.07298493 Normalize (0.37270s) started
T12 << 1462234729.07957006 Normalize (0.37928s) stopped
T12 >> 1462234729.07962608 Mix (22.91904s) started
T12 << 1462234729.52383399 Mix (23.36325s) stopped
T12 << 1462234729.52388000 Density (878.95335s) stopped
T12 >> 1462234729.52390599 Hamiltonian (2472.16164s) started
T12 >> 1462234729.52392101 vbar (1.45582s) started
T12 << 1462234729.55253696 vbar (1.48444s) stopped
T12 >> 1462234729.55268502 XC 3D grid (1497.49508s) started
T12 >> 1462234730.03464007 van der Waals (1446.42896s) started
T12 >> 1462234730.14481592 semilocal (306.19129s) started
T12 << 1462234735.89071012 semilocal (311.93719s) stopped
T12 >> 1462234735.96531701 redistribute (150.82667s) started
T12 << 1462234736.99013710 redistribute (151.85149s) stopped
T12 >> 1462234736.99018502 libvdwxc nonlocal (979.34718s) started
T12 << 1462234755.45596290 libvdwxc nonlocal (997.81296s) stopped
T12 >> 1462234755.45601392 redistribute (151.85152s) started
T12 << 1462234757.10372090 redistribute (153.49923s) stopped
T12 << 1462234757.10526991 van der Waals (1473.49959s) stopped
T12 << 1462234757.56964493 XC 3D grid (1525.51204s) stopped
T12 >> 1462234757.56968808 Poisson (462.25003s) started
T12 << 1462234763.27194500 Poisson (467.95228s) stopped
T12 >> 1462234763.27202106 Hartree integrate/restrict (19.48941s) started
T12 << 1462234763.31613398 Hartree integrate/restrict (19.53352s) stopped
T12 >> 1462234763.31617689 Hartree integrate/restrict (19.53355s) started
T12 << 1462234763.63857293 Hartree integrate/restrict (19.85594s) stopped
T12 >> 1462234763.63895011 Atomic (127.49544s) started
T12 >> 1462234763.64056301 XC Correction (0.00177s) started
T12 << 1462234763.64057899 XC Correction (0.00179s) stopped
T12 << 1462234766.01226711 Atomic (129.86875s) stopped
T12 >> 1462234766.01235604 Communicate (363.94590s) started
T12 << 1462234773.19722390 Communicate (371.13076s) stopped
T12 << 1462234773.19725704 Hamiltonian (2515.83499s) stopped
T12 >> 1462234773.19728088 LCAO eigensolver (3496.28733s) started
T12 >> 1462234773.19729400 Potential matrix (54.13965s) started
T12 << 1462234774.16137290 Potential matrix (55.10373s) stopped
T12 >> 1462234774.16145802 DistributedAtomicCorrection (21.17686s) started
T12 << 1462234774.53471899 DistributedAtomicCorrection (21.55012s) stopped
T12 >> 1462234774.53477097 Distribute overlap matrix (373.11011s) started
T12 >> 1462234774.53479600 blocked summation (212.35201s) started
T12 << 1462234778.25541997 blocked summation (216.07263s) stopped
T12 >> 1462234778.26483607 Scalapack redistribute (160.21637s) started
T12 << 1462234781.22500396 Scalapack redistribute (163.17654s) stopped
T12 << 1462234781.22508693 Distribute overlap matrix (379.80043s) stopped
T12 >> 1462234781.22987509 Blacs Orbital Layouts (2950.84081s) started
T12 >> 1462234781.23869205 General diagonalize (2938.67277s) started
T12 << 1462234833.30562592 General diagonalize (2990.73971s) stopped
T12 >> 1462234833.30569792 Redistribute coefs (0.44865s) started
T12 << 1462234833.31365609 Redistribute coefs (0.45661s) stopped
T12 >> 1462234833.31373405 Send coefs to domains (11.22857s) started
T12 << 1462234833.58185101 Send coefs to domains (11.49669s) stopped
T12 << 1462234833.58232093 Blacs Orbital Layouts (3003.19326s) stopped
T12 >> 1462234833.58238411 Calculate projections (96.74550s) started
T12 << 1462234835.28758407 Calculate projections (98.45070s) stopped
T12 << 1462234835.28792810 LCAO eigensolver (3558.37798s) stopped
T12 >> 1462234838.49994111 Density (878.95336s) started
T12 >> 1462234838.49995589 Pseudo density (683.83553s) started
T12 >> 1462234838.50292301 Calculate density matrix (642.39855s) started
T12 << 1462234850.21019101 Calculate density matrix (654.10582s) stopped
T12 >> 1462234850.21023893 Construct density (40.35883s) started
T12 << 1462234850.95408893 Construct density (41.10268s) stopped
T12 >> 1462234850.96827602 Symmetrize density (0.00436s) started
T12 << 1462234850.96833992 Symmetrize density (0.00442s) stopped
T12 << 1462234850.97043610 Pseudo density (696.30602s) stopped
T12 >> 1462234850.97049189 Atomic density matrices (170.90808s) started
T12 << 1462234854.15361094 Atomic density matrices (174.09120s) stopped
T12 >> 1462234854.15364408 Multipole moments (0.46313s) started
T12 << 1462234854.16267896 Multipole moments (0.47216s) stopped
T12 >> 1462234854.16270208 Normalize (0.37932s) started
T12 << 1462234854.16966510 Normalize (0.38629s) stopped
T12 >> 1462234854.16971207 Mix (23.36329s) started
T12 << 1462234854.60037398 Mix (23.79396s) stopped
T12 << 1462234854.60041595 Density (895.05383s) stopped
T12 >> 1462234854.60044098 Hamiltonian (2515.83500s) started
T12 >> 1462234854.60045600 vbar (1.48452s) started
T12 << 1462234854.63019300 vbar (1.51426s) stopped
T12 >> 1462234854.63037491 XC 3D grid (1525.51207s) started
T12 >> 1462234855.11224794 van der Waals (1473.49963s) started
T12 >> 1462234855.21946311 semilocal (311.93728s) started
T12 << 1462234860.95143700 semilocal (317.66926s) stopped
T12 >> 1462234861.02478504 redistribute (153.49927s) started
T12 << 1462234862.05097008 redistribute (154.52545s) stopped
T12 >> 1462234862.05101705 libvdwxc nonlocal (997.81300s) started
T12 << 1462234880.62228298 libvdwxc nonlocal (1016.38426s) stopped
T12 >> 1462234880.62234807 redistribute (154.52549s) started
T12 << 1462234882.35560107 redistribute (156.25874s) stopped
T12 << 1462234882.35702205 van der Waals (1500.74440s) stopped
T12 << 1462234882.82145810 XC 3D grid (1553.70316s) stopped
T12 >> 1462234882.82150102 Poisson (467.95234s) started
T12 << 1462234888.61824203 Poisson (473.74908s) stopped
T12 >> 1462234888.61830401 Hartree integrate/restrict (19.85599s) started
T12 << 1462234888.66840005 Hartree integrate/restrict (19.90609s) stopped
T12 >> 1462234888.66844511 Hartree integrate/restrict (19.90612s) started
T12 << 1462234888.99947405 Hartree integrate/restrict (20.23715s) stopped
T12 >> 1462234888.99986410 Atomic (129.86877s) started
T12 >> 1462234889.00152993 XC Correction (0.00180s) started
T12 << 1462234889.00155902 XC Correction (0.00183s) stopped
T12 << 1462234891.37734795 Atomic (132.24626s) stopped
T12 >> 1462234891.37742901 Communicate (371.13078s) started
T12 << 1462234898.52160501 Communicate (378.27496s) stopped
T12 << 1462234898.52163100 Hamiltonian (2559.75619s) stopped
T12 >> 1462234898.52165198 LCAO eigensolver (3558.37800s) started
T12 >> 1462234898.52166390 Potential matrix (55.10378s) started
T12 << 1462234899.48785901 Potential matrix (56.06997s) stopped
T12 >> 1462234899.48794699 DistributedAtomicCorrection (21.55016s) started
T12 << 1462234899.86105108 DistributedAtomicCorrection (21.92326s) stopped
T12 >> 1462234899.86110306 Distribute overlap matrix (379.80044s) started
T12 >> 1462234899.86112499 blocked summation (216.07266s) started
T12 << 1462234903.49055600 blocked summation (219.70209s) stopped
T12 >> 1462234903.50069904 Scalapack redistribute (163.17657s) started
T12 << 1462234906.59283996 Scalapack redistribute (166.26871s) stopped
T12 << 1462234906.59294391 Distribute overlap matrix (386.53228s) stopped
T12 >> 1462234906.59768295 Blacs Orbital Layouts (3003.19329s) started
T12 >> 1462234906.60642004 General diagonalize (2990.73977s) started
T12 << 1462234959.29671407 General diagonalize (3043.43006s) stopped
T12 >> 1462234959.29678392 Redistribute coefs (0.45667s) started
T12 << 1462234959.30508804 Redistribute coefs (0.46497s) stopped
T12 >> 1462234959.30512905 Send coefs to domains (11.49672s) started
T12 << 1462234959.48010302 Send coefs to domains (11.67169s) stopped
T12 << 1462234959.48056889 Blacs Orbital Layouts (3056.07618s) stopped
T12 >> 1462234959.48061705 Calculate projections (98.45075s) started
T12 << 1462234961.18555999 Calculate projections (100.15569s) stopped
T12 << 1462234961.18592906 LCAO eigensolver (3621.04228s) stopped
T12 >> 1462234964.38817191 Density (895.05385s) started
T12 >> 1462234964.38818693 Pseudo density (696.30606s) started
T12 >> 1462234964.39044499 Calculate density matrix (654.10585s) started
T12 << 1462234976.41943502 Calculate density matrix (666.13484s) stopped
T12 >> 1462234976.41948605 Construct density (41.10274s) started
T12 << 1462234977.16547799 Construct density (41.84873s) stopped
T12 >> 1462234977.17930603 Symmetrize density (0.00444s) started
T12 << 1462234977.17936993 Symmetrize density (0.00450s) stopped
T12 << 1462234977.18146610 Pseudo density (709.09934s) stopped
T12 >> 1462234977.18152404 Atomic density matrices (174.09123s) started
T12 << 1462234980.37720799 Atomic density matrices (177.28691s) stopped
T12 >> 1462234980.37723994 Multipole moments (0.47218s) started
T12 << 1462234980.38627195 Multipole moments (0.48121s) stopped
T12 >> 1462234980.38629603 Normalize (0.38632s) started
T12 << 1462234980.39303589 Normalize (0.39306s) stopped
T12 >> 1462234980.39308310 Mix (23.79400s) started
T12 << 1462234980.80541110 Mix (24.20633s) stopped
T12 << 1462234980.80546188 Density (911.47114s) stopped
T12 >> 1462234980.80548811 Hamiltonian (2559.75621s) started
T12 >> 1462234980.80550289 vbar (1.51437s) started
T12 << 1462234980.82947397 vbar (1.53834s) stopped
T12 >> 1462234980.82958889 XC 3D grid (1553.70319s) started
T12 >> 1462234981.33299804 van der Waals (1500.74444s) started
T12 >> 1462234981.44051194 semilocal (317.66933s) started
T12 << 1462234987.27131295 semilocal (323.50013s) stopped
T12 >> 1462234987.34329200 redistribute (156.25878s) started
T12 << 1462234988.33678198 redistribute (157.25227s) stopped
T12 >> 1462234988.33682799 libvdwxc nonlocal (1016.38431s) started
T12 << 1462235007.25091100 libvdwxc nonlocal (1035.29839s) stopped
T12 >> 1462235007.25096989 redistribute (157.25230s) started
T12 << 1462235008.93722701 redistribute (158.93856s) stopped
T12 << 1462235008.93857598 van der Waals (1528.35002s) stopped
T12 << 1462235009.39647198 XC 3D grid (1582.27007s) stopped
T12 >> 1462235009.39651704 Poisson (473.74913s) started
T12 << 1462235013.81631708 Poisson (478.16893s) stopped
T12 >> 1462235013.81638408 Hartree integrate/restrict (20.23720s) started
T12 << 1462235013.87149405 Hartree integrate/restrict (20.29231s) stopped
T12 >> 1462235013.87153196 Hartree integrate/restrict (20.29233s) started
T12 << 1462235014.21341395 Hartree integrate/restrict (20.63422s) stopped
T12 >> 1462235014.21380210 Atomic (132.24628s) started
T12 >> 1462235014.21549296 XC Correction (0.00184s) started
T12 << 1462235014.21551108 XC Correction (0.00186s) stopped
T12 << 1462235016.59293199 Atomic (134.62541s) stopped
T12 >> 1462235016.59301090 Communicate (378.27498s) started
T12 << 1462235023.76677895 Communicate (385.44875s) stopped
T12 << 1462235023.76681495 Hamiltonian (2602.71753s) stopped
T12 >> 1462235023.76683903 LCAO eigensolver (3621.04230s) started
T12 >> 1462235023.76685309 Potential matrix (56.07003s) started
T12 << 1462235024.72499609 Potential matrix (57.02817s) stopped
T12 >> 1462235024.72506690 DistributedAtomicCorrection (21.92330s) started
T12 << 1462235025.10233092 DistributedAtomicCorrection (22.30056s) stopped
T12 >> 1462235025.10238290 Distribute overlap matrix (386.53230s) started
T12 >> 1462235025.10240507 blocked summation (219.70212s) started
T12 << 1462235028.78826904 blocked summation (223.38799s) stopped
T12 >> 1462235028.79780412 Scalapack redistribute (166.26877s) started
T12 << 1462235031.84885812 Scalapack redistribute (169.31983s) stopped
T12 << 1462235031.84896111 Distribute overlap matrix (393.27887s) stopped
T12 >> 1462235031.85306907 Blacs Orbital Layouts (3056.07620s) started
T12 >> 1462235031.86155295 General diagonalize (3043.43012s) started
T12 << 1462235084.66839194 General diagonalize (3096.23696s) stopped
T12 >> 1462235084.66846395 Redistribute coefs (0.46501s) started
T12 << 1462235084.67714095 Redistribute coefs (0.47368s) stopped
T12 >> 1462235084.67721009 Send coefs to domains (11.67172s) started
T12 << 1462235084.92013407 Send coefs to domains (11.91465s) stopped
T12 << 1462235084.92065001 Blacs Orbital Layouts (3109.14378s) stopped
T12 >> 1462235084.92071295 Calculate projections (100.15575s) started
T12 << 1462235086.63584399 Calculate projections (101.87088s) stopped
T12 << 1462235086.63627696 LCAO eigensolver (3683.91173s) stopped
T12 >> 1462235089.82459688 Density (911.47115s) started
T12 >> 1462235089.82461095 Pseudo density (709.09939s) started
T12 >> 1462235089.82737494 Calculate density matrix (666.13488s) started
T12 << 1462235101.61116409 Calculate density matrix (677.91867s) stopped
T12 >> 1462235101.61122298 Construct density (41.84878s) started
T12 << 1462235102.35610890 Construct density (42.59366s) stopped
T12 >> 1462235102.37232804 Symmetrize density (0.00452s) started
T12 << 1462235102.37240291 Symmetrize density (0.00460s) stopped
T12 << 1462235102.37488294 Pseudo density (721.64966s) stopped
T12 >> 1462235102.37495208 Atomic density matrices (177.28693s) started
T12 << 1462235105.55189991 Atomic density matrices (180.46388s) stopped
T12 >> 1462235105.55193710 Multipole moments (0.48122s) started
T12 << 1462235105.56110692 Multipole moments (0.49039s) stopped
T12 >> 1462235105.56113291 Normalize (0.39310s) started
T12 << 1462235105.56814909 Normalize (0.40011s) stopped
T12 >> 1462235105.56819296 Mix (24.20637s) started
T12 << 1462235106.02137303 Mix (24.65955s) stopped
T12 << 1462235106.02142000 Density (927.66797s) stopped
T12 >> 1462235106.02144790 Hamiltonian (2602.71755s) started
T12 >> 1462235106.02146411 vbar (1.53841s) started
T12 << 1462235106.04297090 vbar (1.55991s) stopped
T12 >> 1462235106.04304409 XC 3D grid (1582.27011s) started
T12 >> 1462235106.55005288 van der Waals (1528.35005s) started
T12 >> 1462235106.66307902 semilocal (323.50022s) started
T12 << 1462235112.46365404 semilocal (329.30079s) stopped
T12 >> 1462235112.53999901 redistribute (158.93859s) started
T12 << 1462235113.52312112 redistribute (159.92171s) stopped
T12 >> 1462235113.52317405 libvdwxc nonlocal (1035.29843s) started
T12 << 1462235131.73094392 libvdwxc nonlocal (1053.50620s) stopped
T12 >> 1462235131.73102498 redistribute (159.92175s) started
T12 << 1462235133.71628499 redistribute (161.90701s) stopped
T12 << 1462235133.71727109 van der Waals (1555.51727s) stopped
T12 << 1462235134.17297697 XC 3D grid (1610.40004s) stopped
T12 >> 1462235134.17302608 Poisson (478.16897s) started
T12 << 1462235138.58824706 Poisson (482.58419s) stopped
T12 >> 1462235138.58837199 Hartree integrate/restrict (20.63427s) started
T12 << 1462235138.62547803 Hartree integrate/restrict (20.67138s) stopped
T12 >> 1462235138.62563205 Hartree integrate/restrict (20.67147s) started
T12 << 1462235138.95075297 Hartree integrate/restrict (20.99660s) stopped
T12 >> 1462235138.95113897 Atomic (134.62543s) started
T12 >> 1462235138.95270705 XC Correction (0.00187s) started
T12 << 1462235138.95272207 XC Correction (0.00189s) stopped
T12 << 1462235141.32624793 Atomic (137.00054s) stopped
T12 >> 1462235141.32633305 Communicate (385.44877s) started
T12 << 1462235148.50591493 Communicate (392.62835s) stopped
T12 << 1462235148.50595403 Hamiltonian (2645.20205s) stopped
T12 >> 1462235148.50597811 LCAO eigensolver (3683.91175s) started
T12 >> 1462235148.50599098 Potential matrix (57.02821s) started
T12 << 1462235149.47922397 Potential matrix (58.00144s) stopped
T12 >> 1462235149.47930503 DistributedAtomicCorrection (22.30060s) started
T12 << 1462235149.85797811 DistributedAtomicCorrection (22.67927s) stopped
T12 >> 1462235149.85803294 Distribute overlap matrix (393.27891s) started
T12 >> 1462235149.85805702 blocked summation (223.38802s) started
T12 << 1462235153.56033111 blocked summation (227.09029s) stopped
T12 >> 1462235153.57052112 Scalapack redistribute (169.31989s) started
T12 << 1462235156.54959512 Scalapack redistribute (172.29896s) stopped
T12 << 1462235156.54970002 Distribute overlap matrix (399.97057s) stopped
T12 >> 1462235156.55422497 Blacs Orbital Layouts (3109.14380s) started
T12 >> 1462235156.56310892 General diagonalize (3096.23702s) started
T12 << 1462235208.94400597 General diagonalize (3148.61791s) stopped
T12 >> 1462235208.94408989 Redistribute coefs (0.47374s) started
T12 << 1462235208.95239210 Redistribute coefs (0.48204s) stopped
T12 >> 1462235208.95244002 Send coefs to domains (11.91468s) started
T12 << 1462235209.34356308 Send coefs to domains (12.30580s) stopped
T12 << 1462235209.34391689 Blacs Orbital Layouts (3161.93349s) stopped
T12 >> 1462235209.34397507 Calculate projections (101.87094s) started
T12 << 1462235211.05800200 Calculate projections (103.58496s) stopped
T12 << 1462235211.05835509 LCAO eigensolver (3746.46413s) stopped
T12 >> 1462235214.24000001 Density (927.66799s) started
T12 >> 1462235214.24001503 Pseudo density (721.64971s) started
T12 >> 1462235214.24262094 Calculate density matrix (677.91870s) started
T12 << 1462235226.03191805 Calculate density matrix (689.70800s) stopped
T12 >> 1462235226.03197908 Construct density (42.59372s) started
T12 << 1462235226.77475190 Construct density (43.33649s) stopped
T12 >> 1462235226.79139304 Symmetrize density (0.00462s) started
T12 << 1462235226.79145908 Symmetrize density (0.00468s) stopped
T12 << 1462235226.79393101 Pseudo density (734.20363s) stopped
T12 >> 1462235226.79399896 Atomic density matrices (180.46391s) started
T12 << 1462235229.96570802 Atomic density matrices (183.63562s) stopped
T12 >> 1462235229.96574402 Multipole moments (0.49041s) started
T12 << 1462235229.97486305 Multipole moments (0.49953s) stopped
T12 >> 1462235229.97488689 Normalize (0.40014s) started
T12 << 1462235229.98169494 Normalize (0.40695s) stopped
T12 >> 1462235229.98174095 Mix (24.65960s) started
T12 << 1462235230.45812702 Mix (25.13599s) stopped
T12 << 1462235230.45817304 Density (943.88616s) stopped
T12 >> 1462235230.45819712 Hamiltonian (2645.20206s) started
T12 >> 1462235230.45821190 vbar (1.55995s) started
T12 << 1462235230.48235011 vbar (1.58409s) stopped
T12 >> 1462235230.48249197 XC 3D grid (1610.40008s) started
T12 >> 1462235230.96128893 van der Waals (1555.51730s) started
T12 >> 1462235231.07708406 semilocal (329.30088s) started
T12 << 1462235236.86498594 semilocal (335.08879s) stopped
T12 >> 1462235236.93962002 redistribute (161.90707s) started
T12 << 1462235237.93586397 redistribute (162.90331s) stopped
T12 >> 1462235237.93591690 libvdwxc nonlocal (1053.50626s) started
T12 << 1462235256.41776109 libvdwxc nonlocal (1071.98811s) stopped
T12 >> 1462235256.41787410 redistribute (162.90335s) started
T12 << 1462235258.51579809 redistribute (165.00128s) stopped
T12 << 1462235258.51697397 van der Waals (1583.07298s) stopped
T12 << 1462235258.96774101 XC 3D grid (1638.88533s) stopped
T12 >> 1462235258.96779108 Poisson (482.58429s) started
T12 << 1462235263.40867901 Poisson (487.02518s) stopped
T12 >> 1462235263.40885305 Hartree integrate/restrict (20.99665s) started
T12 << 1462235263.44588709 Hartree integrate/restrict (21.03368s) stopped
T12 >> 1462235263.44608498 Hartree integrate/restrict (21.03381s) started
T12 << 1462235263.78351593 Hartree integrate/restrict (21.37124s) stopped
T12 >> 1462235263.78391790 Atomic (137.00057s) started
T12 >> 1462235263.78550506 XC Correction (0.00190s) started
T12 << 1462235263.78552103 XC Correction (0.00191s) stopped
T12 << 1462235266.16352201 Atomic (139.38017s) stopped
T12 >> 1462235266.16360807 Communicate (392.62838s) started
T12 << 1462235273.32465506 Communicate (399.78943s) stopped
T12 << 1462235273.32468200 Hamiltonian (2688.06855s) stopped
T12 >> 1462235273.32470393 LCAO eigensolver (3746.46415s) started
T12 >> 1462235273.32471609 Potential matrix (58.00149s) started
T12 << 1462235274.29123306 Potential matrix (58.96801s) stopped
T12 >> 1462235274.29136610 DistributedAtomicCorrection (22.67931s) started
T12 << 1462235274.66522503 DistributedAtomicCorrection (23.05317s) stopped
T12 >> 1462235274.66528010 Distribute overlap matrix (399.97059s) started
T12 >> 1462235274.66530299 blocked summation (227.09035s) started
T12 << 1462235278.34864807 blocked summation (230.77370s) stopped
T12 >> 1462235278.35972595 Scalapack redistribute (172.29901s) started
T12 << 1462235281.45166302 Scalapack redistribute (175.39095s) stopped
T12 << 1462235281.45178604 Distribute overlap matrix (406.75709s) stopped
T12 >> 1462235281.45614505 Blacs Orbital Layouts (3161.93351s) started
T12 >> 1462235281.46533108 General diagonalize (3148.61798s) started
T12 << 1462235334.40577412 General diagonalize (3201.55842s) stopped
T12 >> 1462235334.40582204 Redistribute coefs (0.48208s) started
T12 << 1462235334.41424489 Redistribute coefs (0.49050s) stopped
T12 >> 1462235334.41428590 Send coefs to domains (12.30584s) started
T12 << 1462235334.50750089 Send coefs to domains (12.39906s) stopped
T12 << 1462235334.50800204 Blacs Orbital Layouts (3214.98537s) stopped
T12 >> 1462235334.50805092 Calculate projections (103.58502s) started
T12 << 1462235336.21908903 Calculate projections (105.29606s) stopped
T12 << 1462235336.21951795 LCAO eigensolver (3809.35896s) stopped
T12 >> 1462235339.40998292 Density (943.88617s) started
T12 >> 1462235339.40999794 Pseudo density (734.20368s) started
T12 >> 1462235339.41274405 Calculate density matrix (689.70804s) started
T12 << 1462235351.17394209 Calculate density matrix (701.46924s) stopped
T12 >> 1462235351.17399001 Construct density (43.33655s) started
T12 << 1462235351.91858912 Construct density (44.08115s) stopped
T12 >> 1462235351.93255997 Symmetrize density (0.00470s) started
T12 << 1462235351.93261790 Symmetrize density (0.00476s) stopped
T12 << 1462235351.93471098 Pseudo density (746.72840s) stopped
T12 >> 1462235351.93476605 Atomic density matrices (183.63565s) started
T12 << 1462235355.06808090 Atomic density matrices (186.76896s) stopped
T12 >> 1462235355.06811309 Multipole moments (0.49955s) started
T12 << 1462235355.07732296 Multipole moments (0.50876s) stopped
T12 >> 1462235355.07734609 Normalize (0.40698s) started
T12 << 1462235355.08404803 Normalize (0.41369s) stopped
T12 >> 1462235355.08408999 Mix (25.13603s) started
T12 << 1462235355.61036801 Mix (25.66231s) stopped
T12 << 1462235355.61040306 Density (960.08659s) stopped
T12 >> 1462235355.61042905 Hamiltonian (2688.06856s) started
T12 >> 1462235355.61044502 vbar (1.58418s) started
T12 << 1462235355.63772011 vbar (1.61145s) stopped
T12 >> 1462235355.63778090 XC 3D grid (1638.88536s) started
T12 >> 1462235356.06438589 van der Waals (1583.07301s) started
T12 >> 1462235356.18021798 semilocal (335.08888s) started
T12 << 1462235361.91536808 semilocal (340.82403s) stopped
T12 >> 1462235361.99120092 redistribute (165.00132s) started
T12 << 1462235363.02238297 redistribute (166.03250s) stopped
T12 >> 1462235363.02243495 libvdwxc nonlocal (1071.98817s) started
T12 << 1462235381.22017193 libvdwxc nonlocal (1090.18590s) stopped
T12 >> 1462235381.22026110 redistribute (166.03254s) started
T12 << 1462235383.27923012 redistribute (168.09151s) stopped
T12 << 1462235383.28042889 van der Waals (1610.28906s) stopped
T12 << 1462235383.72814608 XC 3D grid (1666.97573s) stopped
T12 >> 1462235383.72818995 Poisson (487.02531s) started
T12 << 1462235388.07119012 Poisson (491.36831s) stopped
T12 >> 1462235388.07126808 Hartree integrate/restrict (21.37130s) started
T12 << 1462235388.10875010 Hartree integrate/restrict (21.40878s) stopped
T12 >> 1462235388.10885692 Hartree integrate/restrict (21.40886s) started
T12 << 1462235388.45479703 Hartree integrate/restrict (21.75480s) stopped
T12 >> 1462235388.45517802 Atomic (139.38020s) started
T12 >> 1462235388.45674801 XC Correction (0.00192s) started
T12 << 1462235388.45676589 XC Correction (0.00194s) stopped
T12 << 1462235390.81076908 Atomic (141.73579s) stopped
T12 >> 1462235390.81085491 Communicate (399.78944s) started
T12 << 1462235397.93061399 Communicate (406.90920s) stopped
T12 << 1462235397.93065000 Hamiltonian (2730.38878s) stopped
T12 >> 1462235397.93067503 LCAO eigensolver (3809.35898s) started
T12 >> 1462235397.93068790 Potential matrix (58.96810s) started
T12 << 1462235398.88748789 Potential matrix (59.92490s) stopped
T12 >> 1462235398.88756108 DistributedAtomicCorrection (23.05321s) started
T12 << 1462235399.26198006 DistributedAtomicCorrection (23.42763s) stopped
T12 >> 1462235399.26202798 Distribute overlap matrix (406.75711s) started
T12 >> 1462235399.26204896 blocked summation (230.77373s) started
T12 << 1462235402.96385694 blocked summation (234.47554s) stopped
T12 >> 1462235402.97403002 Scalapack redistribute (175.39102s) started
T12 << 1462235406.05812097 Scalapack redistribute (178.47511s) stopped
T12 << 1462235406.05823398 Distribute overlap matrix (413.55331s) stopped
T12 >> 1462235406.06254411 Blacs Orbital Layouts (3214.98539s) started
T12 >> 1462235406.07127500 General diagonalize (3201.55846s) started
T12 << 1462235458.13460898 General diagonalize (3253.62180s) stopped
T12 >> 1462235458.13468003 Redistribute coefs (0.49053s) started
T12 << 1462235458.14369392 Redistribute coefs (0.49954s) stopped
T12 >> 1462235458.14376497 Send coefs to domains (12.39909s) started
T12 << 1462235458.26929212 Send coefs to domains (12.52462s) stopped
T12 << 1462235458.26975894 Blacs Orbital Layouts (3267.19260s) stopped
T12 >> 1462235458.26982307 Calculate projections (105.29612s) started
T12 << 1462235459.98459005 Calculate projections (107.01088s) stopped
T12 << 1462235459.98501396 LCAO eigensolver (3871.41332s) stopped
T12 >> 1462235463.17843294 Density (960.08660s) started
T12 >> 1462235463.17844892 Pseudo density (746.72844s) started
T12 >> 1462235463.18156290 Calculate density matrix (701.46927s) started
T12 << 1462235475.01755190 Calculate density matrix (713.30526s) stopped
T12 >> 1462235475.01761007 Construct density (44.08120s) started
T12 << 1462235475.76153708 Construct density (44.82513s) stopped
T12 >> 1462235475.77783799 Symmetrize density (0.00478s) started
T12 << 1462235475.77790403 Symmetrize density (0.00484s) stopped
T12 << 1462235475.78037190 Pseudo density (759.33036s) stopped
T12 >> 1462235475.78044105 Atomic density matrices (186.76899s) started
T12 << 1462235478.96429706 Atomic density matrices (189.95284s) stopped
T12 >> 1462235478.96433401 Multipole moments (0.50877s) started
T12 << 1462235478.97337890 Multipole moments (0.51782s) stopped
T12 >> 1462235478.97340393 Normalize (0.41372s) started
T12 << 1462235478.98225093 Normalize (0.42256s) stopped
T12 >> 1462235478.98230100 Mix (25.66234s) started
T12 << 1462235479.42428207 Mix (26.10432s) stopped
T12 << 1462235479.42431593 Density (976.33249s) stopped
T12 >> 1462235479.42434001 Hamiltonian (2730.38879s) started
T12 >> 1462235479.42435503 vbar (1.61148s) started
T12 << 1462235479.45904303 vbar (1.64617s) stopped
T12 >> 1462235479.45915294 XC 3D grid (1666.97576s) started
T12 >> 1462235479.93997502 van der Waals (1610.28911s) started
T12 >> 1462235480.05294490 semilocal (340.82414s) started
T12 << 1462235485.81838489 semilocal (346.58958s) stopped
T12 >> 1462235485.89346504 redistribute (168.09155s) started
T12 << 1462235486.91464496 redistribute (169.11273s) stopped
T12 >> 1462235486.91469789 libvdwxc nonlocal (1090.18597s) started
T12 << 1462235505.17767310 libvdwxc nonlocal (1108.44894s) stopped
T12 >> 1462235505.17776394 redistribute (169.11277s) started
T12 << 1462235507.28295803 redistribute (171.21796s) stopped
T12 << 1462235507.28402996 van der Waals (1637.63317s) stopped
T12 << 1462235507.74227500 XC 3D grid (1695.25889s) stopped
T12 >> 1462235507.74232197 Poisson (491.36837s) started
T12 << 1462235512.12208390 Poisson (495.74813s) stopped
T12 >> 1462235512.12221909 Hartree integrate/restrict (21.75486s) started
T12 << 1462235512.16015601 Hartree integrate/restrict (21.79279s) stopped
T12 >> 1462235512.16024590 Hartree integrate/restrict (21.79285s) started
T12 << 1462235512.48370790 Hartree integrate/restrict (22.11631s) stopped
T12 >> 1462235512.48408294 Atomic (141.73581s) started
T12 >> 1462235512.48573995 XC Correction (0.00196s) started
T12 << 1462235512.48576498 XC Correction (0.00198s) stopped
T12 << 1462235514.86014605 Atomic (144.11188s) stopped
T12 >> 1462235514.86023307 Communicate (406.90923s) started
T12 << 1462235521.98426604 Communicate (414.03326s) stopped
T12 << 1462235521.98430109 Hamiltonian (2772.94875s) stopped
T12 >> 1462235521.98432493 LCAO eigensolver (3871.41334s) started
T12 >> 1462235521.98433805 Potential matrix (59.92494s) started
T12 << 1462235522.94622302 Potential matrix (60.88682s) stopped
T12 >> 1462235522.94630504 DistributedAtomicCorrection (23.42767s) started
T12 << 1462235523.32573891 DistributedAtomicCorrection (23.80710s) stopped
T12 >> 1462235523.32579303 Distribute overlap matrix (413.55333s) started
T12 >> 1462235523.32582211 blocked summation (234.47557s) started
T12 << 1462235527.00886512 blocked summation (238.15862s) stopped
T12 >> 1462235527.01889992 Scalapack redistribute (178.47516s) started
T12 << 1462235530.21487093 Scalapack redistribute (181.67113s) stopped
T12 << 1462235530.21498609 Distribute overlap matrix (420.44252s) stopped
T12 >> 1462235530.21959901 Blacs Orbital Layouts (3267.19262s) started
T12 >> 1462235530.22830391 General diagonalize (3253.62186s) started
T12 << 1462235582.79662800 General diagonalize (3306.19018s) stopped
T12 >> 1462235582.79670095 Redistribute coefs (0.49958s) started
T12 << 1462235582.80474401 Redistribute coefs (0.50763s) stopped
T12 >> 1462235582.80478907 Send coefs to domains (12.52465s) started
T12 << 1462235582.95986390 Send coefs to domains (12.67973s) stopped
T12 << 1462235582.96038508 Blacs Orbital Layouts (3319.93341s) stopped
T12 >> 1462235582.96043491 Calculate projections (107.01094s) started
T12 << 1462235584.66612911 Calculate projections (108.71664s) stopped
T12 << 1462235584.66655588 LCAO eigensolver (3934.09557s) stopped
T12 >> 1462235587.86871004 Density (976.33250s) started
T12 >> 1462235587.86872411 Pseudo density (759.33042s) started
T12 >> 1462235587.87107897 Calculate density matrix (713.30530s) started
T12 << 1462235600.24195790 Calculate density matrix (725.67617s) stopped
T12 >> 1462235600.24201012 Construct density (44.82518s) started
T12 << 1462235600.98693490 Construct density (45.57011s) stopped
T12 >> 1462235601.00097299 Symmetrize density (0.00486s) started
T12 << 1462235601.00103593 Symmetrize density (0.00492s) stopped
T12 << 1462235601.00312400 Pseudo density (772.46482s) stopped
T12 >> 1462235601.00318098 Atomic density matrices (189.95287s) started
T12 << 1462235604.14780307 Atomic density matrices (193.09749s) stopped
T12 >> 1462235604.14783502 Multipole moments (0.51784s) started
T12 << 1462235604.15644598 Multipole moments (0.52645s) stopped
T12 >> 1462235604.15647006 Normalize (0.42260s) started
T12 << 1462235604.16383410 Normalize (0.42996s) stopped
T12 >> 1462235604.16389894 Mix (26.10436s) started
T12 << 1462235604.59393907 Mix (26.53440s) stopped
T12 << 1462235604.59398389 Density (993.05777s) stopped
T12 >> 1462235604.59400797 Hamiltonian (2772.94877s) started
T12 >> 1462235604.59402394 vbar (1.64623s) started
T12 << 1462235604.62452197 vbar (1.67673s) stopped
T12 >> 1462235604.62469506 XC 3D grid (1695.25892s) started
T12 >> 1462235605.11847997 van der Waals (1637.63320s) started
T12 >> 1462235605.22632194 semilocal (346.58968s) started
T12 << 1462235610.95732903 semilocal (352.32069s) stopped
T12 >> 1462235611.03325391 redistribute (171.21800s) started
T12 << 1462235612.09625101 redistribute (172.28100s) stopped
T12 >> 1462235612.09629607 libvdwxc nonlocal (1108.44900s) started
T12 << 1462235631.17033792 libvdwxc nonlocal (1127.52304s) stopped
T12 >> 1462235631.17039990 redistribute (172.28103s) started
T12 << 1462235632.81996489 redistribute (173.93059s) stopped
T12 << 1462235632.82114792 van der Waals (1665.33587s) stopped
T12 << 1462235633.27620792 XC 3D grid (1723.91044s) stopped
T12 >> 1462235633.27625895 Poisson (495.74823s) started
T12 << 1462235637.72968006 Poisson (500.20165s) stopped
T12 >> 1462235637.72976494 Hartree integrate/restrict (22.11636s) started
T12 << 1462235637.78721499 Hartree integrate/restrict (22.17381s) stopped
T12 >> 1462235637.78726292 Hartree integrate/restrict (22.17384s) started
T12 << 1462235638.09589410 Hartree integrate/restrict (22.48247s) stopped
T12 >> 1462235638.09623098 Atomic (144.11190s) started
T12 >> 1462235638.09779096 XC Correction (0.00200s) started
T12 << 1462235638.09780598 XC Correction (0.00201s) stopped
T12 << 1462235640.47493696 Atomic (146.49061s) stopped
T12 >> 1462235640.47501898 Communicate (414.03328s) started
T12 << 1462235647.60456395 Communicate (421.16283s) stopped
T12 << 1462235647.60459900 Hamiltonian (2815.95936s) stopped
T12 >> 1462235647.60462308 LCAO eigensolver (3934.09559s) started
T12 >> 1462235647.60463500 Potential matrix (60.88687s) started
T12 << 1462235648.57262301 Potential matrix (61.85486s) stopped
T12 >> 1462235648.57270789 DistributedAtomicCorrection (23.80714s) started
T12 << 1462235648.94461012 DistributedAtomicCorrection (24.17905s) stopped
T12 >> 1462235648.94466305 Distribute overlap matrix (420.44253s) started
T12 >> 1462235648.94468403 blocked summation (238.15865s) started
T12 << 1462235652.72309709 blocked summation (241.93707s) stopped
T12 >> 1462235652.73273897 Scalapack redistribute (181.67120s) started
T12 << 1462235655.74850798 Scalapack redistribute (184.68696s) stopped
T12 << 1462235655.74861693 Distribute overlap matrix (427.24649s) stopped
T12 >> 1462235655.75277209 Blacs Orbital Layouts (3319.93343s) started
T12 >> 1462235655.76135993 General diagonalize (3306.19024s) started
T12 << 1462235709.25665498 General diagonalize (3359.68553s) stopped
T12 >> 1462235709.25673199 Redistribute coefs (0.50766s) started
T12 << 1462235709.26479793 Redistribute coefs (0.51573s) stopped
T12 >> 1462235709.26487994 Send coefs to domains (12.67976s) started
T12 << 1462235709.54930496 Send coefs to domains (12.96419s) stopped
T12 << 1462235709.54985595 Blacs Orbital Layouts (3373.73051s) stopped
T12 >> 1462235709.54990411 Calculate projections (108.71669s) started
T12 << 1462235711.25252604 Calculate projections (110.41931s) stopped
T12 << 1462235711.25286698 LCAO eigensolver (3997.74383s) stopped
T12 >> 1462235714.45664811 Density (993.05778s) started
T12 >> 1462235714.45666409 Pseudo density (772.46486s) started
T12 >> 1462235714.45906901 Calculate density matrix (725.67621s) started
T12 << 1462235726.58950710 Calculate density matrix (737.80665s) stopped
T12 >> 1462235726.58955503 Construct density (45.57016s) started
T12 << 1462235727.33171391 Construct density (46.31232s) stopped
T12 >> 1462235727.34531999 Symmetrize density (0.00494s) started
T12 << 1462235727.34537601 Symmetrize density (0.00499s) stopped
T12 << 1462235727.34746504 Pseudo density (785.35567s) stopped
T12 >> 1462235727.34752107 Atomic density matrices (193.09751s) started
T12 << 1462235730.50522399 Atomic density matrices (196.25522s) stopped
T12 >> 1462235730.50525594 Multipole moments (0.52646s) started
T12 << 1462235730.51436591 Multipole moments (0.53557s) stopped
T12 >> 1462235730.51438904 Normalize (0.43001s) started
T12 << 1462235730.52112889 Normalize (0.43675s) stopped
T12 >> 1462235730.52117109 Mix (26.53444s) started
T12 << 1462235730.93875003 Mix (26.95202s) stopped
T12 << 1462235730.93880010 Density (1009.53994s) stopped
T12 >> 1462235730.93882489 Hamiltonian (2815.95937s) started
T12 >> 1462235730.93883991 vbar (1.67683s) started
T12 << 1462235730.96853089 vbar (1.70652s) stopped
T12 >> 1462235730.96869302 XC 3D grid (1723.91048s) started
T12 >> 1462235731.44303799 van der Waals (1665.33590s) started
T12 >> 1462235731.54727101 semilocal (352.32078s) started
T12 << 1462235737.23803592 semilocal (358.01154s) stopped
T12 >> 1462235737.33302402 redistribute (173.93063s) started
T12 << 1462235738.44414496 redistribute (175.04175s) stopped
T12 >> 1462235738.44419003 libvdwxc nonlocal (1127.52309s) started
T12 << 1462235756.66660690 libvdwxc nonlocal (1145.74551s) stopped
T12 >> 1462235756.66666889 redistribute (175.04179s) started
T12 << 1462235758.36552906 redistribute (176.74065s) stopped
T12 << 1462235758.36663604 van der Waals (1692.25950s) stopped
T12 << 1462235758.82043004 XC 3D grid (1751.76221s) stopped
T12 >> 1462235758.82047391 Poisson (500.20171s) started
T12 << 1462235763.12423396 Poisson (504.50548s) stopped
T12 >> 1462235763.12431407 Hartree integrate/restrict (22.48250s) started
T12 << 1462235763.16609192 Hartree integrate/restrict (22.52428s) stopped
T12 >> 1462235763.16613507 Hartree integrate/restrict (22.52431s) started
T12 << 1462235763.47613001 Hartree integrate/restrict (22.83430s) stopped
T12 >> 1462235763.47648907 Atomic (146.49063s) started
T12 >> 1462235763.47799397 XC Correction (0.00202s) started
T12 << 1462235763.47800899 XC Correction (0.00204s) stopped
T12 << 1462235765.85484791 Atomic (148.86899s) stopped
T12 >> 1462235765.85492802 Communicate (421.16285s) started
T12 << 1462235772.97686291 Communicate (428.28478s) stopped
T12 << 1462235772.97689295 Hamiltonian (2857.99744s) stopped
T12 >> 1462235772.97691488 LCAO eigensolver (3997.74385s) started
T12 >> 1462235772.97692704 Potential matrix (61.85491s) started
T12 << 1462235773.94177103 Potential matrix (62.81975s) stopped
T12 >> 1462235773.94184709 DistributedAtomicCorrection (24.17908s) started
T12 << 1462235774.31387305 DistributedAtomicCorrection (24.55111s) stopped
T12 >> 1462235774.31392503 Distribute overlap matrix (427.24650s) started
T12 >> 1462235774.31394696 blocked summation (241.93710s) started
T12 << 1462235777.98794007 blocked summation (245.61109s) stopped
T12 >> 1462235777.99783301 Scalapack redistribute (184.68702s) started
T12 << 1462235781.10830903 Scalapack redistribute (187.79750s) stopped
T12 << 1462235781.10842609 Distribute overlap matrix (434.04100s) stopped
T12 >> 1462235781.11353207 Blacs Orbital Layouts (3373.73053s) started
T12 >> 1462235781.12225890 General diagonalize (3359.68560s) started
T12 << 1462235834.81783700 General diagonalize (3413.38118s) stopped
T12 >> 1462235834.81788397 Redistribute coefs (0.51577s) started
T12 << 1462235834.82617688 Redistribute coefs (0.52406s) stopped
T12 >> 1462235834.82623410 Send coefs to domains (12.96422s) started
T12 << 1462235834.95846391 Send coefs to domains (13.09645s) stopped
T12 << 1462235834.95897889 Blacs Orbital Layouts (3427.57598s) stopped
T12 >> 1462235834.95902491 Calculate projections (110.41936s) started
T12 << 1462235836.66257310 Calculate projections (112.12291s) stopped
T12 << 1462235836.66292500 LCAO eigensolver (4061.42986s) stopped
T12 << 1462235839.86301398 SCF-cycle (8136.06140s) stopped
T12 >> 1462235842.27204394 Force calculation (146.22434s) started
T12 >> 1462235842.27209592 LCAO forces (144.56434s) started
T12 >> 1462235842.27242899 Initial (0.00005s) started
T12 << 1462235842.27243996 Initial (0.00006s) stopped
T12 >> 1462235842.27838492 Get density matrix (76.94754s) started
T12 << 1462235851.38666892 Get density matrix (86.05582s) stopped
T12 >> 1462235851.38671207 Potential (11.88199s) started
T12 << 1462235857.27583289 Potential (17.77111s) stopped
T12 >> 1462235857.27589893 Get density matrix (86.05586s) started
T12 << 1462235886.89486599 Get density matrix (115.67482s) stopped
T12 >> 1462235886.89492106 Prepare TCI loop (4.17549s) started
T12 >> 1462235886.89534497 Get neighbors (3.75757s) started
T12 << 1462235888.76040506 Get neighbors (5.62263s) stopped
T12 >> 1462235888.76073003 broadcast dH (0.41667s) started
T12 << 1462235889.00952291 broadcast dH (0.66547s) stopped
T12 << 1462235889.00956511 Prepare TCI loop (6.29014s) stopped
T12 >> 1462235889.00958395 Not so complicated loop (0.23557s) started
T12 << 1462235889.12259007 Not so complicated loop (0.34858s) stopped
T12 >> 1462235889.23492002 Complicated loop (33.10300s) started
T12 << 1462235906.06291389 Complicated loop (49.93100s) stopped
T12 >> 1462235906.06384206 Wait for sum (18.00962s) started
T12 << 1462235915.33195400 Wait for sum (27.27774s) stopped
T12 << 1462235915.33199191 LCAO forces (217.62423s) stopped
T12 << 1462235916.16698003 Force calculation (220.11928s) stopped
T12 >> 1462235916.18439388 Initialization (333.48795s) started
T12 << 1462235916.18455291 Initialization (333.48810s) stopped
T12 >> 1462235916.18476892 Initialization (333.48812s) started
T12 << 1462235916.18489408 Initialization (333.48824s) stopped
T12 >> 1462235916.18501997 Initialization (333.48826s) started
T12 << 1462235916.18513703 Initialization (333.48838s) stopped
T12 >> 1462235936.44114208 Initialization (333.48839s) started
T12 >> 1462235936.61298990 Basic WFS set positions (0.23830s) started
T12 >> 1462235936.61301589 Redistribute (0.00317s) started
T12 << 1462235936.61315298 Redistribute (0.00331s) stopped
T12 << 1462235936.69281602 Basic WFS set positions (0.31813s) stopped
T12 >> 1462235936.69284105 Basis functions set positions (4.49780s) started
T12 << 1462235938.29966807 Basis functions set positions (6.10463s) stopped
T12 >> 1462235938.30038905 TCI: Calculate S, T, P (41.54512s) started
T12 << 1462235952.21838999 TCI: Calculate S, T, P (55.46312s) stopped
T12 >> 1462235952.21844292 blocked summation (43.48267s) started
T12 << 1462235967.77057910 blocked summation (59.03481s) stopped
T12 >> 1462235967.78025103 Scalapack redistribute (17.01565s) started
T12 << 1462235973.69473791 Scalapack redistribute (22.93014s) stopped
T12 >> 1462235973.69581389 blocked summation (59.03485s) started
T12 << 1462235974.65564990 blocked summation (59.99468s) stopped
T12 >> 1462235974.66583610 Scalapack redistribute (22.93021s) started
T12 << 1462235975.06106091 Scalapack redistribute (23.32543s) stopped
T12 >> 1462235975.06256700 Redistribute (0.00195s) started
T12 << 1462235975.06304312 Redistribute (0.00243s) stopped
T12 >> 1462235976.92415595 Redistribute (0.00245s) started
T12 << 1462235976.92455006 Redistribute (0.00284s) stopped
T12 >> 1462235976.93609309 LCAO WFS Initialize (216.89103s) started
T12 >> 1462235976.93617606 Density initialize from wavefunctions (29.04078s) started
T12 >> 1462235976.94073701 Calculate density matrix (20.68526s) started
T12 << 1462235986.69620109 Calculate density matrix (30.44072s) stopped
T12 >> 1462235986.69624805 Construct density (1.49370s) started
T12 << 1462235987.43895602 Construct density (2.23641s) stopped
T12 >> 1462235987.45087910 Symmetrize density (0.00015s) started
T12 << 1462235987.45094299 Symmetrize density (0.00022s) stopped
T12 << 1462235990.94077611 Density initialize from wavefunctions (43.04538s) stopped
T12 >> 1462235990.94100809 Hamiltonian (186.93662s) started
T12 >> 1462235990.94102407 vbar (0.09260s) started
T12 << 1462235990.97483397 vbar (0.12641s) stopped
T12 >> 1462235990.97499108 XC 3D grid (83.46891s) started
T12 >> 1462235991.45327806 van der Waals (80.61719s) started
T12 >> 1462235991.56474304 semilocal (17.48018s) started
T12 << 1462235997.33169103 semilocal (23.24712s) stopped
T12 >> 1462235997.41312408 redistribute (8.01360s) started
T12 << 1462235998.39672804 redistribute (8.99720s) stopped
T12 >> 1462235998.39679790 libvdwxc nonlocal (54.55232s) started
T12 << 1462236017.55063796 libvdwxc nonlocal (73.70616s) stopped
T12 >> 1462236017.55070591 redistribute (8.99725s) started
T12 << 1462236020.30078197 redistribute (11.74732s) stopped
T12 << 1462236020.30217099 van der Waals (109.46609s) stopped
T12 << 1462236020.75999808 XC 3D grid (113.25392s) stopped
T12 >> 1462236020.76005697 Poisson (68.06864s) started
T12 << 1462236040.98511600 Poisson (88.29369s) stopped
T12 >> 1462236040.98518395 Hartree integrate/restrict (1.12417s) started
T12 << 1462236041.03975201 Hartree integrate/restrict (1.17874s) stopped
T12 >> 1462236041.03985095 Hartree integrate/restrict (1.17881s) started
T12 << 1462236041.34909296 Hartree integrate/restrict (1.48805s) stopped
T12 >> 1462236041.34945798 Atomic (7.12238s) started
T12 >> 1462236041.35131097 XC Correction (0.00014s) started
T12 << 1462236041.35133600 XC Correction (0.00017s) stopped
T12 << 1462236043.69384599 Atomic (9.46676s) stopped
T12 >> 1462236043.69401407 Communicate (27.03364s) started
T12 << 1462236052.40146589 Communicate (35.74109s) stopped
T12 << 1462236052.40149999 Hamiltonian (248.39711s) stopped
T12 << 1462236052.40151310 LCAO WFS Initialize (292.35645s) stopped
T12 << 1462236052.41343808 Initialization (449.46069s) stopped
T12 >> 1462236052.43877792 SCF-cycle (8136.06142s) started
T12 >> 1462236052.43881392 LCAO eigensolver (4061.42988s) started
T12 >> 1462236052.43882608 Potential matrix (62.81980s) started
T12 << 1462236053.40549493 Potential matrix (63.78647s) stopped
T12 >> 1462236053.40558410 DistributedAtomicCorrection (24.55115s) started
T12 << 1462236053.78271508 DistributedAtomicCorrection (24.92828s) stopped
T12 >> 1462236053.78276896 Distribute overlap matrix (434.04101s) started
T12 >> 1462236053.78279400 blocked summation (245.61112s) started
T12 << 1462236057.62993407 blocked summation (249.45826s) stopped
T12 >> 1462236057.63959908 Scalapack redistribute (187.79757s) started
T12 << 1462236060.55525208 Scalapack redistribute (190.71322s) stopped
T12 << 1462236060.55537009 Distribute overlap matrix (440.81361s) stopped
T12 >> 1462236060.55986905 Blacs Orbital Layouts (3427.57599s) started
T12 >> 1462236060.56810308 General diagonalize (3413.38121s) started
T12 << 1462236118.15871596 General diagonalize (3470.97182s) stopped
T12 >> 1462236118.15876198 Redistribute coefs (0.52409s) started
T12 << 1462236118.16630411 Redistribute coefs (0.53164s) stopped
T12 >> 1462236118.16634607 Send coefs to domains (13.09648s) started
T12 << 1462236118.33265400 Send coefs to domains (13.26279s) stopped
T12 << 1462236118.33286691 Blacs Orbital Layouts (3485.34899s) stopped
T12 >> 1462236118.33289504 Calculate projections (112.12297s) started
T12 << 1462236120.02978802 Calculate projections (113.81986s) stopped
T12 << 1462236120.03015089 LCAO eigensolver (4129.02122s) stopped
T12 >> 1462236123.23712897 Density (1009.53995s) started
T12 >> 1462236123.23714399 Pseudo density (785.35571s) started
T12 >> 1462236123.23958492 Calculate density matrix (737.80668s) started
T12 << 1462236135.42498207 Calculate density matrix (749.99207s) stopped
T12 >> 1462236135.42502904 Construct density (46.31237s) started
T12 << 1462236136.16677904 Construct density (47.05412s) stopped
T12 >> 1462236136.18114710 Symmetrize density (0.00501s) started
T12 << 1462236136.18121195 Symmetrize density (0.00507s) stopped
T12 << 1462236136.18318510 Pseudo density (798.30175s) stopped
T12 >> 1462236136.18324304 Atomic density matrices (196.25524s) started
T12 << 1462236139.32821798 Atomic density matrices (199.40022s) stopped
T12 >> 1462236139.32824993 Multipole moments (0.53559s) started
T12 << 1462236139.33766890 Multipole moments (0.54501s) stopped
T12 >> 1462236139.33769703 Normalize (0.43678s) started
T12 << 1462236139.34520793 Normalize (0.44429s) stopped
T12 >> 1462236139.34524989 Mix (26.95207s) started
T12 << 1462236139.69528008 Mix (27.30210s) stopped
T12 << 1462236139.69532204 Density (1025.99814s) stopped
T12 >> 1462236139.69535589 Hamiltonian (2857.99745s) started
T12 >> 1462236139.69537401 vbar (1.70662s) started
T12 << 1462236139.73115897 vbar (1.74241s) stopped
T12 >> 1462236139.73132205 XC 3D grid (1751.76225s) started
T12 >> 1462236140.20072889 van der Waals (1692.25952s) started
T12 >> 1462236140.31001711 semilocal (358.01167s) started
T12 << 1462236146.02428603 semilocal (363.72594s) stopped
T12 >> 1462236146.10661888 redistribute (176.74071s) started
T12 << 1462236147.14560795 redistribute (177.77970s) stopped
T12 >> 1462236147.14565206 libvdwxc nonlocal (1145.74555s) started
T12 << 1462236165.68090796 libvdwxc nonlocal (1164.28081s) stopped
T12 >> 1462236165.68097210 redistribute (177.77973s) started
T12 << 1462236167.34617400 redistribute (179.44493s) stopped
T12 << 1462236167.34737992 van der Waals (1719.40617s) stopped
T12 << 1462236167.80440593 XC 3D grid (1779.83533s) stopped
T12 >> 1462236167.80444503 Poisson (504.50553s) started
T12 << 1462236183.50912595 Poisson (520.21022s) stopped
T12 >> 1462236183.50919390 Hartree integrate/restrict (22.83435s) started
T12 << 1462236183.55773807 Hartree integrate/restrict (22.88290s) stopped
T12 >> 1462236183.55778599 Hartree integrate/restrict (22.88293s) started
T12 << 1462236183.86390305 Hartree integrate/restrict (23.18904s) stopped
T12 >> 1462236183.86422896 Atomic (148.86901s) started
T12 >> 1462236183.86608291 XC Correction (0.00205s) started
T12 << 1462236183.86610103 XC Correction (0.00206s) stopped
T12 << 1462236186.24365211 Atomic (151.24844s) stopped
T12 >> 1462236186.24382997 Communicate (428.28480s) started
T12 << 1462236193.12525892 Communicate (435.16623s) stopped
T12 << 1462236193.12528706 Hamiltonian (2911.42738s) stopped
T12 >> 1462236193.12530899 LCAO eigensolver (4129.02124s) started
T12 >> 1462236193.12532210 Potential matrix (63.78652s) started
T12 << 1462236194.08955312 Potential matrix (64.75075s) stopped
T12 >> 1462236194.08963799 DistributedAtomicCorrection (24.92832s) started
T12 << 1462236194.46424508 DistributedAtomicCorrection (25.30293s) stopped
T12 >> 1462236194.46429610 Distribute overlap matrix (440.81362s) started
T12 >> 1462236194.46431708 blocked summation (249.45829s) started
T12 << 1462236198.32941508 blocked summation (253.32339s) stopped
T12 >> 1462236198.33901405 Scalapack redistribute (190.71328s) started
T12 << 1462236201.17124295 Scalapack redistribute (193.54551s) stopped
T12 << 1462236201.17135310 Distribute overlap matrix (447.52068s) stopped
T12 >> 1462236201.17521191 Blacs Orbital Layouts (3485.34901s) started
T12 >> 1462236201.18375993 General diagonalize (3470.97186s) started
T12 << 1462236254.42672896 General diagonalize (3524.21483s) stopped
T12 >> 1462236254.42677307 Redistribute coefs (0.53167s) started
T12 << 1462236254.43427896 Redistribute coefs (0.53917s) stopped
T12 >> 1462236254.43432212 Send coefs to domains (13.26282s) started
T12 << 1462236254.55011606 Send coefs to domains (13.37862s) stopped
T12 << 1462236254.55067801 Blacs Orbital Layouts (3538.72448s) stopped
T12 >> 1462236254.55070496 Calculate projections (113.81991s) started
T12 << 1462236256.24873710 Calculate projections (115.51794s) stopped
T12 << 1462236256.24909902 LCAO eigensolver (4192.14503s) stopped
T12 >> 1462236259.44786000 Density (1025.99816s) started
T12 >> 1462236259.44787502 Pseudo density (798.30180s) started
T12 >> 1462236259.45028901 Calculate density matrix (749.99210s) started
T12 << 1462236271.40994906 Calculate density matrix (761.95176s) stopped
T12 >> 1462236271.40999508 Construct density (47.05417s) started
T12 << 1462236272.15173006 Construct density (47.79590s) stopped
T12 >> 1462236272.16551089 Symmetrize density (0.00509s) started
T12 << 1462236272.16557407 Symmetrize density (0.00515s) stopped
T12 << 1462236272.16755700 Pseudo density (811.02148s) stopped
T12 >> 1462236272.16761398 Atomic density matrices (199.40024s) started
T12 << 1462236275.40699005 Atomic density matrices (202.63962s) stopped
T12 >> 1462236275.40702200 Multipole moments (0.54502s) started
T12 << 1462236275.41591001 Multipole moments (0.55391s) stopped
T12 >> 1462236275.41593790 Normalize (0.44432s) started
T12 << 1462236275.42348003 Normalize (0.45186s) stopped
T12 >> 1462236275.42352509 Mix (27.30214s) started
T12 << 1462236275.81971788 Mix (27.69834s) stopped
T12 << 1462236275.81977296 Density (1042.37007s) stopped
T12 >> 1462236275.81980610 Hamiltonian (2911.42739s) started
T12 >> 1462236275.81982088 vbar (1.74250s) started
T12 << 1462236275.84205604 vbar (1.76474s) stopped
T12 >> 1462236275.84216595 XC 3D grid (1779.83536s) started
T12 >> 1462236276.34635997 van der Waals (1719.40620s) started
T12 >> 1462236276.45741892 semilocal (363.72606s) started
T12 << 1462236282.27682805 semilocal (369.54547s) stopped
T12 >> 1462236282.35855293 redistribute (179.44497s) started
T12 << 1462236283.32345200 redistribute (180.40987s) stopped
T12 >> 1462236283.32349491 libvdwxc nonlocal (1164.28086s) started
T12 << 1462236302.27544498 libvdwxc nonlocal (1183.23281s) stopped
T12 >> 1462236302.27548599 redistribute (180.40990s) started
T12 << 1462236303.92826295 redistribute (182.06268s) stopped
T12 << 1462236303.93004608 van der Waals (1746.98989s) stopped
T12 << 1462236304.39016604 XC 3D grid (1808.38336s) stopped
T12 >> 1462236304.39020491 Poisson (520.21026s) started
T12 << 1462236314.52823901 Poisson (530.34830s) stopped
T12 >> 1462236314.52830100 Hartree integrate/restrict (23.18908s) started
T12 << 1462236314.58292198 Hartree integrate/restrict (23.24370s) stopped
T12 >> 1462236314.58297205 Hartree integrate/restrict (23.24373s) started
T12 << 1462236314.89142108 Hartree integrate/restrict (23.55218s) stopped
T12 >> 1462236314.89173889 Atomic (151.24846s) started
T12 >> 1462236314.89332104 XC Correction (0.00208s) started
T12 << 1462236314.89333606 XC Correction (0.00209s) stopped
T12 << 1462236317.26857495 Atomic (153.62529s) stopped
T12 >> 1462236317.26873994 Communicate (435.16625s) started
T12 << 1462236324.17820692 Communicate (442.07571s) stopped
T12 << 1462236324.17824197 Hamiltonian (2959.78583s) stopped
T12 >> 1462236324.17826796 LCAO eigensolver (4192.14504s) started
T12 >> 1462236324.17828012 Potential matrix (64.75080s) started
T12 << 1462236325.13180590 Potential matrix (65.70433s) stopped
T12 >> 1462236325.13187790 DistributedAtomicCorrection (25.30296s) started
T12 << 1462236325.50165391 DistributedAtomicCorrection (25.67274s) stopped
T12 >> 1462236325.50170588 Distribute overlap matrix (447.52069s) started
T12 >> 1462236325.50172710 blocked summation (253.32342s) started
T12 << 1462236329.38703704 blocked summation (257.20873s) stopped
T12 >> 1462236329.39675999 Scalapack redistribute (193.54558s) started
T12 << 1462236332.30514002 Scalapack redistribute (196.45396s) stopped
T12 << 1462236332.30524993 Distribute overlap matrix (454.32424s) stopped
T12 >> 1462236332.30936003 Blacs Orbital Layouts (3538.72449s) started
T12 >> 1462236332.31792212 General diagonalize (3524.21487s) started
T12 << 1462236383.92270494 General diagonalize (3575.81965s) stopped
T12 >> 1462236383.92275000 Redistribute coefs (0.53921s) started
T12 << 1462236383.93024492 Redistribute coefs (0.54670s) stopped
T12 >> 1462236383.93028998 Send coefs to domains (13.37865s) started
T12 << 1462236384.06635594 Send coefs to domains (13.51471s) stopped
T12 << 1462236384.06693196 Blacs Orbital Layouts (3590.48207s) stopped
T12 >> 1462236384.06697798 Calculate projections (115.51800s) started
T12 << 1462236385.76563692 Calculate projections (117.21666s) stopped
T12 << 1462236385.76598811 LCAO eigensolver (4253.73276s) stopped
T12 >> 1462236388.96853995 Density (1042.37008s) started
T12 >> 1462236388.96855497 Pseudo density (811.02153s) started
T12 >> 1462236388.97073889 Calculate density matrix (761.95179s) started
T12 << 1462236400.76367807 Calculate density matrix (773.74473s) stopped
T12 >> 1462236400.76372504 Construct density (47.79596s) started
T12 << 1462236401.50448203 Construct density (48.53671s) stopped
T12 >> 1462236401.51838207 Symmetrize density (0.00517s) started
T12 << 1462236401.51844096 Symmetrize density (0.00523s) stopped
T12 << 1462236401.52042007 Pseudo density (823.57339s) stopped
T12 >> 1462236401.52047801 Atomic density matrices (202.63964s) started
T12 << 1462236404.66415596 Atomic density matrices (205.78332s) stopped
T12 >> 1462236404.66418695 Multipole moments (0.55393s) started
T12 << 1462236404.67308211 Multipole moments (0.56282s) stopped
T12 >> 1462236404.67311001 Normalize (0.45189s) started
T12 << 1462236404.68027210 Normalize (0.45906s) stopped
T12 >> 1462236404.68032598 Mix (27.69839s) started
T12 << 1462236405.04708409 Mix (28.06515s) stopped
T12 << 1462236405.04714203 Density (1058.44869s) stopped
T12 >> 1462236405.04717207 Hamiltonian (2959.78584s) started
T12 >> 1462236405.04718590 vbar (1.76480s) started
T12 << 1462236405.06880903 vbar (1.78643s) stopped
T12 >> 1462236405.06890798 XC 3D grid (1808.38339s) started
T12 >> 1462236405.56471300 van der Waals (1746.98993s) started
T12 >> 1462236405.67660403 semilocal (369.54557s) started
T12 << 1462236411.42086506 semilocal (375.28983s) stopped
T12 >> 1462236411.51060295 redistribute (182.06273s) started
T12 << 1462236412.51546311 redistribute (183.06759s) stopped
T12 >> 1462236412.51550889 libvdwxc nonlocal (1183.23284s) started
T12 << 1462236430.81185293 libvdwxc nonlocal (1201.52918s) stopped
T12 >> 1462236430.81191993 redistribute (183.06762s) started
T12 << 1462236432.54521704 redistribute (184.80092s) stopped
T12 << 1462236432.54637408 van der Waals (1773.97159s) stopped
T12 << 1462236432.99975896 XC 3D grid (1836.31424s) stopped
T12 >> 1462236432.99980211 Poisson (530.34834s) started
T12 << 1462236445.76805592 Poisson (543.11659s) stopped
T12 >> 1462236445.76815200 Hartree integrate/restrict (23.55221s) started
T12 << 1462236445.81340003 Hartree integrate/restrict (23.59746s) stopped
T12 >> 1462236445.81347299 Hartree integrate/restrict (23.59751s) started
T12 << 1462236446.12678194 Hartree integrate/restrict (23.91082s) stopped
T12 >> 1462236446.12715292 Atomic (153.62531s) started
T12 >> 1462236446.12880111 XC Correction (0.00210s) started
T12 << 1462236446.12881899 XC Correction (0.00212s) stopped
T12 << 1462236448.49803400 Atomic (155.99620s) stopped
T12 >> 1462236448.49818707 Communicate (442.07574s) started
T12 << 1462236455.42580104 Communicate (449.00335s) stopped
T12 << 1462236455.42583108 Hamiltonian (3010.16450s) stopped
T12 >> 1462236455.42585397 LCAO eigensolver (4253.73278s) started
T12 >> 1462236455.42586708 Potential matrix (65.70437s) started
T12 << 1462236456.39059591 Potential matrix (66.66910s) stopped
T12 >> 1462236456.39066505 DistributedAtomicCorrection (25.67278s) started
T12 << 1462236456.76005197 DistributedAtomicCorrection (26.04216s) stopped
T12 >> 1462236456.76010299 Distribute overlap matrix (454.32425s) started
T12 >> 1462236456.76012397 blocked summation (257.20876s) started
T12 << 1462236460.97316599 blocked summation (261.42180s) stopped
T12 >> 1462236460.98297691 Scalapack redistribute (196.45402s) started
T12 << 1462236463.56484103 Scalapack redistribute (199.03588s) stopped
T12 << 1462236463.56494594 Distribute overlap matrix (461.12909s) stopped
T12 >> 1462236463.56918812 Blacs Orbital Layouts (3590.48209s) started
T12 >> 1462236463.57778311 General diagonalize (3575.81969s) started
T12 << 1462236513.53140712 General diagonalize (3625.77331s) stopped
T12 >> 1462236513.53145194 Redistribute coefs (0.54674s) started
T12 << 1462236513.53853893 Redistribute coefs (0.55382s) stopped
T12 >> 1462236513.53857994 Send coefs to domains (13.51475s) started
T12 << 1462236513.64192796 Send coefs to domains (13.61809s) stopped
T12 << 1462236513.64225411 Blacs Orbital Layouts (3640.55515s) stopped
T12 >> 1462236513.64230299 Calculate projections (117.21671s) started
T12 << 1462236515.33978105 Calculate projections (118.91419s) stopped
T12 << 1462236515.34011889 LCAO eigensolver (4313.64705s) stopped
T12 >> 1462236518.55466199 Density (1058.44870s) started
T12 >> 1462236518.55467701 Pseudo density (823.57344s) started
T12 >> 1462236518.55745912 Calculate density matrix (773.74476s) started
T12 << 1462236530.64673805 Calculate density matrix (785.83404s) stopped
T12 >> 1462236530.64678597 Construct density (48.53677s) started
T12 << 1462236531.38807201 Construct density (49.27805s) stopped
T12 >> 1462236531.40214896 Symmetrize density (0.00525s) started
T12 << 1462236531.40221000 Symmetrize density (0.00531s) stopped
T12 << 1462236531.40420604 Pseudo density (836.42297s) stopped
T12 >> 1462236531.40426397 Atomic density matrices (205.78334s) started
T12 << 1462236534.60213494 Atomic density matrices (208.98122s) stopped
T12 >> 1462236534.60216808 Multipole moments (0.56284s) started
T12 << 1462236534.61193395 Multipole moments (0.57260s) stopped
T12 >> 1462236534.61196208 Normalize (0.45910s) started
T12 << 1462236534.61917996 Normalize (0.46631s) stopped
T12 >> 1462236534.61923099 Mix (28.06521s) started
T12 << 1462236535.01062489 Mix (28.45660s) stopped
T12 << 1462236535.01067495 Density (1074.90471s) stopped
T12 >> 1462236535.01070189 Hamiltonian (3010.16451s) started
T12 >> 1462236535.01071811 vbar (1.78649s) started
T12 << 1462236535.03055310 vbar (1.80632s) stopped
T12 >> 1462236535.03063011 XC 3D grid (1836.31427s) started
T12 >> 1462236535.54979491 van der Waals (1773.97161s) started
T12 >> 1462236535.65840411 semilocal (375.28992s) started
T12 << 1462236541.35259509 semilocal (380.98411s) stopped
T12 >> 1462236541.43236303 redistribute (184.80097s) started
T12 << 1462236542.50936890 redistribute (185.87798s) stopped
T12 >> 1462236542.50943303 libvdwxc nonlocal (1201.52923s) started
T12 << 1462236561.10593510 libvdwxc nonlocal (1220.12574s) stopped
T12 >> 1462236561.10597706 redistribute (185.87803s) started
T12 << 1462236562.75231409 redistribute (187.52437s) stopped
T12 << 1462236562.75365591 van der Waals (1801.17547s) stopped
T12 << 1462236563.20736098 XC 3D grid (1864.49101s) stopped
T12 >> 1462236563.20740390 Poisson (543.11667s) started
T12 << 1462236573.17933106 Poisson (553.08859s) stopped
T12 >> 1462236573.17940211 Hartree integrate/restrict (23.91087s) started
T12 << 1462236573.22836590 Hartree integrate/restrict (23.95984s) stopped
T12 >> 1462236573.22841096 Hartree integrate/restrict (23.95986s) started
T12 << 1462236573.53192210 Hartree integrate/restrict (24.26338s) stopped
T12 >> 1462236573.53229594 Atomic (155.99622s) started
T12 >> 1462236573.53395104 XC Correction (0.00213s) started
T12 << 1462236573.53397489 XC Correction (0.00216s) stopped
T12 << 1462236575.93372107 Atomic (158.39764s) stopped
T12 >> 1462236575.93386292 Communicate (449.00337s) started
T12 << 1462236582.91099405 Communicate (455.98050s) stopped
T12 << 1462236582.91102791 Hamiltonian (3058.06484s) stopped
T12 >> 1462236582.91105294 LCAO eigensolver (4313.64707s) started
T12 >> 1462236582.91106606 Potential matrix (66.66914s) started
T12 << 1462236583.87683702 Potential matrix (67.63491s) stopped
T12 >> 1462236583.87692094 DistributedAtomicCorrection (26.04220s) started
T12 << 1462236584.24313402 DistributedAtomicCorrection (26.40842s) stopped
T12 >> 1462236584.24318290 Distribute overlap matrix (461.12910s) started
T12 >> 1462236584.24320412 blocked summation (261.42183s) started
T12 << 1462236588.12357497 blocked summation (265.30220s) stopped
T12 >> 1462236588.13331008 Scalapack redistribute (199.03594s) started
T12 << 1462236591.03669596 Scalapack redistribute (201.93933s) stopped
T12 << 1462236591.03680897 Distribute overlap matrix (467.92273s) stopped
T12 >> 1462236591.04082203 Blacs Orbital Layouts (3640.55517s) started
T12 >> 1462236591.04924393 General diagonalize (3625.77335s) started
T12 << 1462236641.15442491 General diagonalize (3675.87853s) stopped
T12 >> 1462236641.15447807 Redistribute coefs (0.55386s) started
T12 << 1462236641.16271901 Redistribute coefs (0.56210s) stopped
T12 >> 1462236641.16276598 Send coefs to domains (13.61813s) started
T12 << 1462236641.50707006 Send coefs to domains (13.96243s) stopped
T12 << 1462236641.50755906 Blacs Orbital Layouts (3691.02191s) stopped
T12 >> 1462236641.50761604 Calculate projections (118.91424s) started
T12 << 1462236643.22420907 Calculate projections (120.63083s) stopped
T12 << 1462236643.22462392 LCAO eigensolver (4373.96064s) stopped
T12 >> 1462236646.41871691 Density (1074.90473s) started
T12 >> 1462236646.41873407 Pseudo density (836.42301s) started
T12 >> 1462236646.42150497 Calculate density matrix (785.83407s) started
T12 << 1462236658.26623607 Calculate density matrix (797.67881s) stopped
T12 >> 1462236658.26629305 Construct density (49.27810s) started
T12 << 1462236659.01186705 Construct density (50.02368s) stopped
T12 >> 1462236659.02821398 Symmetrize density (0.00533s) started
T12 << 1462236659.02828503 Symmetrize density (0.00540s) stopped
T12 << 1462236659.03078604 Pseudo density (849.03507s) stopped
T12 >> 1462236659.03085995 Atomic density matrices (208.98124s) started
T12 << 1462236662.09591508 Atomic density matrices (212.04630s) stopped
T12 >> 1462236662.09595108 Multipole moments (0.57262s) started
T12 << 1462236662.10527897 Multipole moments (0.58195s) stopped
T12 >> 1462236662.10530496 Normalize (0.46635s) started
T12 << 1462236662.11342001 Normalize (0.47446s) stopped
T12 >> 1462236662.11349297 Mix (28.45665s) started
T12 << 1462236662.53781199 Mix (28.88097s) stopped
T12 << 1462236662.53786397 Density (1091.02387s) stopped
T12 >> 1462236662.53789091 Hamiltonian (3058.06485s) started
T12 >> 1462236662.53790689 vbar (1.80636s) started
T12 << 1462236662.57205892 vbar (1.84052s) stopped
T12 >> 1462236662.57224989 XC 3D grid (1864.49104s) started
T12 >> 1462236663.04997897 van der Waals (1801.17551s) started
T12 >> 1462236663.16328406 semilocal (380.98421s) started
T12 << 1462236668.92279911 semilocal (386.74372s) stopped
T12 >> 1462236668.99691391 redistribute (187.52440s) started
T12 << 1462236670.00250506 redistribute (188.52999s) stopped
T12 >> 1462236670.00258303 libvdwxc nonlocal (1220.12577s) started
T12 << 1462236688.35247898 libvdwxc nonlocal (1238.47566s) stopped
T12 >> 1462236688.35255289 redistribute (188.53005s) started
T12 << 1462236690.32529402 redistribute (190.50279s) stopped
T12 << 1462236690.32653809 van der Waals (1828.45207s) stopped
T12 << 1462236690.78526092 XC 3D grid (1892.70405s) stopped
T12 >> 1462236690.78531289 Poisson (553.08864s) started
T12 << 1462236697.93041897 Poisson (560.23375s) stopped
T12 >> 1462236697.93048692 Hartree integrate/restrict (24.26343s) started
T12 << 1462236697.96844506 Hartree integrate/restrict (24.30139s) stopped
T12 >> 1462236697.96856308 Hartree integrate/restrict (24.30147s) started
T12 << 1462236698.29177809 Hartree integrate/restrict (24.62468s) stopped
T12 >> 1462236698.29214597 Atomic (158.39767s) started
T12 >> 1462236698.29392695 XC Correction (0.00217s) started
T12 << 1462236698.29394197 XC Correction (0.00218s) stopped
T12 << 1462236700.66213489 Atomic (160.76765s) stopped
T12 >> 1462236700.66227198 Communicate (455.98052s) started
T12 << 1462236707.51211095 Communicate (462.83036s) stopped
T12 << 1462236707.51215100 Hamiltonian (3103.03911s) stopped
T12 >> 1462236707.51217699 LCAO eigensolver (4373.96066s) started
T12 >> 1462236707.51219010 Potential matrix (67.63496s) started
T12 << 1462236708.47316194 Potential matrix (68.59593s) stopped
T12 >> 1462236708.47325802 DistributedAtomicCorrection (26.40845s) started
T12 << 1462236708.85644603 DistributedAtomicCorrection (26.79164s) stopped
T12 >> 1462236708.85649705 Distribute overlap matrix (467.92274s) started
T12 >> 1462236708.85652208 blocked summation (265.30223s) started
T12 << 1462236712.77048707 blocked summation (269.21619s) stopped
T12 >> 1462236712.77946305 Scalapack redistribute (201.93939s) started
T12 << 1462236715.61794901 Scalapack redistribute (204.77788s) stopped
T12 << 1462236715.61806703 Distribute overlap matrix (474.68431s) stopped
T12 >> 1462236715.62297201 Blacs Orbital Layouts (3691.02193s) started
T12 >> 1462236715.63223600 General diagonalize (3675.87857s) started
T12 << 1462236767.60820794 General diagonalize (3727.85455s) stopped
T12 >> 1462236767.60826111 Redistribute coefs (0.56213s) started
T12 << 1462236767.61579108 Redistribute coefs (0.56966s) stopped
T12 >> 1462236767.61586404 Send coefs to domains (13.96248s) started
T12 << 1462236767.72118998 Send coefs to domains (14.06781s) stopped
T12 << 1462236767.72165203 Blacs Orbital Layouts (3743.12061s) stopped
T12 >> 1462236767.72170901 Calculate projections (120.63089s) started
T12 << 1462236769.43751097 Calculate projections (122.34669s) stopped
T12 << 1462236769.43772507 LCAO eigensolver (4435.88620s) stopped
T12 >> 1462236772.64784288 Density (1091.02389s) started
T12 >> 1462236772.64786005 Pseudo density (849.03512s) started
T12 >> 1462236772.65092111 Calculate density matrix (797.67885s) started
T12 << 1462236784.46150804 Calculate density matrix (809.48943s) stopped
T12 >> 1462236784.46156406 Construct density (50.02373s) started
T12 << 1462236785.20672488 Construct density (50.76889s) stopped
T12 >> 1462236785.22310090 Symmetrize density (0.00542s) started
T12 << 1462236785.22317410 Symmetrize density (0.00549s) stopped
T12 << 1462236785.22560191 Pseudo density (861.61287s) stopped
T12 >> 1462236785.22566891 Atomic density matrices (212.04633s) started
T12 << 1462236788.35910892 Atomic density matrices (215.17977s) stopped
T12 >> 1462236788.35914612 Multipole moments (0.58197s) started
T12 << 1462236788.36859393 Multipole moments (0.59141s) stopped
T12 >> 1462236788.36861801 Normalize (0.47451s) started
T12 << 1462236788.37720609 Normalize (0.48310s) stopped
T12 >> 1462236788.37725306 Mix (28.88102s) started
T12 << 1462236788.83671808 Mix (29.34049s) stopped
T12 << 1462236788.83677292 Density (1107.21282s) stopped
T12 >> 1462236788.83684111 Hamiltonian (3103.03912s) started
T12 >> 1462236788.83685803 vbar (1.84061s) started
T12 << 1462236788.86225510 vbar (1.86601s) stopped
T12 >> 1462236788.86233711 XC 3D grid (1892.70409s) started
T12 >> 1462236789.35927296 van der Waals (1828.45209s) started
T12 >> 1462236789.47248697 semilocal (386.74387s) started
T12 << 1462236795.22152710 semilocal (392.49291s) stopped
T12 >> 1462236795.29723096 redistribute (190.50283s) started
T12 << 1462236796.34086490 redistribute (191.54647s) stopped
T12 >> 1462236796.34091997 libvdwxc nonlocal (1238.47572s) started
T12 << 1462236814.79337692 libvdwxc nonlocal (1256.92818s) stopped
T12 >> 1462236814.79344392 redistribute (191.54651s) started
T12 << 1462236816.77310395 redistribute (193.52617s) stopped
T12 << 1462236816.77436590 van der Waals (1855.86719s) stopped
T12 << 1462236817.22709394 XC 3D grid (1921.06885s) stopped
T12 >> 1462236817.22715497 Poisson (560.23380s) started
T12 << 1462236822.98852110 Poisson (565.99517s) stopped
T12 >> 1462236822.98866701 Hartree integrate/restrict (24.62474s) started
T12 << 1462236823.02630091 Hartree integrate/restrict (24.66237s) stopped
T12 >> 1462236823.02647805 Hartree integrate/restrict (24.66249s) started
T12 << 1462236823.34903693 Hartree integrate/restrict (24.98505s) stopped
T12 >> 1462236823.34939694 Atomic (160.76768s) started
T12 >> 1462236823.35110688 XC Correction (0.00219s) started
T12 << 1462236823.35112095 XC Correction (0.00221s) stopped
T12 << 1462236825.72340107 Atomic (163.14168s) stopped
T12 >> 1462236825.72352290 Communicate (462.83039s) started
T12 << 1462236832.57304096 Communicate (469.67991s) stopped
T12 << 1462236832.57307696 Hamiltonian (3146.77536s) stopped
T12 >> 1462236832.57310104 LCAO eigensolver (4435.88622s) started
T12 >> 1462236832.57311392 Potential matrix (68.59599s) started
T12 << 1462236833.53035402 Potential matrix (69.55323s) stopped
T12 >> 1462236833.53044891 DistributedAtomicCorrection (26.79168s) started
T12 << 1462236833.91252208 DistributedAtomicCorrection (27.17375s) stopped
T12 >> 1462236833.91257405 Distribute overlap matrix (474.68433s) started
T12 >> 1462236833.91259909 blocked summation (269.21623s) started
T12 << 1462236837.77045298 blocked summation (273.07408s) stopped
T12 >> 1462236837.78000093 Scalapack redistribute (204.77794s) started
T12 << 1462236840.69419098 Scalapack redistribute (207.69213s) stopped
T12 << 1462236840.69431305 Distribute overlap matrix (481.46606s) stopped
T12 >> 1462236840.69904208 Blacs Orbital Layouts (3743.12063s) started
T12 >> 1462236840.70815492 General diagonalize (3727.85459s) started
T12 << 1462236890.85374403 General diagonalize (3778.00018s) stopped
T12 >> 1462236890.85379696 Redistribute coefs (0.56972s) started
T12 << 1462236890.86157489 Redistribute coefs (0.57750s) stopped
T12 >> 1462236890.86162090 Send coefs to domains (14.06784s) started
T12 << 1462236890.96918511 Send coefs to domains (14.17541s) stopped
T12 << 1462236890.96968889 Blacs Orbital Layouts (3793.39127s) stopped
T12 >> 1462236890.96974492 Calculate projections (122.34675s) started
T12 << 1462236892.68636107 Calculate projections (124.06337s) stopped
T12 << 1462236892.68673897 LCAO eigensolver (4495.99986s) stopped
T12 >> 1462236895.89415693 Density (1107.21287s) started
T12 >> 1462236895.89417291 Pseudo density (861.61292s) started
T12 >> 1462236895.89686108 Calculate density matrix (809.48947s) started
T12 << 1462236907.72206903 Calculate density matrix (821.31468s) stopped
T12 >> 1462236907.72212505 Construct density (50.76895s) started
T12 << 1462236908.46593904 Construct density (51.51277s) stopped
T12 >> 1462236908.48264194 Symmetrize density (0.00551s) started
T12 << 1462236908.48271203 Symmetrize density (0.00558s) stopped
T12 << 1462236908.48516798 Pseudo density (874.20391s) stopped
T12 >> 1462236908.48523307 Atomic density matrices (215.17979s) started
T12 << 1462236911.58387089 Atomic density matrices (218.27843s) stopped
T12 >> 1462236911.58390808 Multipole moments (0.59143s) started
T12 << 1462236911.59335995 Multipole moments (0.60088s) stopped
T12 >> 1462236911.59338498 Normalize (0.48314s) started
T12 << 1462236911.60116696 Normalize (0.49092s) stopped
T12 >> 1462236911.60121489 Mix (29.34054s) started
T12 << 1462236912.02780604 Mix (29.76713s) stopped
T12 << 1462236912.02784300 Density (1123.34655s) stopped
T12 >> 1462236912.02786994 Hamiltonian (3146.77537s) started
T12 >> 1462236912.02788711 vbar (1.86605s) started
T12 << 1462236912.06362295 vbar (1.90178s) stopped
T12 >> 1462236912.06380701 XC 3D grid (1921.06890s) started
T12 >> 1462236912.52806497 van der Waals (1855.86721s) started
T12 >> 1462236912.64096498 semilocal (392.49302s) started
T12 << 1462236918.39657688 semilocal (398.24863s) stopped
T12 >> 1462236918.47204494 redistribute (193.52621s) started
T12 << 1462236919.54653311 redistribute (194.60070s) stopped
T12 >> 1462236919.54658389 libvdwxc nonlocal (1256.92823s) started
T12 << 1462236938.11951494 libvdwxc nonlocal (1275.50116s) stopped
T12 >> 1462236938.11959291 redistribute (194.60074s) started
T12 << 1462236940.29011607 redistribute (196.77126s) stopped
T12 << 1462236940.29133296 van der Waals (1883.63048s) stopped
T12 << 1462236940.74448109 XC 3D grid (1949.74957s) stopped
T12 >> 1462236940.74452996 Poisson (565.99528s) started
T12 << 1462236946.58206010 Poisson (571.83281s) stopped
T12 >> 1462236946.58217907 Hartree integrate/restrict (24.98510s) started
T12 << 1462236946.61991000 Hartree integrate/restrict (25.02283s) stopped
T12 >> 1462236946.61998701 Hartree integrate/restrict (25.02288s) started
T12 << 1462236946.95604992 Hartree integrate/restrict (25.35895s) stopped
T12 >> 1462236946.95637202 Atomic (163.14170s) started
T12 >> 1462236946.95804000 XC Correction (0.00222s) started
T12 << 1462236946.95805407 XC Correction (0.00223s) stopped
T12 << 1462236949.32762408 Atomic (165.51296s) stopped
T12 >> 1462236949.32772493 Communicate (469.67993s) started
T12 << 1462236956.15280890 Communicate (476.50501s) stopped
T12 << 1462236956.15285110 Hamiltonian (3190.90035s) stopped
T12 >> 1462236956.15287709 LCAO eigensolver (4495.99988s) started
T12 >> 1462236956.15288997 Potential matrix (69.55328s) started
T12 << 1462236957.11103296 Potential matrix (70.51142s) stopped
T12 >> 1462236957.11112905 DistributedAtomicCorrection (27.17379s) started
T12 << 1462236957.49079394 DistributedAtomicCorrection (27.55346s) stopped
T12 >> 1462236957.49084997 Distribute overlap matrix (481.46608s) started
T12 >> 1462236957.49087405 blocked summation (273.07414s) started
T12 << 1462236961.38851190 blocked summation (276.97178s) stopped
T12 >> 1462236961.39811206 Scalapack redistribute (207.69220s) started
T12 << 1462236964.28361297 Scalapack redistribute (210.57770s) stopped
T12 << 1462236964.28373909 Distribute overlap matrix (488.25897s) stopped
T12 >> 1462236964.28841090 Blacs Orbital Layouts (3793.39129s) started
T12 >> 1462236964.29734111 General diagonalize (3778.00022s) started
T12 << 1462237014.37524796 General diagonalize (3828.07813s) stopped
T12 >> 1462237014.37529612 Redistribute coefs (0.57754s) started
T12 << 1462237014.38264489 Redistribute coefs (0.58488s) stopped
T12 >> 1462237014.38268495 Send coefs to domains (14.17545s) started
T12 << 1462237014.69433403 Send coefs to domains (14.48710s) stopped
T12 << 1462237014.69478989 Blacs Orbital Layouts (3843.79767s) stopped
T12 >> 1462237014.69483495 Calculate projections (124.06342s) started
T12 << 1462237016.39869404 Calculate projections (125.76728s) stopped
T12 << 1462237016.39914489 LCAO eigensolver (4556.24615s) stopped
T12 >> 1462237019.62472510 Density (1123.34657s) started
T12 >> 1462237019.62473989 Pseudo density (874.20397s) started
T12 >> 1462237019.62771297 Calculate density matrix (821.31472s) started
T12 << 1462237031.46393895 Calculate density matrix (833.15094s) stopped
T12 >> 1462237031.46398711 Construct density (51.51282s) started
T12 << 1462237032.20773101 Construct density (52.25657s) stopped
T12 >> 1462237032.22179389 Symmetrize density (0.00560s) started
T12 << 1462237032.22185993 Symmetrize density (0.00566s) stopped
T12 << 1462237032.22398591 Pseudo density (886.80321s) stopped
T12 >> 1462237032.22404289 Atomic density matrices (218.27846s) started
T12 << 1462237035.37683105 Atomic density matrices (221.43125s) stopped
T12 >> 1462237035.37686300 Multipole moments (0.60090s) started
T12 << 1462237035.38652301 Multipole moments (0.61056s) stopped
T12 >> 1462237035.38654709 Normalize (0.49095s) started
T12 << 1462237035.39405394 Normalize (0.49846s) stopped
T12 >> 1462237035.39410591 Mix (29.76717s) started
T12 << 1462237035.85619402 Mix (30.22925s) stopped
T12 << 1462237035.85624194 Density (1139.57808s) stopped
T12 >> 1462237035.85626793 Hamiltonian (3190.90036s) started
T12 >> 1462237035.85628200 vbar (1.90188s) started
T12 << 1462237035.89186692 vbar (1.93746s) stopped
T12 >> 1462237035.89203501 XC 3D grid (1949.74961s) started
T12 >> 1462237036.36639690 van der Waals (1883.63052s) started
T12 >> 1462237036.47582507 semilocal (398.24874s) started
T12 << 1462237042.28627110 semilocal (404.05918s) stopped
T12 >> 1462237042.36702204 redistribute (196.77131s) started
T12 << 1462237043.37375998 redistribute (197.77804s) stopped
T12 >> 1462237043.37383294 libvdwxc nonlocal (1275.50122s) started
T12 << 1462237061.93781090 libvdwxc nonlocal (1294.06520s) stopped
T12 >> 1462237061.93787193 redistribute (197.77810s) started
T12 << 1462237063.75555396 redistribute (199.59578s) stopped
T12 << 1462237063.75735402 van der Waals (1911.02148s) stopped
T12 << 1462237064.20866203 XC 3D grid (1978.06624s) stopped
T12 >> 1462237064.20871902 Poisson (571.83289s) started
T12 << 1462237069.97680902 Poisson (577.60098s) stopped
T12 >> 1462237069.97688389 Hartree integrate/restrict (25.35898s) started
T12 << 1462237070.01890302 Hartree integrate/restrict (25.40100s) stopped
T12 >> 1462237070.01895595 Hartree integrate/restrict (25.40104s) started
T12 << 1462237070.33809209 Hartree integrate/restrict (25.72017s) stopped
T12 >> 1462237070.33842611 Atomic (165.51298s) started
T12 >> 1462237070.34003496 XC Correction (0.00224s) started
T12 << 1462237070.34005094 XC Correction (0.00226s) stopped
T12 << 1462237072.70970798 Atomic (167.88426s) stopped
T12 >> 1462237072.70979500 Communicate (476.50504s) started
T12 << 1462237079.52663112 Communicate (483.32188s) stopped
T12 << 1462237079.52665901 Hamiltonian (3234.57075s) stopped
T12 >> 1462237079.52667999 LCAO eigensolver (4556.24617s) started
T12 >> 1462237079.52669191 Potential matrix (70.51148s) started
T12 << 1462237080.48375201 Potential matrix (71.46854s) stopped
T12 >> 1462237080.48382807 DistributedAtomicCorrection (27.55350s) started
T12 << 1462237080.85690188 DistributedAtomicCorrection (27.92657s) stopped
T12 >> 1462237080.85695291 Distribute overlap matrix (488.25898s) started
T12 >> 1462237080.85697389 blocked summation (276.97181s) started
T12 << 1462237084.76995301 blocked summation (280.88479s) stopped
T12 >> 1462237084.77903700 Scalapack redistribute (210.57777s) started
T12 << 1462237087.63830090 Scalapack redistribute (213.43703s) stopped
T12 << 1462237087.63840389 Distribute overlap matrix (495.04043s) stopped
T12 >> 1462237087.64255404 Blacs Orbital Layouts (3843.79769s) started
T12 >> 1462237087.65087795 General diagonalize (3828.07817s) started
T12 << 1462237141.29322195 General diagonalize (3881.72051s) stopped
T12 >> 1462237141.29327202 Redistribute coefs (0.58491s) started
T12 << 1462237141.30133700 Redistribute coefs (0.59298s) stopped
T12 >> 1462237141.30138302 Send coefs to domains (14.48713s) started
T12 << 1462237141.40244889 Send coefs to domains (14.58820s) stopped
T12 << 1462237141.40291309 Blacs Orbital Layouts (3897.55805s) stopped
T12 >> 1462237141.40296507 Calculate projections (125.76733s) started
T12 << 1462237143.11886191 Calculate projections (127.48323s) stopped
T12 << 1462237143.11909199 LCAO eigensolver (4619.83858s) stopped
T12 >> 1462237146.30940008 Density (1139.57810s) started
T12 >> 1462237146.30941510 Pseudo density (886.80326s) started
T12 >> 1462237146.31233692 Calculate density matrix (833.15098s) started
T12 << 1462237158.18398809 Calculate density matrix (845.02263s) stopped
T12 >> 1462237158.18404198 Construct density (52.25662s) started
T12 << 1462237158.92846394 Construct density (53.00104s) stopped
T12 >> 1462237158.94511199 Symmetrize density (0.00570s) started
T12 << 1462237158.94518900 Symmetrize density (0.00578s) stopped
T12 << 1462237158.94763589 Pseudo density (899.44148s) stopped
T12 >> 1462237158.94770598 Atomic density matrices (221.43127s) started
T12 << 1462237162.14120889 Atomic density matrices (224.62478s) stopped
T12 >> 1462237162.14124489 Multipole moments (0.61057s) started
T12 << 1462237162.15023398 Multipole moments (0.61956s) stopped
T12 >> 1462237162.15025902 Normalize (0.49850s) started
T12 << 1462237162.15802002 Normalize (0.50626s) stopped
T12 >> 1462237162.15806794 Mix (30.22930s) started
T12 << 1462237162.64109111 Mix (30.71232s) stopped
T12 << 1462237162.64115000 Density (1155.90985s) stopped
T12 >> 1462237162.64117599 Hamiltonian (3234.57076s) started
T12 >> 1462237162.64119101 vbar (1.93756s) started
T12 << 1462237162.66982603 vbar (1.96620s) stopped
T12 >> 1462237162.66996288 XC 3D grid (1978.06629s) started
T12 >> 1462237163.11223888 van der Waals (1911.02151s) started
T12 >> 1462237163.22346997 semilocal (404.05926s) started
T12 << 1462237168.98947096 semilocal (409.82526s) stopped
T12 >> 1462237169.06565189 redistribute (199.59582s) started
T12 << 1462237170.07967496 redistribute (200.60984s) stopped
T12 >> 1462237170.07972002 libvdwxc nonlocal (1294.06524s) started
T12 << 1462237188.53880906 libvdwxc nonlocal (1312.52433s) stopped
T12 >> 1462237188.53887391 redistribute (200.60987s) started
T12 << 1462237190.19593501 redistribute (202.26694s) stopped
T12 << 1462237190.19709206 van der Waals (1938.10636s) stopped
T12 << 1462237190.65177798 XC 3D grid (2006.04810s) stopped
T12 >> 1462237190.65181994 Poisson (577.60103s) started
T12 << 1462237196.43459201 Poisson (583.38381s) stopped
T12 >> 1462237196.43467093 Hartree integrate/restrict (25.72020s) started
T12 << 1462237196.47990894 Hartree integrate/restrict (25.76544s) stopped
T12 >> 1462237196.47995400 Hartree integrate/restrict (25.76547s) started
T12 << 1462237196.78671408 Hartree integrate/restrict (26.07223s) stopped
T12 >> 1462237196.78705907 Atomic (167.88428s) started
T12 >> 1462237196.78873491 XC Correction (0.00227s) started
T12 << 1462237196.78876090 XC Correction (0.00230s) stopped
T12 << 1462237199.16251397 Atomic (170.25974s) stopped
T12 >> 1462237199.16259098 Communicate (483.32190s) started
T12 << 1462237205.96543694 Communicate (490.12474s) stopped
T12 << 1462237205.96546602 Hamiltonian (3277.89505s) stopped
T12 >> 1462237205.96548796 LCAO eigensolver (4619.83860s) started
T12 >> 1462237205.96550107 Potential matrix (71.46858s) started
T12 << 1462237206.92722702 Potential matrix (72.43031s) stopped
T12 >> 1462237206.92729712 DistributedAtomicCorrection (27.92661s) started
T12 << 1462237207.29749393 DistributedAtomicCorrection (28.29681s) stopped
T12 >> 1462237207.29754305 Distribute overlap matrix (495.04044s) started
T12 >> 1462237207.29756403 blocked summation (280.88482s) started
T12 << 1462237211.16710091 blocked summation (284.75436s) stopped
T12 >> 1462237211.17714596 Scalapack redistribute (213.43709s) started
T12 << 1462237214.22225094 Scalapack redistribute (216.48220s) stopped
T12 << 1462237214.22235703 Distribute overlap matrix (501.96526s) stopped
T12 >> 1462237214.22641206 Blacs Orbital Layouts (3897.55807s) started
T12 >> 1462237214.23483109 General diagonalize (3881.72055s) started
T12 << 1462237266.99787903 General diagonalize (3934.48360s) stopped
T12 >> 1462237266.99792504 Redistribute coefs (0.59301s) started
T12 << 1462237267.00503206 Redistribute coefs (0.60012s) stopped
T12 >> 1462237267.00507307 Send coefs to domains (14.58824s) started
T12 << 1462237267.09576607 Send coefs to domains (14.67893s) stopped
T12 << 1462237267.09611702 Blacs Orbital Layouts (3950.42777s) stopped
T12 >> 1462237267.09616303 Calculate projections (127.48328s) started
T12 << 1462237268.79775310 Calculate projections (129.18487s) stopped
T12 << 1462237268.79810405 LCAO eigensolver (4682.67121s) stopped
T12 >> 1462237272.00419688 Density (1155.90986s) started
T12 >> 1462237272.00421190 Pseudo density (899.44153s) started
T12 >> 1462237272.00684595 Calculate density matrix (845.02266s) started
T12 << 1462237283.73154211 Calculate density matrix (856.74736s) stopped
T12 >> 1462237283.73159099 Construct density (53.00110s) started
T12 << 1462237284.47503400 Construct density (53.74454s) stopped
T12 >> 1462237284.48938203 Symmetrize density (0.00580s) started
T12 << 1462237284.48944497 Symmetrize density (0.00586s) stopped
T12 << 1462237284.49152398 Pseudo density (911.92884s) stopped
T12 >> 1462237284.49157906 Atomic density matrices (224.62480s) started
T12 << 1462237287.63193107 Atomic density matrices (227.76516s) stopped
T12 >> 1462237287.63196301 Multipole moments (0.61958s) started
T12 << 1462237287.64150691 Multipole moments (0.62912s) stopped
T12 >> 1462237287.64153099 Normalize (0.50629s) started
T12 << 1462237287.64883494 Normalize (0.51360s) stopped
T12 >> 1462237287.64888310 Mix (30.71238s) started
T12 << 1462237288.08682895 Mix (31.15033s) stopped
T12 << 1462237288.08686209 Density (1171.99253s) stopped
T12 >> 1462237288.08688998 Hamiltonian (3277.89507s) started
T12 >> 1462237288.08690596 vbar (1.96628s) started
T12 << 1462237288.12261605 vbar (2.00199s) stopped
T12 >> 1462237288.12275290 XC 3D grid (2006.04814s) started
T12 >> 1462237288.58349490 van der Waals (1938.10639s) started
T12 >> 1462237288.69275498 semilocal (409.82533s) started
T12 << 1462237294.50050712 semilocal (415.63308s) stopped
T12 >> 1462237294.57641506 redistribute (202.26697s) started
T12 << 1462237295.57195091 redistribute (203.26251s) stopped
T12 >> 1462237295.57199788 libvdwxc nonlocal (1312.52438s) started
T12 << 1462237313.89124298 libvdwxc nonlocal (1330.84363s) stopped
T12 >> 1462237313.89130497 redistribute (203.26254s) started
T12 << 1462237315.58977294 redistribute (204.96101s) stopped
T12 << 1462237315.59116292 van der Waals (1965.11406s) stopped
T12 << 1462237316.04502296 XC 3D grid (2033.97041s) stopped
T12 >> 1462237316.04506493 Poisson (583.38386s) started
T12 << 1462237321.76456189 Poisson (589.10336s) stopped
T12 >> 1462237321.76463103 Hartree integrate/restrict (26.07226s) started
T12 << 1462237321.80880690 Hartree integrate/restrict (26.11644s) stopped
T12 >> 1462237321.80884504 Hartree integrate/restrict (26.11646s) started
T12 << 1462237322.11412096 Hartree integrate/restrict (26.42174s) stopped
T12 >> 1462237322.11448693 Atomic (170.25976s) started
T12 >> 1462237322.11614203 XC Correction (0.00231s) started
T12 << 1462237322.11617088 XC Correction (0.00234s) stopped
T12 << 1462237324.49276996 Atomic (172.63804s) stopped
T12 >> 1462237324.49285197 Communicate (490.12476s) started
T12 << 1462237331.24714804 Communicate (496.87906s) stopped
T12 << 1462237331.24717402 Hamiltonian (3321.05535s) stopped
T12 >> 1462237331.24719501 LCAO eigensolver (4682.67126s) started
T12 >> 1462237331.24720812 Potential matrix (72.43035s) started
T12 << 1462237332.19736600 Potential matrix (73.38051s) stopped
T12 >> 1462237332.19743705 DistributedAtomicCorrection (28.29685s) started
T12 << 1462237332.56517196 DistributedAtomicCorrection (28.66458s) stopped
T12 >> 1462237332.56522107 Distribute overlap matrix (501.96527s) started
T12 >> 1462237332.56524301 blocked summation (284.75439s) started
T12 << 1462237336.42782307 blocked summation (288.61697s) stopped
T12 >> 1462237336.43770909 Scalapack redistribute (216.48226s) started
T12 << 1462237339.48680902 Scalapack redistribute (219.53136s) stopped
T12 << 1462237339.48691106 Distribute overlap matrix (508.88696s) stopped
T12 >> 1462237339.49099493 Blacs Orbital Layouts (3950.42779s) started
T12 >> 1462237339.49969602 General diagonalize (3934.48364s) started
T12 << 1462237392.37396693 General diagonalize (3987.35791s) stopped
T12 >> 1462237392.37402606 Redistribute coefs (0.60015s) started
T12 << 1462237392.38224506 Redistribute coefs (0.60837s) stopped
T12 >> 1462237392.38228989 Send coefs to domains (14.67896s) started
T12 << 1462237392.48677993 Send coefs to domains (14.78345s) stopped
T12 << 1462237392.48745894 Blacs Orbital Layouts (4003.42426s) stopped
T12 >> 1462237392.48751497 Calculate projections (129.18492s) started
T12 << 1462237394.20477390 Calculate projections (130.90218s) stopped
T12 << 1462237394.20525503 LCAO eigensolver (4745.62932s) stopped
T12 >> 1462237397.40645003 Density (1171.99254s) started
T12 >> 1462237397.40646601 Pseudo density (911.92889s) started
T12 >> 1462237397.40920901 Calculate density matrix (856.74739s) started
T12 << 1462237409.27269602 Calculate density matrix (868.61088s) stopped
T12 >> 1462237409.27275491 Construct density (53.74459s) started
T12 << 1462237410.01770592 Construct density (54.48954s) stopped
T12 >> 1462237410.03502107 Symmetrize density (0.00588s) started
T12 << 1462237410.03509593 Symmetrize density (0.00595s) stopped
T12 << 1462237410.03753591 Pseudo density (924.55996s) stopped
T12 >> 1462237410.03760290 Atomic density matrices (227.76518s) started
T12 << 1462237413.17772889 Atomic density matrices (230.90531s) stopped
T12 >> 1462237413.17776704 Multipole moments (0.62914s) started
T12 << 1462237413.18716693 Multipole moments (0.63854s) stopped
T12 >> 1462237413.18719292 Normalize (0.51363s) started
T12 << 1462237413.19494605 Normalize (0.52138s) stopped
T12 >> 1462237413.19499302 Mix (31.15036s) started
T12 << 1462237413.62667394 Mix (31.58204s) stopped
T12 << 1462237413.62670994 Density (1188.21280s) stopped
T12 >> 1462237413.62673807 Hamiltonian (3321.05536s) started
T12 >> 1462237413.62675405 vbar (2.00207s) started
T12 << 1462237413.66250801 vbar (2.03782s) stopped
T12 >> 1462237413.66265988 XC 3D grid (2033.97044s) started
T12 >> 1462237414.14057994 van der Waals (1965.11409s) started
T12 >> 1462237414.25287294 semilocal (415.63316s) started
T12 << 1462237420.06208396 semilocal (421.44237s) stopped
T12 >> 1462237420.14513993 redistribute (204.96104s) started
T12 << 1462237421.09051394 redistribute (205.90642s) stopped
T12 >> 1462237421.09058690 libvdwxc nonlocal (1330.84367s) started
T12 << 1462237438.84134197 libvdwxc nonlocal (1348.59443s) stopped
T12 >> 1462237438.84143400 redistribute (205.90647s) started
T12 << 1462237440.84377599 redistribute (207.90882s) stopped
T12 << 1462237440.84487605 van der Waals (1991.81838s) stopped
T12 << 1462237441.30222011 XC 3D grid (2061.61000s) stopped
T12 >> 1462237441.30227995 Poisson (589.10341s) started
T12 << 1462237445.59136009 Poisson (593.39249s) stopped
T12 >> 1462237445.59143209 Hartree integrate/restrict (26.42179s) started
T12 << 1462237445.62904000 Hartree integrate/restrict (26.45940s) stopped
T12 >> 1462237445.62912512 Hartree integrate/restrict (26.45946s) started
T12 << 1462237445.94534993 Hartree integrate/restrict (26.77568s) stopped
T12 >> 1462237445.94568205 Atomic (172.63807s) started
T12 >> 1462237445.94720602 XC Correction (0.00235s) started
T12 << 1462237445.94722104 XC Correction (0.00236s) stopped
T12 << 1462237448.31385708 Atomic (175.00624s) stopped
T12 >> 1462237448.31394410 Communicate (496.87907s) started
T12 << 1462237455.09207106 Communicate (503.65720s) stopped
T12 << 1462237455.09211397 Hamiltonian (3362.52074s) stopped
T12 >> 1462237455.09213996 LCAO eigensolver (4745.62934s) started
T12 >> 1462237455.09215307 Potential matrix (73.38055s) started
T12 << 1462237456.04198408 Potential matrix (74.33038s) stopped
T12 >> 1462237456.04207993 DistributedAtomicCorrection (28.66462s) started
T12 << 1462237456.41838694 DistributedAtomicCorrection (29.04093s) stopped
T12 >> 1462237456.41843891 Distribute overlap matrix (508.88697s) started
T12 >> 1462237456.41846395 blocked summation (288.61700s) started
T12 << 1462237460.36146212 blocked summation (292.56000s) stopped
T12 >> 1462237460.37138009 Scalapack redistribute (219.53142s) started
T12 << 1462237463.31863499 Scalapack redistribute (222.47867s) stopped
T12 << 1462237463.31872106 Distribute overlap matrix (515.78725s) stopped
T12 >> 1462237463.32326889 Blacs Orbital Layouts (4003.42427s) started
T12 >> 1462237463.33209109 General diagonalize (3987.35795s) started
T12 << 1462237516.14173794 General diagonalize (4040.16760s) stopped
T12 >> 1462237516.14182806 Redistribute coefs (0.60841s) started
T12 << 1462237516.14973307 Redistribute coefs (0.61631s) stopped
T12 >> 1462237516.14977694 Send coefs to domains (14.78349s) started
T12 << 1462237516.27127194 Send coefs to domains (14.90499s) stopped
T12 << 1462237516.27163911 Blacs Orbital Layouts (4056.37265s) stopped
T12 >> 1462237516.27169299 Calculate projections (130.90224s) started
T12 << 1462237517.98788095 Calculate projections (132.61843s) stopped
T12 << 1462237517.98823094 LCAO eigensolver (4808.52543s) stopped
T12 >> 1462237521.17670488 Density (1188.21281s) started
T12 >> 1462237521.17672110 Pseudo density (924.56001s) started
T12 >> 1462237521.17956901 Calculate density matrix (868.61092s) started
T12 << 1462237533.11917591 Calculate density matrix (880.55052s) stopped
T12 >> 1462237533.11923194 Construct density (54.48960s) started
T12 << 1462237533.86520791 Construct density (55.23558s) stopped
T12 >> 1462237533.88179588 Symmetrize density (0.00597s) started
T12 << 1462237533.88187408 Symmetrize density (0.00605s) stopped
T12 << 1462237533.88432503 Pseudo density (937.26762s) stopped
T12 >> 1462237533.88439298 Atomic density matrices (230.90534s) started
T12 << 1462237537.01283503 Atomic density matrices (234.03378s) stopped
T12 >> 1462237537.01287293 Multipole moments (0.63856s) started
T12 << 1462237537.02228689 Multipole moments (0.64797s) stopped
T12 >> 1462237537.02231193 Normalize (0.52141s) started
T12 << 1462237537.02977300 Normalize (0.52888s) stopped
T12 >> 1462237537.02981806 Mix (31.58207s) started
T12 << 1462237537.46016192 Mix (32.01242s) stopped
T12 << 1462237537.46022105 Density (1204.49633s) stopped
T12 >> 1462237537.46025300 Hamiltonian (3362.52075s) started
T12 >> 1462237537.46026993 vbar (2.03791s) started
T12 << 1462237537.49236107 vbar (2.07000s) stopped
T12 >> 1462237537.49252510 XC 3D grid (2061.61005s) started
T12 >> 1462237537.95339704 van der Waals (1991.81841s) started
T12 >> 1462237538.06740689 semilocal (421.44243s) started
T12 << 1462237543.87364292 semilocal (427.24867s) stopped
T12 >> 1462237543.95261002 redistribute (207.90886s) started
T12 << 1462237544.97245312 redistribute (208.92870s) stopped
T12 >> 1462237544.97250509 libvdwxc nonlocal (1348.59449s) started
T12 << 1462237562.96778393 libvdwxc nonlocal (1366.58977s) stopped
T12 >> 1462237562.96789694 redistribute (208.92874s) started
T12 << 1462237564.98165488 redistribute (210.94250s) stopped
T12 << 1462237564.98284101 van der Waals (2018.84785s) stopped
T12 << 1462237565.43652296 XC 3D grid (2089.55404s) stopped
T12 >> 1462237565.43656993 Poisson (593.39254s) started
T12 << 1462237569.75013399 Poisson (597.70611s) stopped
T12 >> 1462237569.75021005 Hartree integrate/restrict (26.77572s) started
T12 << 1462237569.78811312 Hartree integrate/restrict (26.81362s) stopped
T12 >> 1462237569.78825212 Hartree integrate/restrict (26.81372s) started
T12 << 1462237570.10405993 Hartree integrate/restrict (27.12953s) stopped
T12 >> 1462237570.10443807 Atomic (175.00627s) started
T12 >> 1462237570.10608506 XC Correction (0.00237s) started
T12 << 1462237570.10610008 XC Correction (0.00239s) stopped
T12 << 1462237572.48080802 Atomic (177.38264s) stopped
T12 >> 1462237572.48089910 Communicate (503.65723s) started
T12 << 1462237579.27924609 Communicate (510.45558s) stopped
T12 << 1462237579.27929091 Hamiltonian (3404.33979s) stopped
T12 >> 1462237579.27931809 LCAO eigensolver (4808.52545s) started
T12 >> 1462237579.27933097 Potential matrix (74.33043s) started
T12 << 1462237580.23930001 Potential matrix (75.29040s) stopped
T12 >> 1462237580.23939610 DistributedAtomicCorrection (29.04096s) started
T12 << 1462237580.61776590 DistributedAtomicCorrection (29.41933s) stopped
T12 >> 1462237580.61781693 Distribute overlap matrix (515.78727s) started
T12 >> 1462237580.61784506 blocked summation (292.56003s) started
T12 << 1462237584.65319896 blocked summation (296.59538s) stopped
T12 >> 1462237584.66296101 Scalapack redistribute (222.47871s) started
T12 << 1462237587.56035304 Scalapack redistribute (225.37610s) stopped
T12 << 1462237587.56048608 Distribute overlap matrix (522.72994s) stopped
T12 >> 1462237587.56519508 Blacs Orbital Layouts (4056.37267s) started
T12 >> 1462237587.57362294 General diagonalize (4040.16767s) started
T12 << 1462237640.44489098 General diagonalize (4093.03894s) stopped
T12 >> 1462237640.44499898 Redistribute coefs (0.61635s) started
T12 << 1462237640.45331311 Redistribute coefs (0.62466s) stopped
T12 >> 1462237640.45339990 Send coefs to domains (14.90502s) started
T12 << 1462237640.65940309 Send coefs to domains (15.11102s) stopped
T12 << 1462237640.65984702 Blacs Orbital Layouts (4109.46732s) stopped
T12 >> 1462237640.65989494 Calculate projections (132.61848s) started
T12 << 1462237642.36360312 Calculate projections (134.32219s) stopped
T12 << 1462237642.36407399 LCAO eigensolver (4871.61020s) stopped
T12 >> 1462237645.58226895 Density (1204.49634s) started
T12 >> 1462237645.58228397 Pseudo density (937.26767s) started
T12 >> 1462237645.58489490 Calculate density matrix (880.55056s) started
T12 << 1462237657.33422804 Calculate density matrix (892.29989s) stopped
T12 >> 1462237657.33427596 Construct density (55.23564s) started
T12 << 1462237658.07938290 Construct density (55.98074s) stopped
T12 >> 1462237658.09425998 Symmetrize density (0.00607s) started
T12 << 1462237658.09432006 Symmetrize density (0.00613s) stopped
T12 << 1462237658.09642291 Pseudo density (949.78181s) stopped
T12 >> 1462237658.09647894 Atomic density matrices (234.03381s) started
T12 << 1462237661.25528097 Atomic density matrices (237.19261s) stopped
T12 >> 1462237661.25531411 Multipole moments (0.64799s) started
T12 << 1462237661.26472998 Multipole moments (0.65740s) stopped
T12 >> 1462237661.26475310 Normalize (0.52891s) started
T12 << 1462237661.27218008 Normalize (0.53633s) stopped
T12 >> 1462237661.27222300 Mix (32.01248s) started
T12 << 1462237661.70875692 Mix (32.44901s) stopped
T12 << 1462237661.70879292 Density (1220.62287s) stopped
T12 >> 1462237661.70881796 Hamiltonian (3404.33980s) started
T12 >> 1462237661.70883203 vbar (2.07009s) started
T12 << 1462237661.73340702 vbar (2.09467s) stopped
T12 >> 1462237661.73353791 XC 3D grid (2089.55408s) started
T12 >> 1462237662.23696589 van der Waals (2018.84788s) started
T12 >> 1462237662.34690690 semilocal (427.24873s) started
T12 << 1462237668.18803310 semilocal (433.08986s) stopped
T12 >> 1462237668.26295400 redistribute (210.94254s) started
T12 << 1462237669.20052004 redistribute (211.88011s) stopped
T12 >> 1462237669.20056701 libvdwxc nonlocal (1366.58986s) started
T12 << 1462237687.81512308 libvdwxc nonlocal (1385.20441s) stopped
T12 >> 1462237687.81517100 redistribute (211.88014s) started
T12 << 1462237689.50015593 redistribute (213.56512s) stopped
T12 << 1462237689.50134110 van der Waals (2046.11225s) stopped
T12 << 1462237689.95745897 XC 3D grid (2117.77800s) stopped
T12 >> 1462237689.95750189 Poisson (597.70616s) started
T12 << 1462237694.31730795 Poisson (602.06597s) stopped
T12 >> 1462237694.31739211 Hartree integrate/restrict (27.12958s) started
T12 << 1462237694.36610198 Hartree integrate/restrict (27.17829s) stopped
T12 >> 1462237694.36614490 Hartree integrate/restrict (27.17832s) started
T12 << 1462237694.67427397 Hartree integrate/restrict (27.48645s) stopped
T12 >> 1462237694.67459202 Atomic (177.38267s) started
T12 >> 1462237694.67605495 XC Correction (0.00240s) started
T12 << 1462237694.67606902 XC Correction (0.00241s) stopped
T12 << 1462237697.04725003 Atomic (179.75533s) stopped
T12 >> 1462237697.04733109 Communicate (510.45561s) started
T12 << 1462237703.78521204 Communicate (517.19349s) stopped
T12 << 1462237703.78524303 Hamiltonian (3446.41623s) stopped
T12 >> 1462237703.78526711 LCAO eigensolver (4871.61022s) started
T12 >> 1462237703.78527904 Potential matrix (75.29045s) started
T12 << 1462237704.74823809 Potential matrix (76.25341s) stopped
T12 >> 1462237704.74832201 DistributedAtomicCorrection (29.41937s) started
T12 << 1462237705.12165403 DistributedAtomicCorrection (29.79270s) stopped
T12 >> 1462237705.12170410 Distribute overlap matrix (522.72995s) started
T12 >> 1462237705.12175488 blocked summation (296.59544s) started
T12 << 1462237709.00283599 blocked summation (300.47652s) stopped
T12 >> 1462237709.01237702 Scalapack redistribute (225.37618s) started
T12 << 1462237711.86957407 Scalapack redistribute (228.23337s) stopped
T12 << 1462237711.86967611 Distribute overlap matrix (529.47792s) stopped
T12 >> 1462237711.87402892 Blacs Orbital Layouts (4109.46734s) started
T12 >> 1462237711.88248491 General diagonalize (4093.03902s) started
T12 << 1462237764.78619409 General diagonalize (4145.94273s) stopped
T12 >> 1462237764.78625298 Redistribute coefs (0.62472s) started
T12 << 1462237764.79491806 Redistribute coefs (0.63338s) stopped
T12 >> 1462237764.79498100 Send coefs to domains (15.11106s) started
T12 << 1462237764.94466710 Send coefs to domains (15.26075s) stopped
T12 << 1462237764.94530511 Blacs Orbital Layouts (4162.53861s) stopped
T12 >> 1462237764.94536090 Calculate projections (134.32224s) started
T12 << 1462237766.66034603 Calculate projections (136.03722s) stopped
T12 << 1462237766.66077304 LCAO eigensolver (4934.48573s) stopped
T12 >> 1462237769.87173891 Density (1220.62288s) started
T12 >> 1462237769.87175488 Pseudo density (949.78185s) started
T12 >> 1462237769.87462902 Calculate density matrix (892.29992s) started
T12 << 1462237781.69023108 Calculate density matrix (904.11553s) stopped
T12 >> 1462237781.69028997 Construct density (55.98079s) started
T12 << 1462237782.43466401 Construct density (56.72517s) stopped
T12 >> 1462237782.45158100 Symmetrize density (0.00615s) started
T12 << 1462237782.45165300 Symmetrize density (0.00622s) stopped
T12 << 1462237782.45407796 Pseudo density (962.36418s) stopped
T12 >> 1462237782.45414495 Atomic density matrices (237.19264s) started
T12 << 1462237785.62097812 Atomic density matrices (240.35947s) stopped
T12 >> 1462237785.62101412 Multipole moments (0.65742s) started
T12 << 1462237785.62968802 Multipole moments (0.66609s) stopped
T12 >> 1462237785.62971306 Normalize (0.53637s) started
T12 << 1462237785.63727903 Normalize (0.54393s) stopped
T12 >> 1462237785.63732600 Mix (32.44905s) started
T12 << 1462237786.10006404 Mix (32.91178s) stopped
T12 << 1462237786.10010791 Density (1236.85125s) stopped
T12 >> 1462237786.10013294 Hamiltonian (3446.41624s) started
T12 >> 1462237786.10014701 vbar (2.09474s) started
T12 << 1462237786.12624598 vbar (2.12084s) stopped
T12 >> 1462237786.12641501 XC 3D grid (2117.77803s) started
T12 >> 1462237786.60819197 van der Waals (2046.11229s) started
T12 >> 1462237786.72305489 semilocal (433.08993s) started
T12 << 1462237792.46551609 semilocal (438.83239s) stopped
T12 >> 1462237792.54069901 redistribute (213.56516s) started
T12 << 1462237793.57187295 redistribute (214.59634s) stopped
T12 >> 1462237793.57192612 libvdwxc nonlocal (1385.20444s) started
T12 << 1462237811.63175392 libvdwxc nonlocal (1403.26427s) stopped
T12 >> 1462237811.63186097 redistribute (214.59637s) started
T12 << 1462237813.74762392 redistribute (216.71214s) stopped
T12 << 1462237813.74893403 van der Waals (2073.25303s) stopped
T12 << 1462237814.21820688 XC 3D grid (2145.86982s) stopped
T12 >> 1462237814.21827412 Poisson (602.06603s) started
T12 << 1462237818.59894705 Poisson (606.44670s) stopped
T12 >> 1462237818.59902906 Hartree integrate/restrict (27.48648s) started
T12 << 1462237818.63667011 Hartree integrate/restrict (27.52412s) stopped
T12 >> 1462237818.63681698 Hartree integrate/restrict (27.52422s) started
T12 << 1462237818.96101999 Hartree integrate/restrict (27.84843s) stopped
T12 >> 1462237818.96138096 Atomic (179.75535s) started
T12 >> 1462237818.96297598 XC Correction (0.00242s) started
T12 << 1462237818.96299100 XC Correction (0.00244s) stopped
T12 << 1462237821.33282804 Atomic (182.12680s) stopped
T12 >> 1462237821.33291411 Communicate (517.19351s) started
T12 << 1462237828.11219192 Communicate (523.97279s) stopped
T12 << 1462237828.11223197 Hamiltonian (3488.42834s) stopped
T12 >> 1462237828.11225700 LCAO eigensolver (4934.48575s) started
T12 >> 1462237828.11227012 Potential matrix (76.25346s) started
T12 << 1462237829.07621694 Potential matrix (77.21741s) stopped
T12 >> 1462237829.07629800 DistributedAtomicCorrection (29.79274s) started
T12 << 1462237829.45044708 DistributedAtomicCorrection (30.16689s) stopped
T12 >> 1462237829.45049810 Distribute overlap matrix (529.47794s) started
T12 >> 1462237829.45052195 blocked summation (300.47655s) started
T12 << 1462237833.43616009 blocked summation (304.46219s) stopped
T12 >> 1462237833.44643903 Scalapack redistribute (228.23343s) started
T12 << 1462237836.22437096 Scalapack redistribute (231.01136s) stopped
T12 << 1462237836.22452497 Distribute overlap matrix (536.25196s) stopped
T12 >> 1462237836.22960806 Blacs Orbital Layouts (4162.53863s) started
T12 >> 1462237836.23843408 General diagonalize (4145.94278s) started
T12 << 1462237889.21544003 General diagonalize (4198.91979s) stopped
T12 >> 1462237889.21553993 Redistribute coefs (0.63342s) started
T12 << 1462237889.22381711 Redistribute coefs (0.64169s) stopped
T12 >> 1462237889.22388697 Send coefs to domains (15.26079s) started
T12 << 1462237889.44117904 Send coefs to domains (15.47808s) stopped
T12 << 1462237889.44171596 Blacs Orbital Layouts (4215.75074s) stopped
T12 >> 1462237889.44177294 Calculate projections (136.03727s) started
T12 << 1462237891.15670109 Calculate projections (137.75220s) stopped
T12 << 1462237891.15706205 LCAO eigensolver (4997.53055s) stopped
T12 >> 1462237894.36560893 Density (1236.85126s) started
T12 >> 1462237894.36562490 Pseudo density (962.36423s) started
T12 >> 1462237894.36885500 Calculate density matrix (904.11556s) started
T12 << 1462237906.14239597 Calculate density matrix (915.88910s) stopped
T12 >> 1462237906.14245391 Construct density (56.72523s) started
T12 << 1462237906.88677096 Construct density (57.46955s) stopped
T12 >> 1462237906.90284801 Symmetrize density (0.00624s) started
T12 << 1462237906.90291810 Symmetrize density (0.00631s) stopped
T12 << 1462237906.90532804 Pseudo density (974.90393s) stopped
T12 >> 1462237906.90539503 Atomic density matrices (240.35950s) started
T12 << 1462237910.11730194 Atomic density matrices (243.57141s) stopped
T12 >> 1462237910.11733794 Multipole moments (0.66611s) started
T12 << 1462237910.12677908 Multipole moments (0.67555s) stopped
T12 >> 1462237910.12680292 Normalize (0.54396s) started
T12 << 1462237910.13428211 Normalize (0.55144s) stopped
T12 >> 1462237910.13432693 Mix (32.91183s) started
T12 << 1462237910.56254196 Mix (33.34004s) stopped
T12 << 1462237910.56261396 Density (1253.04827s) stopped
T12 >> 1462237910.56264496 Hamiltonian (3488.42835s) started
T12 >> 1462237910.56266189 vbar (2.12094s) started
T12 << 1462237910.59384394 vbar (2.15212s) stopped
T12 >> 1462237910.59398890 XC 3D grid (2145.86988s) started
T12 >> 1462237911.06920791 van der Waals (2073.25307s) started
T12 >> 1462237911.18158293 semilocal (438.83247s) started
T12 << 1462237916.88140702 semilocal (444.53230s) stopped
T12 >> 1462237916.95865393 redistribute (216.71218s) started
T12 << 1462237918.02528691 redistribute (217.77882s) stopped
T12 >> 1462237918.02534604 libvdwxc nonlocal (1403.26433s) started
T12 << 1462237936.52723098 libvdwxc nonlocal (1421.76622s) stopped
T12 >> 1462237936.52732110 redistribute (217.77886s) started
T12 << 1462237938.72768998 redistribute (219.97923s) stopped
T12 << 1462237938.72907591 van der Waals (2100.91294s) stopped
T12 << 1462237939.18114996 XC 3D grid (2174.45704s) stopped
T12 >> 1462237939.18121600 Poisson (606.44676s) started
T12 << 1462237943.61293793 Poisson (610.87848s) stopped
T12 >> 1462237943.61308289 Hartree integrate/restrict (27.84848s) started
T12 << 1462237943.65050292 Hartree integrate/restrict (27.88590s) stopped
T12 >> 1462237943.65059495 Hartree integrate/restrict (27.88595s) started
T12 << 1462237943.98286104 Hartree integrate/restrict (28.21822s) stopped
T12 >> 1462237943.98321295 Atomic (182.12682s) started
T12 >> 1462237943.98478508 XC Correction (0.00245s) started
T12 << 1462237943.98480010 XC Correction (0.00247s) stopped
T12 << 1462237946.35203600 Atomic (184.49565s) stopped
T12 >> 1462237946.35214901 Communicate (523.97281s) started
T12 << 1462237953.12121701 Communicate (530.74188s) stopped
T12 << 1462237953.12125802 Hamiltonian (3530.98696s) stopped
T12 >> 1462237953.12128496 LCAO eigensolver (4997.53057s) started
T12 >> 1462237953.12129807 Potential matrix (77.21745s) started
T12 << 1462237954.08504295 Potential matrix (78.18120s) stopped
T12 >> 1462237954.08512306 DistributedAtomicCorrection (30.16693s) started
T12 << 1462237954.45521808 DistributedAtomicCorrection (30.53703s) stopped
T12 >> 1462237954.45526910 Distribute overlap matrix (536.25198s) started
T12 >> 1462237954.45529199 blocked summation (304.46222s) started
T12 << 1462237958.31863809 blocked summation (308.32557s) stopped
T12 >> 1462237958.32834101 Scalapack redistribute (231.01145s) started
T12 << 1462237961.32011890 Scalapack redistribute (234.00322s) stopped
T12 << 1462237961.32024193 Distribute overlap matrix (543.11695s) stopped
T12 >> 1462237961.32505012 Blacs Orbital Layouts (4215.75076s) started
T12 >> 1462237961.33363700 General diagonalize (4198.91987s) started
T12 << 1462238011.35191894 General diagonalize (4248.93815s) stopped
T12 >> 1462238011.35197592 Redistribute coefs (0.64173s) started
T12 << 1462238011.35981011 Redistribute coefs (0.64957s) stopped
T12 >> 1462238011.35987806 Send coefs to domains (15.47811s) started
T12 << 1462238012.06916690 Send coefs to domains (16.18740s) stopped
T12 << 1462238012.06958199 Blacs Orbital Layouts (4266.49529s) stopped
T12 >> 1462238012.06963706 Calculate projections (137.75225s) started
T12 << 1462238013.78630590 Calculate projections (139.46892s) stopped
T12 << 1462238013.78650689 LCAO eigensolver (5058.19579s) stopped
T12 >> 1462238016.99193692 Density (1253.04828s) started
T12 >> 1462238016.99195290 Pseudo density (974.90399s) started
T12 >> 1462238016.99456501 Calculate density matrix (915.88914s) started
T12 << 1462238028.77730799 Calculate density matrix (927.67188s) stopped
T12 >> 1462238028.77736497 Construct density (57.46960s) started
T12 << 1462238029.52273107 Construct density (58.21497s) stopped
T12 >> 1462238029.53917909 Symmetrize density (0.00633s) started
T12 << 1462238029.53924298 Symmetrize density (0.00639s) stopped
T12 << 1462238029.54166007 Pseudo density (987.45369s) stopped
T12 >> 1462238029.54172802 Atomic density matrices (243.57143s) started
T12 << 1462238032.72764206 Atomic density matrices (246.75735s) stopped
T12 >> 1462238032.72767901 Multipole moments (0.67557s) started
T12 << 1462238032.73715591 Multipole moments (0.68504s) stopped
T12 >> 1462238032.73717999 Normalize (0.55148s) started
T12 << 1462238032.74460912 Normalize (0.55890s) stopped
T12 >> 1462238032.74466205 Mix (33.34011s) started
T12 << 1462238033.17153502 Mix (33.76699s) stopped
T12 << 1462238033.17157793 Density (1269.22792s) stopped
T12 >> 1462238033.17160392 Hamiltonian (3530.98697s) started
T12 >> 1462238033.17161894 vbar (2.15221s) started
T12 << 1462238033.20366812 vbar (2.18426s) stopped
T12 >> 1462238033.20384693 XC 3D grid (2174.45709s) started
T12 >> 1462238033.68797588 van der Waals (2100.91298s) started
T12 >> 1462238033.79941297 semilocal (444.53242s) started
T12 << 1462238039.54554605 semilocal (450.27856s) stopped
T12 >> 1462238039.61842895 redistribute (219.97928s) started
T12 << 1462238040.63244796 redistribute (220.99330s) stopped
T12 >> 1462238040.63250589 libvdwxc nonlocal (1421.76628s) started
T12 << 1462238058.77149606 libvdwxc nonlocal (1439.90527s) stopped
T12 >> 1462238058.77158809 redistribute (220.99334s) started
T12 << 1462238060.90280104 redistribute (223.12455s) stopped
T12 << 1462238060.90428495 van der Waals (2128.12929s) stopped
T12 << 1462238061.35428500 XC 3D grid (2202.60753s) stopped
T12 >> 1462238061.35433412 Poisson (610.87859s) started
T12 << 1462238064.27970791 Poisson (613.80397s) stopped
T12 >> 1462238064.27980900 Hartree integrate/restrict (28.21827s) started
T12 << 1462238064.31738496 Hartree integrate/restrict (28.25585s) stopped
T12 >> 1462238064.31746507 Hartree integrate/restrict (28.25590s) started
T12 << 1462238064.64112306 Hartree integrate/restrict (28.57956s) stopped
T12 >> 1462238064.64150190 Atomic (184.49570s) started
T12 >> 1462238064.64323092 XC Correction (0.00248s) started
T12 << 1462238064.64324689 XC Correction (0.00249s) stopped
T12 << 1462238067.01542497 Atomic (186.86962s) stopped
T12 >> 1462238067.01550603 Communicate (530.74191s) started
T12 << 1462238073.77395892 Communicate (537.50036s) stopped
T12 << 1462238073.77399993 Hamiltonian (3571.58937s) stopped
T12 >> 1462238073.77402592 LCAO eigensolver (5058.19581s) started
T12 >> 1462238073.77403903 Potential matrix (78.18124s) started
T12 << 1462238074.72966290 Potential matrix (79.13687s) stopped
T12 >> 1462238074.72974491 DistributedAtomicCorrection (30.53706s) started
T12 << 1462238075.09820604 DistributedAtomicCorrection (30.90552s) stopped
T12 >> 1462238075.09825611 Distribute overlap matrix (543.11696s) started
T12 >> 1462238075.09828091 blocked summation (308.32560s) started
T12 << 1462238079.16208601 blocked summation (312.38941s) stopped
T12 >> 1462238079.17240500 Scalapack redistribute (234.00329s) started
T12 << 1462238082.15117693 Scalapack redistribute (236.98206s) stopped
T12 << 1462238082.15131998 Distribute overlap matrix (550.17003s) stopped
T12 >> 1462238082.15605593 Blacs Orbital Layouts (4266.49531s) started
T12 >> 1462238082.16441989 General diagonalize (4248.93819s) started
T12 << 1462238135.27328205 General diagonalize (4302.04705s) stopped
T12 >> 1462238135.27333903 Redistribute coefs (0.64961s) started
T12 << 1462238135.28117704 Redistribute coefs (0.65745s) stopped
T12 >> 1462238135.28124189 Send coefs to domains (16.18744s) started
T12 << 1462238135.38590193 Send coefs to domains (16.29210s) stopped
T12 << 1462238135.38627291 Blacs Orbital Layouts (4319.72553s) stopped
T12 >> 1462238135.38632798 Calculate projections (139.46897s) started
T12 << 1462238137.10223293 Calculate projections (141.18488s) stopped
T12 << 1462238137.10258794 LCAO eigensolver (5121.52438s) stopped
T12 << 1462238140.29145002 SCF-cycle (10223.91409s) stopped
T12 >> 1462238142.34863210 Force calculation (220.11932s) started
T12 >> 1462238142.34868789 LCAO forces (217.62424s) started
T12 >> 1462238142.34904289 Initial (0.00007s) started
T12 << 1462238142.34905505 Initial (0.00008s) stopped
T12 >> 1462238142.35492611 Get density matrix (115.67485s) started
T12 << 1462238151.46128392 Get density matrix (124.78121s) stopped
T12 >> 1462238151.46133399 Potential (17.77115s) started
T12 << 1462238157.45661211 Potential (23.76643s) stopped
T12 >> 1462238157.45668888 Get density matrix (124.78125s) started
T12 << 1462238187.49461889 Get density matrix (154.81918s) stopped
T12 >> 1462238187.49470401 Prepare TCI loop (6.29015s) started
T12 >> 1462238187.49515200 Get neighbors (5.62266s) started
T12 << 1462238189.45919704 Get neighbors (7.58670s) stopped
T12 >> 1462238189.45948005 broadcast dH (0.66549s) started
T12 << 1462238189.56842399 broadcast dH (0.77444s) stopped
T12 << 1462238189.56847000 Prepare TCI loop (8.36391s) stopped
T12 >> 1462238189.56849003 Not so complicated loop (0.34861s) started
T12 << 1462238189.68737888 Not so complicated loop (0.46750s) stopped
T12 >> 1462238189.80736899 Complicated loop (49.93103s) started
T12 << 1462238207.09970188 Complicated loop (67.22336s) stopped
T12 >> 1462238207.10073209 Wait for sum (27.27777s) started
T12 << 1462238215.95482898 Wait for sum (36.13187s) stopped
T12 << 1462238215.95486999 LCAO forces (291.23042s) stopped
T12 << 1462238216.78630090 Force calculation (294.55698s) stopped
T12 >> 1462238216.80383992 Initialization (449.46072s) started
T12 << 1462238216.80399990 Initialization (449.46088s) stopped
T12 >> 1462238216.80421305 Initialization (449.46090s) started
T12 << 1462238216.80433393 Initialization (449.46102s) stopped
T12 >> 1462238216.80446005 Initialization (449.46103s) started
T12 << 1462238216.80457711 Initialization (449.46115s) stopped
T12 >> 1462238237.12789702 Initialization (449.46117s) started
T12 >> 1462238237.23543096 Basic WFS set positions (0.31814s) started
T12 >> 1462238237.23545790 Redistribute (0.00332s) started
T12 << 1462238237.23561096 Redistribute (0.00347s) stopped
T12 << 1462238237.31580591 Basic WFS set positions (0.39852s) stopped
T12 >> 1462238237.31583500 Basis functions set positions (6.10465s) started
T12 << 1462238238.97553492 Basis functions set positions (7.76435s) stopped
T12 >> 1462238238.97632098 TCI: Calculate S, T, P (55.46315s) started
T12 << 1462238252.96086788 TCI: Calculate S, T, P (69.44770s) stopped
T12 >> 1462238252.96092606 blocked summation (59.99472s) started
T12 << 1462238268.90565205 blocked summation (75.93945s) stopped
T12 >> 1462238268.91612792 Scalapack redistribute (23.32548s) started
T12 << 1462238274.49950099 Scalapack redistribute (28.90885s) stopped
T12 >> 1462238274.50062108 blocked summation (75.93951s) started
T12 << 1462238275.69278407 blocked summation (77.13168s) stopped
T12 >> 1462238275.70269704 Scalapack redistribute (28.90892s) started
T12 << 1462238275.93201089 Scalapack redistribute (29.13823s) stopped
T12 >> 1462238275.93418694 Redistribute (0.00286s) started
T12 << 1462238275.93469095 Redistribute (0.00336s) stopped
T12 >> 1462238277.52466393 Redistribute (0.00338s) started
T12 << 1462238277.52510309 Redistribute (0.00382s) stopped
T12 >> 1462238277.55061197 LCAO WFS Initialize (292.35647s) started
T12 >> 1462238277.55065107 Density initialize from wavefunctions (43.04542s) started
T12 >> 1462238277.55432796 Calculate density matrix (30.44076s) started
T12 << 1462238287.37649107 Calculate density matrix (40.26292s) stopped
T12 >> 1462238287.37654710 Construct density (2.23647s) started
T12 << 1462238288.11655498 Construct density (2.97647s) stopped
T12 >> 1462238288.13434792 Symmetrize density (0.00024s) started
T12 << 1462238288.13441491 Symmetrize density (0.00030s) stopped
T12 << 1462238291.68816400 Density initialize from wavefunctions (57.18293s) stopped
T12 >> 1462238291.68850493 Hamiltonian (248.39713s) started
T12 >> 1462238291.68852592 vbar (0.12650s) started
T12 << 1462238291.72995090 vbar (0.16792s) stopped
T12 >> 1462238291.73008299 XC 3D grid (113.25397s) started
T12 >> 1462238292.19393802 van der Waals (109.46611s) started
T12 >> 1462238292.30502892 semilocal (23.24723s) started
T12 << 1462238298.06688809 semilocal (29.00909s) stopped
T12 >> 1462238298.14926696 redistribute (11.74738s) started
T12 << 1462238299.15323710 redistribute (12.75135s) stopped
T12 >> 1462238299.15328193 libvdwxc nonlocal (73.70621s) started
T12 << 1462238317.77576399 libvdwxc nonlocal (92.32869s) stopped
T12 >> 1462238317.77587509 redistribute (12.75138s) started
T12 << 1462238320.36445403 redistribute (15.33996s) stopped
T12 << 1462238320.36627197 van der Waals (137.63844s) stopped
T12 << 1462238320.82665205 XC 3D grid (142.35053s) stopped
T12 >> 1462238320.82670307 Poisson (88.29375s) started
T12 << 1462238337.92603588 Poisson (105.39308s) stopped
T12 >> 1462238337.92612195 Hartree integrate/restrict (1.48810s) started
T12 << 1462238337.96572804 Hartree integrate/restrict (1.52771s) stopped
T12 >> 1462238337.96588802 Hartree integrate/restrict (1.52783s) started
T12 << 1462238338.29396105 Hartree integrate/restrict (1.85590s) stopped
T12 >> 1462238338.29429293 Atomic (9.46679s) started
T12 >> 1462238338.29617906 XC Correction (0.00018s) started
T12 << 1462238338.29620504 XC Correction (0.00021s) stopped
T12 << 1462238340.61848688 Atomic (11.79098s) stopped
T12 >> 1462238340.61866808 Communicate (35.74111s) started
T12 << 1462238349.67681599 Communicate (44.79926s) stopped
T12 << 1462238349.67684889 Hamiltonian (306.38547s) stopped
T12 << 1462238349.67686296 LCAO WFS Initialize (364.48272s) stopped
T12 << 1462238349.68889904 Initialization (562.02217s) stopped
T12 >> 1462238349.71452403 SCF-cycle (10223.91412s) started
T12 >> 1462238349.71456289 LCAO eigensolver (5121.52439s) started
T12 >> 1462238349.71457601 Potential matrix (79.13691s) started
T12 << 1462238350.67206001 Potential matrix (80.09440s) stopped
T12 >> 1462238350.67215395 DistributedAtomicCorrection (30.90556s) started
T12 << 1462238351.04423499 DistributedAtomicCorrection (31.27764s) stopped
T12 >> 1462238351.04428911 Distribute overlap matrix (550.17004s) started
T12 >> 1462238351.04431295 blocked summation (312.38944s) started
T12 << 1462238354.89745212 blocked summation (316.24258s) stopped
T12 >> 1462238354.90713096 Scalapack redistribute (236.98214s) started
T12 << 1462238357.84681201 Scalapack redistribute (239.92182s) stopped
T12 << 1462238357.84692693 Distribute overlap matrix (556.97268s) stopped
T12 >> 1462238357.85139203 Blacs Orbital Layouts (4319.72555s) started
T12 >> 1462238357.86044192 General diagonalize (4302.04709s) started
T12 << 1462238412.62490511 General diagonalize (4356.81156s) stopped
T12 >> 1462238412.62494993 Redistribute coefs (0.65748s) started
T12 << 1462238412.63238311 Redistribute coefs (0.66491s) stopped
T12 >> 1462238412.63242602 Send coefs to domains (16.29214s) started
T12 << 1462238412.87971210 Send coefs to domains (16.53943s) stopped
T12 << 1462238412.88040090 Blacs Orbital Layouts (4374.75456s) stopped
T12 >> 1462238412.88042903 Calculate projections (141.18493s) started
T12 << 1462238414.58351898 Calculate projections (142.88802s) stopped
T12 << 1462238414.58401895 LCAO eigensolver (5186.39385s) stopped
T12 >> 1462238417.71137691 Density (1269.22793s) started
T12 >> 1462238417.71139097 Pseudo density (987.45375s) started
T12 >> 1462238417.71394610 Calculate density matrix (927.67192s) started
T12 << 1462238429.56404400 Calculate density matrix (939.52202s) stopped
T12 >> 1462238429.56409192 Construct density (58.21503s) started
T12 << 1462238430.30573797 Construct density (58.95667s) stopped
T12 >> 1462238430.31997204 Symmetrize density (0.00641s) started
T12 << 1462238430.32003903 Symmetrize density (0.00648s) stopped
T12 << 1462238430.32211804 Pseudo density (1000.06447s) stopped
T12 >> 1462238430.32217407 Atomic density matrices (246.75738s) started
T12 << 1462238433.52264905 Atomic density matrices (249.95785s) stopped
T12 >> 1462238433.52268004 Multipole moments (0.68506s) started
T12 << 1462238433.53153491 Multipole moments (0.69391s) stopped
T12 >> 1462238433.53156304 Normalize (0.55894s) started
T12 << 1462238433.53838801 Normalize (0.56577s) stopped
T12 >> 1462238433.53842998 Mix (33.76703s) started
T12 << 1462238433.85939908 Mix (34.08800s) stopped
T12 << 1462238433.85942888 Density (1285.37599s) stopped
T12 >> 1462238433.85945296 Hamiltonian (3571.58938s) started
T12 >> 1462238433.85946703 vbar (2.18435s) started
T12 << 1462238433.88347411 vbar (2.20836s) stopped
T12 >> 1462238433.88358998 XC 3D grid (2202.60757s) started
T12 >> 1462238434.43406892 van der Waals (2128.12933s) started
T12 >> 1462238434.54563308 semilocal (450.27867s) started
T12 << 1462238440.34875202 semilocal (456.08179s) stopped
T12 >> 1462238440.42598009 redistribute (223.12460s) started
T12 << 1462238441.41502190 redistribute (224.11364s) stopped
T12 >> 1462238441.41506410 libvdwxc nonlocal (1439.90534s) started
T12 << 1462238459.91210794 libvdwxc nonlocal (1458.40238s) stopped
T12 >> 1462238459.91217208 redistribute (224.11368s) started
T12 << 1462238461.61256909 redistribute (225.81407s) stopped
T12 << 1462238461.61393809 van der Waals (2155.30920s) stopped
T12 << 1462238462.08426404 XC 3D grid (2230.80824s) stopped
T12 >> 1462238462.08432508 Poisson (613.80404s) started
T12 << 1462238473.45403409 Poisson (625.17375s) stopped
T12 >> 1462238473.45415807 Hartree integrate/restrict (28.57961s) started
T12 << 1462238473.50317502 Hartree integrate/restrict (28.62863s) stopped
T12 >> 1462238473.50327492 Hartree integrate/restrict (28.62870s) started
T12 << 1462238473.81310606 Hartree integrate/restrict (28.93853s) stopped
T12 >> 1462238473.81346512 Atomic (186.86965s) started
T12 >> 1462238473.81519604 XC Correction (0.00250s) started
T12 << 1462238473.81521106 XC Correction (0.00252s) stopped
T12 << 1462238476.18747997 Atomic (189.24366s) stopped
T12 >> 1462238476.18765998 Communicate (537.50039s) started
T12 << 1462238483.43002391 Communicate (544.74275s) stopped
T12 << 1462238483.43005490 Hamiltonian (3621.15999s) stopped
T12 >> 1462238483.43007708 LCAO eigensolver (5186.39387s) started
T12 >> 1462238483.43008995 Potential matrix (80.09445s) started
T12 << 1462238484.39455795 Potential matrix (81.05892s) stopped
T12 >> 1462238484.39464808 DistributedAtomicCorrection (31.27768s) started
T12 << 1462238484.76345205 DistributedAtomicCorrection (31.64648s) stopped
T12 >> 1462238484.76349807 Distribute overlap matrix (556.97269s) started
T12 >> 1462238484.76352096 blocked summation (316.24264s) started
T12 << 1462238488.53400397 blocked summation (320.01312s) stopped
T12 >> 1462238488.54364705 Scalapack redistribute (239.92188s) started
T12 << 1462238491.60845399 Scalapack redistribute (242.98669s) stopped
T12 << 1462238491.60853601 Distribute overlap matrix (563.81773s) stopped
T12 >> 1462238491.61310601 Blacs Orbital Layouts (4374.75458s) started
T12 >> 1462238491.62237597 General diagonalize (4356.81159s) started
T12 << 1462238542.75498104 General diagonalize (4407.94420s) stopped
T12 >> 1462238542.75502610 Redistribute coefs (0.66495s) started
T12 << 1462238542.76254201 Redistribute coefs (0.67246s) stopped
T12 >> 1462238542.76263189 Send coefs to domains (16.53946s) started
T12 << 1462238542.96434808 Send coefs to domains (16.74118s) stopped
T12 << 1462238542.96487498 Blacs Orbital Layouts (4426.10635s) stopped
T12 >> 1462238542.96490407 Calculate projections (142.88807s) started
T12 << 1462238544.66788912 Calculate projections (144.59105s) stopped
T12 << 1462238544.66824508 LCAO eigensolver (5247.63204s) stopped
T12 >> 1462238547.83508992 Density (1285.37600s) started
T12 >> 1462238547.83510590 Pseudo density (1000.06452s) started
T12 >> 1462238547.83772206 Calculate density matrix (939.52205s) started
T12 << 1462238559.65651703 Calculate density matrix (951.34085s) stopped
T12 >> 1462238559.65656400 Construct density (58.95673s) started
T12 << 1462238560.39909291 Construct density (59.69926s) stopped
T12 >> 1462238560.41399002 Symmetrize density (0.00649s) started
T12 << 1462238560.41405010 Symmetrize density (0.00655s) stopped
T12 << 1462238560.41614509 Pseudo density (1012.64556s) stopped
T12 >> 1462238560.41620111 Atomic density matrices (249.95787s) started
T12 << 1462238563.62728500 Atomic density matrices (253.16896s) stopped
T12 >> 1462238563.62731695 Multipole moments (0.69393s) started
T12 << 1462238563.63653302 Multipole moments (0.70315s) stopped
T12 >> 1462238563.63655996 Normalize (0.56580s) started
T12 << 1462238563.64330101 Normalize (0.57254s) stopped
T12 >> 1462238563.64334702 Mix (34.08803s) started
T12 << 1462238563.99942994 Mix (34.44411s) stopped
T12 << 1462238563.99946499 Density (1301.54037s) stopped
T12 >> 1462238563.99949193 Hamiltonian (3621.16000s) started
T12 >> 1462238563.99950600 vbar (2.20843s) started
T12 << 1462238564.02935290 vbar (2.23827s) stopped
T12 >> 1462238564.02949190 XC 3D grid (2230.80829s) started
T12 >> 1462238564.55534196 van der Waals (2155.30925s) started
T12 >> 1462238564.66636109 semilocal (456.08187s) started
T12 << 1462238570.47682095 semilocal (461.89233s) stopped
T12 >> 1462238570.55729604 redistribute (225.81411s) started
T12 << 1462238571.52747607 redistribute (226.78429s) stopped
T12 >> 1462238571.52752090 libvdwxc nonlocal (1458.40243s) started
T12 << 1462238590.51339197 libvdwxc nonlocal (1477.38830s) stopped
T12 >> 1462238590.51346207 redistribute (226.78432s) started
T12 << 1462238592.19684005 redistribute (228.46770s) stopped
T12 << 1462238592.19821000 van der Waals (2182.95212s) stopped
T12 << 1462238592.65857792 XC 3D grid (2259.43738s) stopped
T12 >> 1462238592.65862012 Poisson (625.17385s) started
T12 << 1462238601.38376689 Poisson (633.89900s) stopped
T12 >> 1462238601.38383102 Hartree integrate/restrict (28.93858s) started
T12 << 1462238601.43887496 Hartree integrate/restrict (28.99363s) stopped
T12 >> 1462238601.43892407 Hartree integrate/restrict (28.99366s) started
T12 << 1462238601.74842095 Hartree integrate/restrict (29.30316s) stopped
T12 >> 1462238601.74874401 Atomic (189.24368s) started
T12 >> 1462238601.75037789 XC Correction (0.00253s) started
T12 << 1462238601.75039196 XC Correction (0.00254s) stopped
T12 << 1462238604.12395310 Atomic (191.61889s) stopped
T12 >> 1462238604.12411809 Communicate (544.74277s) started
T12 << 1462238610.92228508 Communicate (551.54094s) stopped
T12 << 1462238610.92232203 Hamiltonian (3668.08283s) stopped
T12 >> 1462238610.92234707 LCAO eigensolver (5247.63206s) started
T12 >> 1462238610.92235994 Potential matrix (81.05897s) started
T12 << 1462238611.88697100 Potential matrix (82.02359s) stopped
T12 >> 1462238611.88704491 DistributedAtomicCorrection (31.64652s) started
T12 << 1462238612.25569105 DistributedAtomicCorrection (32.01517s) stopped
T12 >> 1462238612.25574398 Distribute overlap matrix (563.81774s) started
T12 >> 1462238612.25576591 blocked summation (320.01315s) started
T12 << 1462238616.10362792 blocked summation (323.86101s) stopped
T12 >> 1462238616.11347604 Scalapack redistribute (242.98672s) started
T12 << 1462238619.06921005 Scalapack redistribute (245.94246s) stopped
T12 << 1462238619.06928301 Distribute overlap matrix (570.63128s) stopped
T12 >> 1462238619.07384396 Blacs Orbital Layouts (4426.10637s) started
T12 >> 1462238619.08215499 General diagonalize (4407.94423s) started
T12 << 1462238673.47757792 General diagonalize (4462.33966s) stopped
T12 >> 1462238673.47762489 Redistribute coefs (0.67254s) started
T12 << 1462238673.48472905 Redistribute coefs (0.67964s) stopped
T12 >> 1462238673.48480701 Send coefs to domains (16.74121s) started
T12 << 1462238673.67259407 Send coefs to domains (16.92900s) stopped
T12 << 1462238673.67311001 Blacs Orbital Layouts (4480.70563s) stopped
T12 >> 1462238673.67313790 Calculate projections (144.59110s) started
T12 << 1462238675.37537289 Calculate projections (146.29333s) stopped
T12 << 1462238675.37555504 LCAO eigensolver (5312.08526s) stopped
T12 >> 1462238678.52713704 Density (1301.54039s) started
T12 >> 1462238678.52715111 Pseudo density (1012.64560s) started
T12 >> 1462238678.52952099 Calculate density matrix (951.34088s) started
T12 << 1462238690.36828208 Calculate density matrix (963.17964s) stopped
T12 >> 1462238690.36833000 Construct density (59.69931s) started
T12 << 1462238691.10986304 Construct density (60.44084s) stopped
T12 >> 1462238691.12400508 Symmetrize density (0.00657s) started
T12 << 1462238691.12406993 Symmetrize density (0.00664s) stopped
T12 << 1462238691.12615108 Pseudo density (1025.24460s) stopped
T12 >> 1462238691.12620807 Atomic density matrices (253.16898s) started
T12 << 1462238694.32221794 Atomic density matrices (256.36499s) stopped
T12 >> 1462238694.32224989 Multipole moments (0.70316s) started
T12 << 1462238694.33154202 Multipole moments (0.71245s) stopped
T12 >> 1462238694.33156991 Normalize (0.57257s) started
T12 << 1462238694.33841705 Normalize (0.57942s) stopped
T12 >> 1462238694.33846211 Mix (34.44414s) started
T12 << 1462238694.70355701 Mix (34.80924s) stopped
T12 << 1462238694.70361304 Density (1317.71686s) stopped
T12 >> 1462238694.70363903 Hamiltonian (3668.08284s) started
T12 >> 1462238694.70365405 vbar (2.23835s) started
T12 << 1462238694.72648811 vbar (2.26119s) stopped
T12 >> 1462238694.72657895 XC 3D grid (2259.43741s) started
T12 >> 1462238695.37505698 van der Waals (2182.95217s) started
T12 >> 1462238695.48610497 semilocal (461.89241s) started
T12 << 1462238701.28721404 semilocal (467.69352s) stopped
T12 >> 1462238701.37007809 redistribute (228.46774s) started
T12 << 1462238702.35706711 redistribute (229.45473s) stopped
T12 >> 1462238702.35711503 libvdwxc nonlocal (1477.38835s) started
T12 << 1462238720.79530597 libvdwxc nonlocal (1495.82654s) stopped
T12 >> 1462238720.79536891 redistribute (229.45476s) started
T12 << 1462238722.61097002 redistribute (231.27036s) stopped
T12 << 1462238722.61246395 van der Waals (2210.18957s) stopped
T12 << 1462238723.06405091 XC 3D grid (2287.77488s) stopped
T12 >> 1462238723.06409097 Poisson (633.89904s) started
T12 << 1462238734.43689299 Poisson (645.27184s) stopped
T12 >> 1462238734.43694711 Hartree integrate/restrict (29.30319s) started
T12 << 1462238734.48571801 Hartree integrate/restrict (29.35196s) stopped
T12 >> 1462238734.48580694 Hartree integrate/restrict (29.35202s) started
T12 << 1462238734.79777288 Hartree integrate/restrict (29.66399s) stopped
T12 >> 1462238734.79811692 Atomic (191.61891s) started
T12 >> 1462238734.79992890 XC Correction (0.00256s) started
T12 << 1462238734.79996204 XC Correction (0.00259s) stopped
T12 << 1462238737.16831589 Atomic (193.98911s) stopped
T12 >> 1462238737.16846800 Communicate (551.54096s) started
T12 << 1462238744.00057101 Communicate (558.37307s) stopped
T12 << 1462238744.00060606 Hamiltonian (3717.37981s) stopped
T12 >> 1462238744.00063109 LCAO eigensolver (5312.08528s) started
T12 >> 1462238744.00064397 Potential matrix (82.02363s) started
T12 << 1462238744.96948504 Potential matrix (82.99247s) stopped
T12 >> 1462238744.96955895 DistributedAtomicCorrection (32.01521s) started
T12 << 1462238745.34182906 DistributedAtomicCorrection (32.38748s) stopped
T12 >> 1462238745.34188390 Distribute overlap matrix (570.63129s) started
T12 >> 1462238745.34190512 blocked summation (323.86104s) started
T12 << 1462238749.14560890 blocked summation (327.66475s) stopped
T12 >> 1462238749.15483594 Scalapack redistribute (245.94249s) started
T12 << 1462238752.08483100 Scalapack redistribute (248.87249s) stopped
T12 << 1462238752.08494806 Distribute overlap matrix (577.37436s) stopped
T12 >> 1462238752.08935690 Blacs Orbital Layouts (4480.70565s) started
T12 >> 1462238752.09814501 General diagonalize (4462.33970s) started
T12 << 1462238802.83862710 General diagonalize (4513.08018s) stopped
T12 >> 1462238802.83871388 Redistribute coefs (0.67970s) started
T12 << 1462238802.84619093 Redistribute coefs (0.68718s) stopped
T12 >> 1462238802.84626389 Send coefs to domains (16.92903s) started
T12 << 1462238802.98336196 Send coefs to domains (17.06613s) stopped
T12 << 1462238802.98389912 Blacs Orbital Layouts (4531.60019s) stopped
T12 >> 1462238802.98394299 Calculate projections (146.29338s) started
T12 << 1462238804.68661189 Calculate projections (147.99605s) stopped
T12 << 1462238804.68680000 LCAO eigensolver (5372.77145s) stopped
T12 >> 1462238807.84460306 Density (1317.71688s) started
T12 >> 1462238807.84461904 Pseudo density (1025.24465s) started
T12 >> 1462238807.84717798 Calculate density matrix (963.17968s) started
T12 << 1462238819.73945403 Calculate density matrix (975.07195s) stopped
T12 >> 1462238819.73950291 Construct density (60.44089s) started
T12 << 1462238820.48167801 Construct density (61.18307s) stopped
T12 >> 1462238820.49696398 Symmetrize density (0.00665s) started
T12 << 1462238820.49703097 Symmetrize density (0.00672s) stopped
T12 << 1462238820.49910903 Pseudo density (1037.89914s) stopped
T12 >> 1462238820.49916601 Atomic density matrices (256.36502s) started
T12 << 1462238823.64354491 Atomic density matrices (259.50940s) stopped
T12 >> 1462238823.64357710 Multipole moments (0.71247s) started
T12 << 1462238823.65264511 Multipole moments (0.72154s) stopped
T12 >> 1462238823.65267301 Normalize (0.57945s) started
T12 << 1462238823.65931606 Normalize (0.58610s) stopped
T12 >> 1462238823.65935898 Mix (34.80929s) started
T12 << 1462238824.07382107 Mix (35.22375s) stopped
T12 << 1462238824.07387209 Density (1333.94615s) stopped
T12 >> 1462238824.07389808 Hamiltonian (3717.37982s) started
T12 >> 1462238824.07391310 vbar (2.26124s) started
T12 << 1462238824.10310006 vbar (2.29043s) stopped
T12 >> 1462238824.10325289 XC 3D grid (2287.77492s) started
T12 >> 1462238824.58918095 van der Waals (2210.18962s) started
T12 >> 1462238824.69810510 semilocal (467.69360s) started
T12 << 1462238830.42043996 semilocal (473.41594s) stopped
T12 >> 1462238830.49744797 redistribute (231.27040s) started
T12 << 1462238831.62286592 redistribute (232.39582s) stopped
T12 >> 1462238831.62291098 libvdwxc nonlocal (1495.82659s) started
T12 << 1462238850.55823207 libvdwxc nonlocal (1514.76191s) stopped
T12 >> 1462238850.55829310 redistribute (232.39585s) started
T12 << 1462238852.24673796 redistribute (234.08430s) stopped
T12 << 1462238852.24826598 van der Waals (2237.84871s) stopped
T12 << 1462238852.70568204 XC 3D grid (2316.37734s) stopped
T12 >> 1462238852.70574594 Poisson (645.27189s) started
T12 << 1462238859.96667099 Poisson (652.53281s) stopped
T12 >> 1462238859.96672893 Hartree integrate/restrict (29.66404s) started
T12 << 1462238860.02147102 Hartree integrate/restrict (29.71879s) stopped
T12 >> 1462238860.02154994 Hartree integrate/restrict (29.71884s) started
T12 << 1462238860.33262706 Hartree integrate/restrict (30.02992s) stopped
T12 >> 1462238860.33299398 Atomic (193.98914s) started
T12 >> 1462238860.33456898 XC Correction (0.00260s) started
T12 << 1462238860.33458400 XC Correction (0.00262s) stopped
T12 << 1462238862.70488191 Atomic (196.36102s) stopped
T12 >> 1462238862.70502210 Communicate (558.37309s) started
T12 << 1462238869.55260301 Communicate (565.22067s) stopped
T12 << 1462238869.55263901 Hamiltonian (3762.85856s) stopped
T12 >> 1462238869.55266404 LCAO eigensolver (5372.77147s) started
T12 >> 1462238869.55267692 Potential matrix (82.99252s) started
T12 << 1462238870.52178788 Potential matrix (83.96163s) stopped
T12 >> 1462238870.52187800 DistributedAtomicCorrection (32.38752s) started
T12 << 1462238870.89313293 DistributedAtomicCorrection (32.75877s) stopped
T12 >> 1462238870.89318299 Distribute overlap matrix (577.37437s) started
T12 >> 1462238870.89320397 blocked summation (327.66478s) started
T12 << 1462238874.73281097 blocked summation (331.50439s) stopped
T12 >> 1462238874.74297190 Scalapack redistribute (248.87255s) started
T12 << 1462238877.63192391 Scalapack redistribute (251.76150s) stopped
T12 << 1462238877.63202190 Distribute overlap matrix (584.11321s) stopped
T12 >> 1462238877.63640308 Blacs Orbital Layouts (4531.60021s) started
T12 >> 1462238877.64520001 General diagonalize (4513.08025s) started
T12 << 1462238931.21033692 General diagonalize (4566.64539s) stopped
T12 >> 1462238931.21038198 Redistribute coefs (0.68723s) started
T12 << 1462238931.21740794 Redistribute coefs (0.69426s) stopped
T12 >> 1462238931.21747303 Send coefs to domains (17.06616s) started
T12 << 1462238931.30811000 Send coefs to domains (17.15680s) stopped
T12 << 1462238931.30855608 Blacs Orbital Layouts (4585.27237s) stopped
T12 >> 1462238931.30860090 Calculate projections (147.99610s) started
T12 << 1462238933.01076794 Calculate projections (149.69827s) stopped
T12 << 1462238933.01095605 LCAO eigensolver (5436.22976s) stopped
T12 >> 1462238936.14829397 Density (1333.94616s) started
T12 >> 1462238936.14830899 Pseudo density (1037.89918s) started
T12 >> 1462238936.15063310 Calculate density matrix (975.07199s) started
T12 << 1462238947.99373698 Calculate density matrix (986.91509s) stopped
T12 >> 1462238947.99378395 Construct density (61.18312s) started
T12 << 1462238948.73503494 Construct density (61.92437s) stopped
T12 >> 1462238948.74952197 Symmetrize density (0.00674s) started
T12 << 1462238948.74958491 Symmetrize density (0.00680s) stopped
T12 << 1462238948.75167298 Pseudo density (1050.50255s) stopped
T12 >> 1462238948.75172901 Atomic density matrices (259.50942s) started
T12 << 1462238951.95104289 Atomic density matrices (262.70873s) stopped
T12 >> 1462238951.95107508 Multipole moments (0.72156s) started
T12 << 1462238951.96025109 Multipole moments (0.73073s) stopped
T12 >> 1462238951.96027398 Normalize (0.58613s) started
T12 << 1462238951.96709108 Normalize (0.59294s) stopped
T12 >> 1462238951.96713495 Mix (35.22380s) started
T12 << 1462238952.41594005 Mix (35.67261s) stopped
T12 << 1462238952.41597390 Density (1350.21384s) stopped
T12 >> 1462238952.41599989 Hamiltonian (3762.85857s) started
T12 >> 1462238952.41601396 vbar (2.29052s) started
T12 << 1462238952.45043492 vbar (2.32494s) stopped
T12 >> 1462238952.45050907 XC 3D grid (2316.37740s) started
T12 >> 1462238952.92133808 van der Waals (2237.84875s) started
T12 >> 1462238953.03198195 semilocal (473.41602s) started
T12 << 1462238958.72426796 semilocal (479.10831s) stopped
T12 >> 1462238958.80319095 redistribute (234.08433s) started
T12 << 1462238959.88434100 redistribute (235.16548s) stopped
T12 >> 1462238959.88439012 libvdwxc nonlocal (1514.76196s) started
T12 << 1462238978.54138899 libvdwxc nonlocal (1533.41896s) stopped
T12 >> 1462238978.54145193 redistribute (235.16552s) started
T12 << 1462238980.21864295 redistribute (236.84271s) stopped
T12 << 1462238980.22005105 van der Waals (2265.14746s) stopped
T12 << 1462238980.67874908 XC 3D grid (2344.60564s) stopped
T12 >> 1462238980.67878890 Poisson (652.53285s) started
T12 << 1462238986.44737291 Poisson (658.30144s) stopped
T12 >> 1462238986.44744110 Hartree integrate/restrict (30.02997s) started
T12 << 1462238986.49604011 Hartree integrate/restrict (30.07857s) stopped
T12 >> 1462238986.49609399 Hartree integrate/restrict (30.07860s) started
T12 << 1462238986.80593705 Hartree integrate/restrict (30.38844s) stopped
T12 >> 1462238986.80624390 Atomic (196.36105s) started
T12 >> 1462238986.80780506 XC Correction (0.00263s) started
T12 << 1462238986.80782008 XC Correction (0.00264s) stopped
T12 << 1462238989.17953897 Atomic (198.73434s) stopped
T12 >> 1462238989.17966509 Communicate (565.22069s) started
T12 << 1462238996.00241899 Communicate (572.04345s) stopped
T12 << 1462238996.00244689 Hamiltonian (3806.44502s) stopped
T12 >> 1462238996.00246906 LCAO eigensolver (5436.22978s) started
T12 >> 1462238996.00248098 Potential matrix (83.96168s) started
T12 << 1462238996.96393609 Potential matrix (84.92314s) stopped
T12 >> 1462238996.96402407 DistributedAtomicCorrection (32.75881s) started
T12 << 1462238997.33695412 DistributedAtomicCorrection (33.13174s) stopped
T12 >> 1462238997.33700204 Distribute overlap matrix (584.11322s) started
T12 >> 1462238997.33702397 blocked summation (331.50442s) started
T12 << 1462239001.13452601 blocked summation (335.30192s) stopped
T12 >> 1462239001.14362407 Scalapack redistribute (251.76156s) started
T12 << 1462239004.16790199 Scalapack redistribute (254.78584s) stopped
T12 << 1462239004.16800189 Distribute overlap matrix (590.94422s) stopped
T12 >> 1462239004.17233109 Blacs Orbital Layouts (4585.27238s) started
T12 >> 1462239004.18140197 General diagonalize (4566.64543s) started
T12 << 1462239056.92944288 General diagonalize (4619.39347s) stopped
T12 >> 1462239056.92948890 Redistribute coefs (0.69431s) started
T12 << 1462239056.93663406 Redistribute coefs (0.70146s) stopped
T12 >> 1462239056.93670297 Send coefs to domains (17.15683s) started
T12 << 1462239057.24319911 Send coefs to domains (17.46333s) stopped
T12 << 1462239057.24383712 Blacs Orbital Layouts (4638.34389s) stopped
T12 >> 1462239057.24388099 Calculate projections (149.69832s) started
T12 << 1462239058.94616890 Calculate projections (151.40061s) stopped
T12 << 1462239058.94634604 LCAO eigensolver (5499.17366s) stopped
T12 >> 1462239062.08271790 Density (1350.21385s) started
T12 >> 1462239062.08273292 Pseudo density (1050.50259s) started
T12 >> 1462239062.08513904 Calculate density matrix (986.91513s) started
T12 << 1462239074.03184295 Calculate density matrix (998.86183s) stopped
T12 >> 1462239074.03188896 Construct density (61.92442s) started
T12 << 1462239074.77313709 Construct density (62.66567s) stopped
T12 >> 1462239074.78848100 Symmetrize density (0.00682s) started
T12 << 1462239074.78854799 Symmetrize density (0.00688s) stopped
T12 << 1462239074.79062104 Pseudo density (1063.21048s) stopped
T12 >> 1462239074.79067707 Atomic density matrices (262.70876s) started
T12 << 1462239078.03629088 Atomic density matrices (265.95437s) stopped
T12 >> 1462239078.03632307 Multipole moments (0.73075s) started
T12 << 1462239078.04551101 Multipole moments (0.73993s) stopped
T12 >> 1462239078.04553509 Normalize (0.59297s) started
T12 << 1462239078.05229712 Normalize (0.59973s) stopped
T12 >> 1462239078.05234289 Mix (35.67264s) started
T12 << 1462239078.45951509 Mix (36.07982s) stopped
T12 << 1462239078.45954895 Density (1366.59068s) stopped
T12 >> 1462239078.45957303 Hamiltonian (3806.44503s) started
T12 >> 1462239078.45958900 vbar (2.32498s) started
T12 << 1462239078.48382711 vbar (2.34922s) stopped
T12 >> 1462239078.48393106 XC 3D grid (2344.60567s) started
T12 >> 1462239079.01628208 van der Waals (2265.14749s) started
T12 >> 1462239079.12470198 semilocal (479.10845s) started
T12 << 1462239084.83301401 semilocal (484.81677s) stopped
T12 >> 1462239084.91366005 redistribute (236.84276s) started
T12 << 1462239085.96170902 redistribute (237.89081s) stopped
T12 >> 1462239085.96175289 libvdwxc nonlocal (1533.41901s) started
T12 << 1462239104.28027701 libvdwxc nonlocal (1551.73753s) stopped
T12 >> 1462239104.28034306 redistribute (237.89084s) started
T12 << 1462239106.77910590 redistribute (240.38961s) stopped
T12 << 1462239106.78031611 van der Waals (2292.91153s) stopped
T12 << 1462239107.23672104 XC 3D grid (2373.35846s) stopped
T12 >> 1462239107.23677492 Poisson (658.30149s) started
T12 << 1462239111.54010892 Poisson (662.60482s) stopped
T12 >> 1462239111.54022098 Hartree integrate/restrict (30.38847s) started
T12 << 1462239111.58424711 Hartree integrate/restrict (30.43250s) stopped
T12 >> 1462239111.58433890 Hartree integrate/restrict (30.43256s) started
T12 << 1462239111.92377090 Hartree integrate/restrict (30.77199s) stopped
T12 >> 1462239111.92409492 Atomic (198.73436s) started
T12 >> 1462239111.92565703 XC Correction (0.00265s) started
T12 << 1462239111.92567205 XC Correction (0.00267s) stopped
T12 << 1462239114.28010798 Atomic (201.09038s) stopped
T12 >> 1462239114.28021407 Communicate (572.04347s) started
T12 << 1462239121.10862398 Communicate (578.87188s) stopped
T12 << 1462239121.10865307 Hamiltonian (3849.09411s) stopped
T12 >> 1462239121.10867500 LCAO eigensolver (5499.17367s) started
T12 >> 1462239121.10868812 Potential matrix (84.92319s) started
T12 << 1462239122.06981707 Potential matrix (85.88432s) stopped
T12 >> 1462239122.06990504 DistributedAtomicCorrection (33.13178s) started
T12 << 1462239122.44168401 DistributedAtomicCorrection (33.50356s) stopped
T12 >> 1462239122.44173408 Distribute overlap matrix (590.94423s) started
T12 >> 1462239122.44175601 blocked summation (335.30195s) started
T12 << 1462239126.23754096 blocked summation (339.09774s) stopped
T12 >> 1462239126.24859309 Scalapack redistribute (254.78590s) started
T12 << 1462239129.30730009 Scalapack redistribute (257.84461s) stopped
T12 << 1462239129.30741405 Distribute overlap matrix (597.80991s) stopped
T12 >> 1462239129.31190395 Blacs Orbital Layouts (4638.34391s) started
T12 >> 1462239129.31980109 General diagonalize (4619.39351s) started
T12 << 1462239182.05570602 General diagonalize (4672.12941s) stopped
T12 >> 1462239182.05579209 Redistribute coefs (0.70151s) started
T12 << 1462239182.06318593 Redistribute coefs (0.70891s) stopped
T12 >> 1462239182.06326294 Send coefs to domains (17.46336s) started
T12 << 1462239182.41275311 Send coefs to domains (17.81285s) stopped
T12 << 1462239182.41294289 Blacs Orbital Layouts (4691.44495s) stopped
T12 >> 1462239182.41298699 Calculate projections (151.40066s) started
T12 << 1462239184.11497593 Calculate projections (153.10265s) stopped
T12 << 1462239184.11528802 LCAO eigensolver (5562.18029s) stopped
T12 >> 1462239187.25522494 Density (1366.59069s) started
T12 >> 1462239187.25524092 Pseudo density (1063.21053s) started
T12 >> 1462239187.25761008 Calculate density matrix (998.86187s) started
T12 << 1462239199.15194392 Calculate density matrix (1010.75620s) stopped
T12 >> 1462239199.15199089 Construct density (62.66572s) started
T12 << 1462239199.89290404 Construct density (63.40664s) stopped
T12 >> 1462239199.90717411 Symmetrize density (0.00690s) started
T12 << 1462239199.90723991 Symmetrize density (0.00697s) stopped
T12 << 1462239199.90931702 Pseudo density (1075.86460s) stopped
T12 >> 1462239199.90937209 Atomic density matrices (265.95440s) started
T12 << 1462239203.09256506 Atomic density matrices (269.13759s) stopped
T12 >> 1462239203.09259701 Multipole moments (0.73995s) started
T12 << 1462239203.10162807 Multipole moments (0.74898s) stopped
T12 >> 1462239203.10165191 Normalize (0.59977s) started
T12 << 1462239203.10839295 Normalize (0.60651s) stopped
T12 >> 1462239203.10843611 Mix (36.07985s) started
T12 << 1462239203.52523303 Mix (36.49665s) stopped
T12 << 1462239203.52528095 Density (1382.86075s) stopped
T12 >> 1462239203.52530599 Hamiltonian (3849.09412s) started
T12 >> 1462239203.52532005 vbar (2.34928s) started
T12 << 1462239203.54991603 vbar (2.37388s) stopped
T12 >> 1462239203.55011296 XC 3D grid (2373.35850s) started
T12 >> 1462239204.06605411 van der Waals (2292.91156s) started
T12 >> 1462239204.17404103 semilocal (484.81682s) started
T12 << 1462239210.00428605 semilocal (490.64707s) stopped
T12 >> 1462239210.08005905 redistribute (240.38964s) started
T12 << 1462239211.02825189 redistribute (241.33783s) stopped
T12 >> 1462239211.02829409 libvdwxc nonlocal (1551.73758s) started
T12 << 1462239229.96022511 libvdwxc nonlocal (1570.66951s) stopped
T12 >> 1462239229.96028495 redistribute (241.33787s) started
T12 << 1462239231.62758899 redistribute (243.00517s) stopped
T12 << 1462239231.62879205 van der Waals (2320.47430s) stopped
T12 << 1462239232.08159399 XC 3D grid (2401.88998s) stopped
T12 >> 1462239232.08164310 Poisson (662.60491s) started
T12 << 1462239237.91796899 Poisson (668.44124s) stopped
T12 >> 1462239237.91805410 Hartree integrate/restrict (30.77203s) started
T12 << 1462239237.97325802 Hartree integrate/restrict (30.82723s) stopped
T12 >> 1462239237.97336102 Hartree integrate/restrict (30.82731s) started
T12 << 1462239238.28625298 Hartree integrate/restrict (31.14020s) stopped
T12 >> 1462239238.28659201 Atomic (201.09040s) started
T12 >> 1462239238.28821707 XC Correction (0.00268s) started
T12 << 1462239238.28823495 XC Correction (0.00270s) stopped
T12 << 1462239240.65952110 Atomic (203.46333s) stopped
T12 >> 1462239240.65961194 Communicate (578.87190s) started
T12 << 1462239247.45385599 Communicate (585.66614s) stopped
T12 << 1462239247.45389009 Hamiltonian (3893.02271s) stopped
T12 >> 1462239247.45391393 LCAO eigensolver (5562.18031s) started
T12 >> 1462239247.45392609 Potential matrix (85.88437s) started
T12 << 1462239248.42264199 Potential matrix (86.85309s) stopped
T12 >> 1462239248.42272997 DistributedAtomicCorrection (33.50360s) started
T12 << 1462239248.79322505 DistributedAtomicCorrection (33.87409s) stopped
T12 >> 1462239248.79327393 Distribute overlap matrix (597.80992s) started
T12 >> 1462239248.79329491 blocked summation (339.09777s) started
T12 << 1462239252.59822011 blocked summation (342.90269s) stopped
T12 >> 1462239252.60828805 Scalapack redistribute (257.84467s) started
T12 << 1462239255.61776900 Scalapack redistribute (260.85415s) stopped
T12 << 1462239255.61787391 Distribute overlap matrix (604.63452s) stopped
T12 >> 1462239255.62281799 Blacs Orbital Layouts (4691.44497s) started
T12 >> 1462239255.63140297 General diagonalize (4672.12948s) started
T12 << 1462239305.78039789 General diagonalize (4722.27848s) stopped
T12 >> 1462239305.78048110 Redistribute coefs (0.70897s) started
T12 << 1462239305.78769112 Redistribute coefs (0.71618s) stopped
T12 >> 1462239305.78775597 Send coefs to domains (17.81288s) started
T12 << 1462239305.88332605 Send coefs to domains (17.90845s) stopped
T12 << 1462239305.88365197 Blacs Orbital Layouts (4741.70580s) stopped
T12 >> 1462239305.88369393 Calculate projections (153.10269s) started
T12 << 1462239307.58572006 Calculate projections (154.80472s) stopped
T12 << 1462239307.58606791 LCAO eigensolver (5622.31246s) stopped
T12 >> 1462239310.72291493 Density (1382.86076s) started
T12 >> 1462239310.72292995 Pseudo density (1075.86465s) started
T12 >> 1462239310.72522807 Calculate density matrix (1010.75623s) started
T12 << 1462239322.58835697 Calculate density matrix (1022.61936s) stopped
T12 >> 1462239322.58840704 Construct density (63.40669s) started
T12 << 1462239323.32973003 Construct density (64.14801s) stopped
T12 >> 1462239323.34335089 Symmetrize density (0.00698s) started
T12 << 1462239323.34340906 Symmetrize density (0.00704s) stopped
T12 << 1462239323.34546900 Pseudo density (1088.48719s) stopped
T12 >> 1462239323.34552407 Atomic density matrices (269.13762s) started
T12 << 1462239326.51334596 Atomic density matrices (272.30544s) stopped
T12 >> 1462239326.51337910 Multipole moments (0.74900s) started
T12 << 1462239326.52212000 Multipole moments (0.75774s) stopped
T12 >> 1462239326.52214408 Normalize (0.60654s) started
T12 << 1462239326.52889991 Normalize (0.61330s) stopped
T12 >> 1462239326.52894211 Mix (36.49669s) started
T12 << 1462239326.94912410 Mix (36.91688s) stopped
T12 << 1462239326.94918203 Density (1399.08703s) stopped
T12 >> 1462239326.94921207 Hamiltonian (3893.02272s) started
T12 >> 1462239326.94922805 vbar (2.37401s) started
T12 << 1462239326.98119307 vbar (2.40598s) stopped
T12 >> 1462239326.98142910 XC 3D grid (2401.89002s) started
T12 >> 1462239327.46221399 van der Waals (2320.47437s) started
T12 >> 1462239327.57177997 semilocal (490.64716s) started
T12 << 1462239333.28935909 semilocal (496.36474s) stopped
T12 >> 1462239333.36719704 redistribute (243.00524s) started
T12 << 1462239334.43376493 redistribute (244.07181s) stopped
T12 >> 1462239334.43381500 libvdwxc nonlocal (1570.66956s) started
T12 << 1462239352.89709306 libvdwxc nonlocal (1589.13284s) stopped
T12 >> 1462239352.89715600 redistribute (244.07184s) started
T12 << 1462239354.54443789 redistribute (245.71913s) stopped
T12 << 1462239354.54589605 van der Waals (2347.55805s) stopped
T12 << 1462239355.00092793 XC 3D grid (2429.90952s) stopped
T12 >> 1462239355.00096989 Poisson (668.44130s) started
T12 << 1462239360.72906303 Poisson (674.16939s) stopped
T12 >> 1462239360.72913504 Hartree integrate/restrict (31.14023s) started
T12 << 1462239360.77762699 Hartree integrate/restrict (31.18873s) stopped
T12 >> 1462239360.77770591 Hartree integrate/restrict (31.18878s) started
T12 << 1462239361.08908391 Hartree integrate/restrict (31.50016s) stopped
T12 >> 1462239361.08942008 Atomic (203.46335s) started
T12 >> 1462239361.09098196 XC Correction (0.00271s) started
T12 << 1462239361.09099889 XC Correction (0.00273s) stopped
T12 << 1462239363.46456409 Atomic (205.83849s) stopped
T12 >> 1462239363.46464300 Communicate (585.66616s) started
T12 << 1462239370.28204894 Communicate (592.48357s) stopped
T12 << 1462239370.28208590 Hamiltonian (3936.35559s) stopped
T12 >> 1462239370.28211093 LCAO eigensolver (5622.31248s) started
T12 >> 1462239370.28212404 Potential matrix (86.85314s) started
T12 << 1462239371.24889994 Potential matrix (87.81992s) stopped
T12 >> 1462239371.24897289 DistributedAtomicCorrection (33.87413s) started
T12 << 1462239371.61557388 DistributedAtomicCorrection (34.24073s) stopped
T12 >> 1462239371.61562300 Distribute overlap matrix (604.63454s) started
T12 >> 1462239371.61564302 blocked summation (342.90273s) started
T12 << 1462239375.43384790 blocked summation (346.72093s) stopped
T12 >> 1462239375.44390798 Scalapack redistribute (260.85421s) started
T12 << 1462239378.59975600 Scalapack redistribute (264.01006s) stopped
T12 << 1462239378.59987903 Distribute overlap matrix (611.61879s) stopped
T12 >> 1462239378.60445595 Blacs Orbital Layouts (4741.70582s) started
T12 >> 1462239378.61263394 General diagonalize (4722.27855s) started
T12 << 1462239430.44320011 General diagonalize (4774.10912s) stopped
T12 >> 1462239430.44324493 Redistribute coefs (0.71623s) started
T12 << 1462239430.45028400 Redistribute coefs (0.72327s) stopped
T12 >> 1462239430.45035410 Send coefs to domains (17.90848s) started
T12 << 1462239430.61617303 Send coefs to domains (18.07430s) stopped
T12 << 1462239430.61633992 Blacs Orbital Layouts (4793.71770s) stopped
T12 >> 1462239430.61638498 Calculate projections (154.80477s) started
T12 << 1462239432.31919599 Calculate projections (156.50758s) stopped
T12 << 1462239432.31952095 LCAO eigensolver (5684.34989s) stopped
T12 >> 1462239435.45495892 Density (1399.08704s) started
T12 >> 1462239435.45497394 Pseudo density (1088.48723s) started
T12 >> 1462239435.45746112 Calculate density matrix (1022.61940s) started
T12 << 1462239447.31507492 Calculate density matrix (1034.47701s) stopped
T12 >> 1462239447.31512308 Construct density (64.14807s) started
T12 << 1462239448.05731106 Construct density (64.89026s) stopped
T12 >> 1462239448.07137394 Symmetrize density (0.00706s) started
T12 << 1462239448.07143593 Symmetrize density (0.00712s) stopped
T12 << 1462239448.07352996 Pseudo density (1101.10579s) stopped
T12 >> 1462239448.07358599 Atomic density matrices (272.30546s) started
T12 << 1462239451.20031500 Atomic density matrices (275.43219s) stopped
T12 >> 1462239451.20036006 Multipole moments (0.75776s) started
T12 << 1462239451.20944691 Multipole moments (0.76684s) stopped
T12 >> 1462239451.20947099 Normalize (0.61333s) started
T12 << 1462239451.21629000 Normalize (0.62015s) stopped
T12 >> 1462239451.21633410 Mix (36.91693s) started
T12 << 1462239451.73348594 Mix (37.43409s) stopped
T12 << 1462239451.73351598 Density (1415.36560s) stopped
T12 >> 1462239451.73354101 Hamiltonian (3936.35561s) started
T12 >> 1462239451.73355508 vbar (2.40611s) started
T12 << 1462239451.75459504 vbar (2.42715s) stopped
T12 >> 1462239451.75469708 XC 3D grid (2429.90956s) started
T12 >> 1462239452.34495211 van der Waals (2347.55809s) started
T12 >> 1462239452.45229411 semilocal (496.36484s) started
T12 << 1462239458.29122210 semilocal (502.20377s) stopped
T12 >> 1462239458.36996007 redistribute (245.71916s) started
T12 << 1462239459.31024790 redistribute (246.65945s) stopped
T12 >> 1462239459.31029105 libvdwxc nonlocal (1589.13288s) started
T12 << 1462239477.85600209 libvdwxc nonlocal (1607.67859s) stopped
T12 >> 1462239477.85607004 redistribute (246.65948s) started
T12 << 1462239479.59725809 redistribute (248.40067s) stopped
T12 << 1462239479.59880805 van der Waals (2374.81194s) stopped
T12 << 1462239480.05577993 XC 3D grid (2458.21064s) stopped
T12 >> 1462239480.05582404 Poisson (674.16945s) started
T12 << 1462239484.42286110 Poisson (678.53648s) stopped
T12 >> 1462239484.42292309 Hartree integrate/restrict (31.50019s) started
T12 << 1462239484.47930408 Hartree integrate/restrict (31.55658s) stopped
T12 >> 1462239484.47937489 Hartree integrate/restrict (31.55662s) started
T12 << 1462239484.79037094 Hartree integrate/restrict (31.86762s) stopped
T12 >> 1462239484.79068899 Atomic (205.83851s) started
T12 >> 1462239484.79231191 XC Correction (0.00274s) started
T12 << 1462239484.79232693 XC Correction (0.00275s) stopped
T12 << 1462239487.15799403 Atomic (208.20582s) stopped
T12 >> 1462239487.15807199 Communicate (592.48359s) started
T12 << 1462239493.96915007 Communicate (599.29467s) stopped
T12 << 1462239493.96918392 Hamiltonian (3978.59125s) stopped
T12 >> 1462239493.96920800 LCAO eigensolver (5684.34991s) started
T12 >> 1462239493.96922112 Potential matrix (87.81996s) started
T12 << 1462239494.93670392 Potential matrix (88.78744s) stopped
T12 >> 1462239494.93679190 DistributedAtomicCorrection (34.24077s) started
T12 << 1462239495.31444693 DistributedAtomicCorrection (34.61842s) stopped
T12 >> 1462239495.31449699 Distribute overlap matrix (611.61880s) started
T12 >> 1462239495.31451702 blocked summation (346.72096s) started
T12 << 1462239499.11204696 blocked summation (350.51849s) stopped
T12 >> 1462239499.12295389 Scalapack redistribute (264.01014s) started
T12 << 1462239502.07289410 Scalapack redistribute (266.96008s) stopped
T12 << 1462239502.07303309 Distribute overlap matrix (618.37734s) stopped
T12 >> 1462239502.07820892 Blacs Orbital Layouts (4793.71772s) started
T12 >> 1462239502.08684707 General diagonalize (4774.10915s) started
T12 << 1462239555.24807906 General diagonalize (4827.27039s) stopped
T12 >> 1462239555.24813104 Redistribute coefs (0.72333s) started
T12 << 1462239555.25642395 Redistribute coefs (0.73162s) stopped
T12 >> 1462239555.25647092 Send coefs to domains (18.07433s) started
T12 << 1462239555.41070008 Send coefs to domains (18.22856s) stopped
T12 << 1462239555.41107297 Blacs Orbital Layouts (4847.05059s) stopped
T12 >> 1462239555.41113400 Calculate projections (156.50763s) started
T12 << 1462239557.12741089 Calculate projections (158.22391s) stopped
T12 << 1462239557.12783289 LCAO eigensolver (5747.50853s) stopped
T12 >> 1462239560.26829004 Density (1415.36561s) started
T12 >> 1462239560.26830697 Pseudo density (1101.10583s) started
T12 >> 1462239560.27206707 Calculate density matrix (1034.47704s) started
T12 << 1462239572.09209490 Calculate density matrix (1046.29707s) stopped
T12 >> 1462239572.09215093 Construct density (64.89031s) started
T12 << 1462239572.83416390 Construct density (65.63232s) stopped
T12 >> 1462239572.85061193 Symmetrize density (0.00714s) started
T12 << 1462239572.85068107 Symmetrize density (0.00721s) stopped
T12 << 1462239572.85312700 Pseudo density (1113.69065s) stopped
T12 >> 1462239572.85319090 Atomic density matrices (275.43223s) started
T12 << 1462239575.99992204 Atomic density matrices (278.57896s) stopped
T12 >> 1462239575.99995804 Multipole moments (0.76686s) started
T12 << 1462239576.00922799 Multipole moments (0.77613s) stopped
T12 >> 1462239576.00925303 Normalize (0.62018s) started
T12 << 1462239576.01678896 Normalize (0.62771s) stopped
T12 >> 1462239576.01683903 Mix (37.43412s) started
T12 << 1462239576.44666696 Mix (37.86394s) stopped
T12 << 1462239576.44672608 Density (1431.54405s) stopped
T12 >> 1462239576.44675303 Hamiltonian (3978.59126s) started
T12 >> 1462239576.44676805 vbar (2.42721s) started
T12 << 1462239576.47261691 vbar (2.45306s) stopped
T12 >> 1462239576.47273493 XC 3D grid (2458.21068s) started
T12 >> 1462239576.96433711 van der Waals (2374.81197s) started
T12 >> 1462239577.07813597 semilocal (502.20386s) started
T12 << 1462239582.86794996 semilocal (507.99368s) stopped
T12 >> 1462239582.94815898 redistribute (248.40071s) started
T12 << 1462239583.96952605 redistribute (249.42207s) stopped
T12 >> 1462239583.96961093 libvdwxc nonlocal (1607.67865s) started
T12 << 1462239602.33241510 libvdwxc nonlocal (1626.04145s) stopped
T12 >> 1462239602.33249688 redistribute (249.42214s) started
T12 << 1462239604.30963802 redistribute (251.39928s) stopped
T12 << 1462239604.31127810 van der Waals (2402.15892s) stopped
T12 << 1462239604.77002597 XC 3D grid (2486.50797s) stopped
T12 >> 1462239604.77008796 Poisson (678.53653s) started
T12 << 1462239609.10644507 Poisson (682.87289s) stopped
T12 >> 1462239609.10660696 Hartree integrate/restrict (31.86765s) started
T12 << 1462239609.14390111 Hartree integrate/restrict (31.90495s) stopped
T12 >> 1462239609.14401793 Hartree integrate/restrict (31.90502s) started
T12 << 1462239609.47423005 Hartree integrate/restrict (32.23524s) stopped
T12 >> 1462239609.47457194 Atomic (208.20584s) started
T12 >> 1462239609.47610903 XC Correction (0.00276s) started
T12 << 1462239609.47612309 XC Correction (0.00278s) stopped
T12 << 1462239611.84782195 Atomic (210.57909s) stopped
T12 >> 1462239611.84791207 Communicate (599.29469s) started
T12 << 1462239618.66992903 Communicate (606.11671s) stopped
T12 << 1462239618.66996694 Hamiltonian (4020.81447s) stopped
T12 >> 1462239618.66999292 LCAO eigensolver (5747.50855s) started
T12 >> 1462239618.67000604 Potential matrix (88.78749s) started
T12 << 1462239619.63514996 Potential matrix (89.75264s) stopped
T12 >> 1462239619.63523006 DistributedAtomicCorrection (34.61846s) started
T12 << 1462239620.01330209 DistributedAtomicCorrection (34.99654s) stopped
T12 >> 1462239620.01335406 Distribute overlap matrix (618.37735s) started
T12 >> 1462239620.01337790 blocked summation (350.51853s) started
T12 << 1462239623.85226393 blocked summation (354.35741s) stopped
T12 >> 1462239623.86194491 Scalapack redistribute (266.96016s) started
T12 << 1462239626.85455203 Scalapack redistribute (269.95276s) stopped
T12 << 1462239626.85467505 Distribute overlap matrix (625.21867s) stopped
T12 >> 1462239626.85903096 Blacs Orbital Layouts (4847.05061s) started
T12 >> 1462239626.86748505 General diagonalize (4827.27043s) started
T12 << 1462239679.95784712 General diagonalize (4880.36079s) stopped
T12 >> 1462239679.95790005 Redistribute coefs (0.73166s) started
T12 << 1462239679.96607590 Redistribute coefs (0.73983s) stopped
T12 >> 1462239679.96612501 Send coefs to domains (18.22860s) started
T12 << 1462239680.10839605 Send coefs to domains (18.37087s) stopped
T12 << 1462239680.10859394 Blacs Orbital Layouts (4900.30017s) stopped
T12 >> 1462239680.10864592 Calculate projections (158.22396s) started
T12 << 1462239681.82552409 Calculate projections (159.94084s) stopped
T12 << 1462239681.82591510 LCAO eigensolver (5810.66447s) stopped
T12 >> 1462239684.98131299 Density (1431.54406s) started
T12 >> 1462239684.98132896 Pseudo density (1113.69070s) started
T12 >> 1462239684.98402190 Calculate density matrix (1046.29711s) started
T12 << 1462239696.90250802 Calculate density matrix (1058.21560s) stopped
T12 >> 1462239696.90256405 Construct density (65.63238s) started
T12 << 1462239697.64233303 Construct density (66.37215s) stopped
T12 >> 1462239697.65873504 Symmetrize density (0.00723s) started
T12 << 1462239697.65880704 Symmetrize density (0.00730s) stopped
T12 << 1462239697.66123295 Pseudo density (1126.37061s) stopped
T12 >> 1462239697.66129994 Atomic density matrices (278.57899s) started
T12 << 1462239700.77777410 Atomic density matrices (281.69546s) stopped
T12 >> 1462239700.77781606 Multipole moments (0.77615s) started
T12 << 1462239700.78685498 Multipole moments (0.78519s) stopped
T12 >> 1462239700.78688097 Normalize (0.62774s) started
T12 << 1462239700.79378295 Normalize (0.63465s) stopped
T12 >> 1462239700.79383111 Mix (37.86400s) started
T12 << 1462239701.23906589 Mix (38.30924s) stopped
T12 << 1462239701.23912001 Density (1447.80187s) stopped
T12 >> 1462239701.23915005 Hamiltonian (4020.81449s) started
T12 >> 1462239701.23916698 vbar (2.45312s) started
T12 << 1462239701.26074004 vbar (2.47470s) stopped
T12 >> 1462239701.26082492 XC 3D grid (2486.50802s) started
T12 >> 1462239701.75700212 van der Waals (2402.15896s) started
T12 >> 1462239701.86754799 semilocal (507.99375s) started
T12 << 1462239707.64367008 semilocal (513.76988s) stopped
T12 >> 1462239707.71644807 redistribute (251.39932s) started
T12 << 1462239708.72117710 redistribute (252.40405s) stopped
T12 >> 1462239708.72125506 libvdwxc nonlocal (1626.04151s) started
T12 << 1462239727.04771399 libvdwxc nonlocal (1644.36797s) stopped
T12 >> 1462239727.04779196 redistribute (252.40411s) started
T12 << 1462239729.81444812 redistribute (255.17076s) stopped
T12 << 1462239729.81554198 van der Waals (2430.21750s) stopped
T12 << 1462239730.26952100 XC 3D grid (2515.51671s) stopped
T12 >> 1462239730.26958990 Poisson (682.87301s) started
T12 << 1462239734.59193802 Poisson (687.19536s) stopped
T12 >> 1462239734.59202003 Hartree integrate/restrict (32.23529s) started
T12 << 1462239734.63009000 Hartree integrate/restrict (32.27336s) stopped
T12 >> 1462239734.63020897 Hartree integrate/restrict (32.27344s) started
T12 << 1462239734.95704198 Hartree integrate/restrict (32.60027s) stopped
T12 >> 1462239734.95737100 Atomic (210.57912s) started
T12 >> 1462239734.95904899 XC Correction (0.00279s) started
T12 << 1462239734.95908594 XC Correction (0.00283s) stopped
T12 << 1462239737.32816410 Atomic (212.94991s) stopped
T12 >> 1462239737.32824898 Communicate (606.11673s) started
T12 << 1462239744.13422489 Communicate (612.92271s) stopped
T12 << 1462239744.13426304 Hamiltonian (4063.70960s) stopped
T12 >> 1462239744.13428903 LCAO eigensolver (5810.66449s) started
T12 >> 1462239744.13430309 Potential matrix (89.75268s) started
T12 << 1462239745.10125899 Potential matrix (90.71964s) stopped
T12 >> 1462239745.10135603 DistributedAtomicCorrection (34.99658s) started
T12 << 1462239745.47581697 DistributedAtomicCorrection (35.37104s) stopped
T12 >> 1462239745.47587109 Distribute overlap matrix (625.21869s) started
T12 >> 1462239745.47589493 blocked summation (354.35747s) started
T12 << 1462239749.29026890 blocked summation (358.17185s) stopped
T12 >> 1462239749.30077600 Scalapack redistribute (269.95283s) started
T12 << 1462239752.31003094 Scalapack redistribute (272.96209s) stopped
T12 << 1462239752.31013107 Distribute overlap matrix (632.05295s) stopped
T12 >> 1462239752.31538010 Blacs Orbital Layouts (4900.30019s) started
T12 >> 1462239752.32370305 General diagonalize (4880.36083s) started
T12 << 1462239805.27855110 General diagonalize (4933.31568s) stopped
T12 >> 1462239805.27860403 Redistribute coefs (0.73987s) started
T12 << 1462239805.28637910 Redistribute coefs (0.74765s) stopped
T12 >> 1462239805.28642392 Send coefs to domains (18.37091s) started
T12 << 1462239805.38293290 Send coefs to domains (18.46742s) stopped
T12 << 1462239805.38315296 Blacs Orbital Layouts (4953.36796s) stopped
T12 >> 1462239805.38320494 Calculate projections (159.94090s) started
T12 << 1462239807.10043907 Calculate projections (161.65813s) stopped
T12 << 1462239807.10082197 LCAO eigensolver (5873.63102s) stopped
T12 >> 1462239810.22499609 Density (1447.80188s) started
T12 >> 1462239810.22501302 Pseudo density (1126.37066s) started
T12 >> 1462239810.22771096 Calculate density matrix (1058.21563s) started
T12 << 1462239822.13897896 Calculate density matrix (1070.12690s) stopped
T12 >> 1462239822.13903499 Construct density (66.37221s) started
T12 << 1462239822.88202405 Construct density (67.11520s) stopped
T12 >> 1462239822.89853001 Symmetrize density (0.00732s) started
T12 << 1462239822.89860010 Symmetrize density (0.00739s) stopped
T12 << 1462239822.90105104 Pseudo density (1139.04670s) stopped
T12 >> 1462239822.90111804 Atomic density matrices (281.69549s) started
T12 << 1462239826.02001405 Atomic density matrices (284.81439s) stopped
T12 >> 1462239826.02005005 Multipole moments (0.78520s) started
T12 << 1462239826.02941394 Multipole moments (0.79457s) stopped
T12 >> 1462239826.02943802 Normalize (0.63468s) started
T12 << 1462239826.03642201 Normalize (0.64167s) stopped
T12 >> 1462239826.03646493 Mix (38.30929s) started
T12 << 1462239826.47388101 Mix (38.74670s) stopped
T12 << 1462239826.47394991 Density (1464.05084s) stopped
T12 >> 1462239826.47398305 Hamiltonian (4063.70961s) started
T12 >> 1462239826.47400188 vbar (2.47474s) started
T12 << 1462239826.50551105 vbar (2.50625s) stopped
T12 >> 1462239826.50568104 XC 3D grid (2515.51677s) started
T12 >> 1462239826.96166110 van der Waals (2430.21754s) started
T12 >> 1462239827.07531095 semilocal (513.76995s) started
T12 << 1462239832.90410900 semilocal (519.59875s) stopped
T12 >> 1462239832.98055410 redistribute (255.17081s) started
T12 << 1462239833.96149707 redistribute (256.15175s) stopped
T12 >> 1462239833.96156907 libvdwxc nonlocal (1644.36803s) started
T12 << 1462239852.46819711 libvdwxc nonlocal (1662.87466s) stopped
T12 >> 1462239852.46828008 redistribute (256.15181s) started
T12 << 1462239855.51116705 redistribute (259.19469s) stopped
T12 << 1462239855.51225090 van der Waals (2458.76813s) stopped
T12 << 1462239855.96598911 XC 3D grid (2544.97708s) stopped
T12 >> 1462239855.96603799 Poisson (687.19542s) started
T12 << 1462239860.35820603 Poisson (691.58758s) stopped
T12 >> 1462239860.35828710 Hartree integrate/restrict (32.60032s) started
T12 << 1462239860.39616799 Hartree integrate/restrict (32.63820s) stopped
T12 >> 1462239860.39629889 Hartree integrate/restrict (32.63828s) started
T12 << 1462239860.73683405 Hartree integrate/restrict (32.97882s) stopped
T12 >> 1462239860.73716402 Atomic (212.94993s) started
T12 >> 1462239860.73911810 XC Correction (0.00285s) started
T12 << 1462239860.73916507 XC Correction (0.00289s) stopped
T12 << 1462239863.10330510 Atomic (215.31607s) stopped
T12 >> 1462239863.10338712 Communicate (612.92273s) started
T12 << 1462239869.92690110 Communicate (619.74625s) stopped
T12 << 1462239869.92693901 Hamiltonian (4107.16257s) stopped
T12 >> 1462239869.92696500 LCAO eigensolver (5873.63104s) started
T12 >> 1462239869.92697811 Potential matrix (90.71969s) started
T12 << 1462239870.88662291 Potential matrix (91.67934s) stopped
T12 >> 1462239870.88671494 DistributedAtomicCorrection (35.37108s) started
T12 << 1462239871.26289392 DistributedAtomicCorrection (35.74726s) stopped
T12 >> 1462239871.26294589 Distribute overlap matrix (632.05296s) started
T12 >> 1462239871.26296997 blocked summation (358.17190s) started
T12 << 1462239875.09528399 blocked summation (362.00422s) stopped
T12 >> 1462239875.10493493 Scalapack redistribute (272.96213s) started
T12 << 1462239878.08055711 Scalapack redistribute (275.93775s) stopped
T12 << 1462239878.08067393 Distribute overlap matrix (638.87069s) stopped
T12 >> 1462239878.08494592 Blacs Orbital Layouts (4953.36798s) started
T12 >> 1462239878.09328794 General diagonalize (4933.31573s) started
T12 << 1462239931.10902905 General diagonalize (4986.33147s) stopped
T12 >> 1462239931.10912800 Redistribute coefs (0.74768s) started
T12 << 1462239931.11809301 Redistribute coefs (0.75664s) stopped
T12 >> 1462239931.11816812 Send coefs to domains (18.46746s) started
T12 << 1462239931.96776891 Send coefs to domains (19.31706s) stopped
T12 << 1462239931.96806192 Blacs Orbital Layouts (5007.25110s) stopped
T12 >> 1462239931.96810699 Calculate projections (161.65819s) started
T12 << 1462239933.67220998 Calculate projections (163.36229s) stopped
T12 << 1462239933.67268491 LCAO eigensolver (5937.37676s) stopped
T12 >> 1462239936.80441189 Density (1464.05085s) started
T12 >> 1462239936.80442810 Pseudo density (1139.04675s) started
T12 >> 1462239936.80693412 Calculate density matrix (1070.12694s) started
T12 << 1462239948.70110393 Calculate density matrix (1082.02111s) stopped
T12 >> 1462239948.70115209 Construct density (67.11525s) started
T12 << 1462239949.44338989 Construct density (67.85749s) stopped
T12 >> 1462239949.45772600 Symmetrize density (0.00741s) started
T12 << 1462239949.45778799 Symmetrize density (0.00747s) stopped
T12 << 1462239949.45986295 Pseudo density (1151.70219s) stopped
T12 >> 1462239949.45991993 Atomic density matrices (284.81441s) started
T12 << 1462239952.62656093 Atomic density matrices (287.98105s) stopped
T12 >> 1462239952.62659502 Multipole moments (0.79458s) started
T12 << 1462239952.63558507 Multipole moments (0.80357s) stopped
T12 >> 1462239952.63560891 Normalize (0.64170s) started
T12 << 1462239952.64228296 Normalize (0.64837s) stopped
T12 >> 1462239952.64232993 Mix (38.74677s) started
T12 << 1462239953.05588293 Mix (39.16032s) stopped
T12 << 1462239953.05591798 Density (1480.30236s) stopped
T12 >> 1462239953.05594301 Hamiltonian (4107.16258s) started
T12 >> 1462239953.05595803 vbar (2.50634s) started
T12 << 1462239953.08139205 vbar (2.53177s) stopped
T12 >> 1462239953.08149910 XC 3D grid (2544.97712s) started
T12 >> 1462239953.58330297 van der Waals (2458.76815s) started
T12 >> 1462239953.69286895 semilocal (519.59880s) started
T12 << 1462239959.53116608 semilocal (525.43710s) stopped
T12 >> 1462239959.60473394 redistribute (259.19473s) started
T12 << 1462239960.55318904 redistribute (260.14319s) stopped
T12 >> 1462239960.55325508 libvdwxc nonlocal (1662.87472s) started
T12 << 1462239979.42339897 libvdwxc nonlocal (1681.74487s) stopped
T12 >> 1462239979.42346191 redistribute (260.14324s) started
T12 << 1462239982.24423409 redistribute (262.96401s) stopped
T12 << 1462239982.24519110 van der Waals (2487.43004s) stopped
T12 << 1462239982.70308089 XC 3D grid (2574.59870s) stopped
T12 >> 1462239982.70312810 Poisson (691.58764s) started
T12 << 1462239987.12254190 Poisson (696.00706s) stopped
T12 >> 1462239987.12261391 Hartree integrate/restrict (32.97885s) started
T12 << 1462239987.17719603 Hartree integrate/restrict (33.03344s) stopped
T12 >> 1462239987.17730093 Hartree integrate/restrict (33.03351s) started
T12 << 1462239987.48707795 Hartree integrate/restrict (33.34329s) stopped
T12 >> 1462239987.48742294 Atomic (215.31610s) started
T12 >> 1462239987.48894000 XC Correction (0.00291s) started
T12 << 1462239987.48895502 XC Correction (0.00292s) stopped
T12 << 1462239989.85922790 Atomic (217.68790s) stopped
T12 >> 1462239989.85930490 Communicate (619.74627s) started
T12 << 1462239996.67267990 Communicate (626.55965s) stopped
T12 << 1462239996.67271495 Hamiltonian (4150.77935s) stopped
T12 >> 1462239996.67273998 LCAO eigensolver (5937.37678s) started
T12 >> 1462239996.67275310 Potential matrix (91.67939s) started
T12 << 1462239997.64225006 Potential matrix (92.64889s) stopped
T12 >> 1462239997.64233494 DistributedAtomicCorrection (35.74729s) started
T12 << 1462239998.01506090 DistributedAtomicCorrection (36.12002s) stopped
T12 >> 1462239998.01511002 Distribute overlap matrix (638.87070s) started
T12 >> 1462239998.01513100 blocked summation (362.00425s) started
T12 << 1462240001.81052995 blocked summation (365.79965s) stopped
T12 >> 1462240001.82139611 Scalapack redistribute (275.93782s) started
T12 << 1462240004.85645509 Scalapack redistribute (278.97287s) stopped
T12 << 1462240004.85655594 Distribute overlap matrix (645.71215s) stopped
T12 >> 1462240004.86103010 Blacs Orbital Layouts (5007.25112s) started
T12 >> 1462240004.86894393 General diagonalize (4986.33155s) started
T12 << 1462240057.15679693 General diagonalize (5038.61940s) stopped
T12 >> 1462240057.15685296 Redistribute coefs (0.75671s) started
T12 << 1462240057.16491508 Redistribute coefs (0.76477s) stopped
T12 >> 1462240057.16498089 Send coefs to domains (19.31710s) started
T12 << 1462240057.29847789 Send coefs to domains (19.45060s) stopped
T12 << 1462240057.29882789 Blacs Orbital Layouts (5059.68892s) stopped
T12 >> 1462240057.29889107 Calculate projections (163.36234s) started
T12 << 1462240059.01437998 Calculate projections (165.07783s) stopped
T12 << 1462240059.01480794 LCAO eigensolver (5999.71885s) stopped
T12 >> 1462240062.13053894 Density (1480.30237s) started
T12 >> 1462240062.13055491 Pseudo density (1151.70223s) started
T12 >> 1462240062.13328791 Calculate density matrix (1082.02114s) started
T12 << 1462240074.13861203 Calculate density matrix (1094.02647s) stopped
T12 >> 1462240074.13866806 Construct density (67.85754s) started
T12 << 1462240074.88027596 Construct density (68.59915s) stopped
T12 >> 1462240074.89699602 Symmetrize density (0.00749s) started
T12 << 1462240074.89707088 Symmetrize density (0.00756s) stopped
T12 << 1462240074.89950204 Pseudo density (1164.47118s) stopped
T12 >> 1462240074.89956999 Atomic density matrices (287.98108s) started
T12 << 1462240078.06495190 Atomic density matrices (291.14646s) stopped
T12 >> 1462240078.06498790 Multipole moments (0.80359s) started
T12 << 1462240078.07422090 Multipole moments (0.81282s) stopped
T12 >> 1462240078.07424688 Normalize (0.64840s) started
T12 << 1462240078.08114696 Normalize (0.65530s) stopped
T12 >> 1462240078.08119297 Mix (39.16036s) started
T12 << 1462240078.50947809 Mix (39.58864s) stopped
T12 << 1462240078.50954103 Density (1496.68137s) stopped
T12 >> 1462240078.50956988 Hamiltonian (4150.77937s) started
T12 >> 1462240078.50958610 vbar (2.53184s) started
T12 << 1462240078.54552197 vbar (2.56777s) stopped
T12 >> 1462240078.54571700 XC 3D grid (2574.59873s) started
T12 >> 1462240079.02301407 van der Waals (2487.43006s) started
T12 >> 1462240079.13519311 semilocal (525.43716s) started
T12 << 1462240084.87076306 semilocal (531.17273s) stopped
T12 >> 1462240084.94562411 redistribute (262.96404s) started
T12 << 1462240085.97673106 redistribute (263.99515s) stopped
T12 >> 1462240085.97678399 libvdwxc nonlocal (1681.74492s) started
T12 << 1462240104.32460999 libvdwxc nonlocal (1700.09274s) stopped
T12 >> 1462240104.32469702 redistribute (263.99519s) started
T12 << 1462240107.08275390 redistribute (266.75325s) stopped
T12 << 1462240107.08379507 van der Waals (2515.49084s) stopped
T12 << 1462240107.53908801 XC 3D grid (2603.59210s) stopped
T12 >> 1462240107.53915596 Poisson (696.00711s) started
T12 << 1462240110.46655512 Poisson (698.93451s) stopped
T12 >> 1462240110.46671700 Hartree integrate/restrict (33.34334s) started
T12 << 1462240110.50471210 Hartree integrate/restrict (33.38133s) stopped
T12 >> 1462240110.50482988 Hartree integrate/restrict (33.38139s) started
T12 << 1462240110.85087490 Hartree integrate/restrict (33.72744s) stopped
T12 >> 1462240110.85135508 Atomic (217.68793s) started
T12 >> 1462240110.85307407 XC Correction (0.00294s) started
T12 << 1462240110.85309505 XC Correction (0.00296s) stopped
T12 << 1462240113.21003795 Atomic (220.04661s) stopped
T12 >> 1462240113.21012306 Communicate (626.55967s) started
T12 << 1462240120.04474306 Communicate (633.39429s) stopped
T12 << 1462240120.04477692 Hamiltonian (4192.31457s) stopped
T12 >> 1462240120.04480195 LCAO eigensolver (5999.71887s) started
T12 >> 1462240120.04481792 Potential matrix (92.64894s) started
T12 << 1462240120.99701691 Potential matrix (93.60114s) stopped
T12 >> 1462240120.99711108 DistributedAtomicCorrection (36.12006s) started
T12 << 1462240121.37341309 DistributedAtomicCorrection (36.49636s) stopped
T12 >> 1462240121.37346601 Distribute overlap matrix (645.71216s) started
T12 >> 1462240121.37349010 blocked summation (365.79968s) started
T12 << 1462240125.15024090 blocked summation (369.57643s) stopped
T12 >> 1462240125.16004300 Scalapack redistribute (278.97294s) started
T12 << 1462240128.15367389 Scalapack redistribute (281.96657s) stopped
T12 << 1462240128.15376091 Distribute overlap matrix (652.49245s) stopped
T12 >> 1462240128.15868902 Blacs Orbital Layouts (5059.68894s) started
T12 >> 1462240128.16701889 General diagonalize (5038.61944s) started
T12 << 1462240181.74656796 General diagonalize (5092.19899s) stopped
T12 >> 1462240181.74662495 Redistribute coefs (0.76482s) started
T12 << 1462240181.75454807 Redistribute coefs (0.77275s) stopped
T12 >> 1462240181.75459504 Send coefs to domains (19.45064s) started
T12 << 1462240182.39366889 Send coefs to domains (20.08971s) stopped
T12 << 1462240182.39407110 Blacs Orbital Layouts (5113.92432s) stopped
T12 >> 1462240182.39411592 Calculate projections (165.07789s) started
T12 << 1462240184.09641409 Calculate projections (166.78019s) stopped
T12 << 1462240184.09687304 LCAO eigensolver (6063.77094s) stopped
T12 << 1462240187.24008107 SCF-cycle (12061.43967s) stopped
T12 >> 1462240189.35084391 Force calculation (294.55702s) started
T12 >> 1462240189.35089993 LCAO forces (291.23044s) started
T12 >> 1462240189.35124612 Initial (0.00009s) started
T12 << 1462240189.35125709 Initial (0.00010s) stopped
T12 >> 1462240189.35708094 Get density matrix (154.81922s) started
T12 << 1462240198.44554496 Get density matrix (163.90768s) stopped
T12 >> 1462240198.44559002 Potential (23.76648s) started
T12 << 1462240204.35823989 Potential (29.67913s) stopped
T12 >> 1462240204.35829592 Get density matrix (163.90772s) started
T12 << 1462240233.70624399 Get density matrix (193.25567s) stopped
T12 >> 1462240233.70629907 Prepare TCI loop (8.36392s) started
T12 >> 1462240233.70673108 Get neighbors (7.58676s) started
T12 << 1462240235.56655502 Get neighbors (9.44659s) stopped
T12 >> 1462240235.56753397 broadcast dH (0.77446s) started
T12 << 1462240235.75503302 broadcast dH (0.96196s) stopped
T12 << 1462240235.75507307 Prepare TCI loop (10.41270s) stopped
T12 >> 1462240235.75509310 Not so complicated loop (0.46753s) started
T12 << 1462240235.86782289 Not so complicated loop (0.58026s) stopped
T12 >> 1462240235.97959590 Complicated loop (67.22340s) started
T12 << 1462240252.93712711 Complicated loop (84.18093s) stopped
T12 >> 1462240252.93803096 Wait for sum (36.13191s) started
T12 << 1462240262.09765911 Wait for sum (45.29154s) stopped
T12 << 1462240262.09769392 LCAO forces (363.97723s) stopped
T12 << 1462240262.93181992 Force calculation (368.13800s) stopped
T12 >> 1462240262.94932199 Initialization (562.02218s) started
T12 << 1462240262.94948196 Initialization (562.02234s) stopped
T12 >> 1462240262.94970894 Initialization (562.02236s) started
T12 << 1462240262.94983602 Initialization (562.02249s) stopped
T12 >> 1462240262.94996309 Initialization (562.02250s) started
T12 << 1462240262.95007992 Initialization (562.02262s) stopped
T12 >> 1462240283.19572401 Initialization (562.02264s) started
T12 >> 1462240283.33461308 Basic WFS set positions (0.39854s) started
T12 >> 1462240283.33463812 Redistribute (0.00349s) started
T12 << 1462240283.33477211 Redistribute (0.00362s) stopped
T12 << 1462240283.41456604 Basic WFS set positions (0.47849s) stopped
T12 >> 1462240283.41459203 Basis functions set positions (7.76438s) started
T12 << 1462240285.06687593 Basis functions set positions (9.41666s) stopped
T12 >> 1462240285.06722307 TCI: Calculate S, T, P (69.44773s) started
T12 << 1462240298.99247193 TCI: Calculate S, T, P (83.37298s) stopped
T12 >> 1462240298.99252701 blocked summation (77.13175s) started
T12 << 1462240314.79438901 blocked summation (92.93361s) stopped
T12 >> 1462240314.80326390 Scalapack redistribute (29.13829s) started
T12 << 1462240321.42738509 Scalapack redistribute (35.76241s) stopped
T12 >> 1462240321.42842388 blocked summation (92.93365s) started
T12 << 1462240322.47326303 blocked summation (93.97848s) stopped
T12 >> 1462240322.48299003 Scalapack redistribute (35.76247s) started
T12 << 1462240322.73876810 Scalapack redistribute (36.01825s) stopped
T12 >> 1462240322.74101710 Redistribute (0.00384s) started
T12 << 1462240322.74149394 Redistribute (0.00432s) stopped
T12 >> 1462240324.29026508 Redistribute (0.00433s) started
T12 << 1462240324.29068494 Redistribute (0.00475s) stopped
T12 >> 1462240324.30579305 LCAO WFS Initialize (364.48273s) started
T12 >> 1462240324.30587506 Density initialize from wavefunctions (57.18298s) started
T12 >> 1462240324.31377006 Calculate density matrix (40.26296s) started
T12 << 1462240334.08944011 Calculate density matrix (50.03863s) stopped
T12 >> 1462240334.08948708 Construct density (2.97653s) started
T12 << 1462240334.82642603 Construct density (3.71347s) stopped
T12 >> 1462240334.84129405 Symmetrize density (0.00032s) started
T12 << 1462240334.84135890 Symmetrize density (0.00038s) stopped
T12 << 1462240338.48567200 Density initialize from wavefunctions (71.36278s) stopped
T12 >> 1462240338.48593807 Hamiltonian (306.38548s) started
T12 >> 1462240338.48595595 vbar (0.16800s) started
T12 << 1462240338.51361489 vbar (0.19566s) stopped
T12 >> 1462240338.51374507 XC 3D grid (142.35057s) started
T12 >> 1462240338.98307204 van der Waals (137.63848s) started
T12 >> 1462240339.09675002 semilocal (29.00919s) started
T12 << 1462240344.91958308 semilocal (34.83202s) stopped
T12 >> 1462240344.99574304 redistribute (15.34000s) started
T12 << 1462240345.94869494 redistribute (16.29295s) stopped
T12 >> 1462240345.94874406 libvdwxc nonlocal (92.32879s) started
T12 << 1462240364.49555111 libvdwxc nonlocal (110.87560s) stopped
T12 >> 1462240364.49561810 redistribute (16.29299s) started
T12 << 1462240367.00420499 redistribute (18.80157s) stopped
T12 << 1462240367.00545502 van der Waals (165.66087s) stopped
T12 << 1462240367.45871902 XC 3D grid (171.29555s) stopped
T12 >> 1462240367.45878696 Poisson (105.39314s) started
T12 << 1462240383.13497591 Poisson (121.06933s) stopped
T12 >> 1462240383.13504601 Hartree integrate/restrict (1.85594s) started
T12 << 1462240383.18425488 Hartree integrate/restrict (1.90515s) stopped
T12 >> 1462240383.18430090 Hartree integrate/restrict (1.90518s) started
T12 << 1462240383.49449992 Hartree integrate/restrict (2.21538s) stopped
T12 >> 1462240383.49484491 Atomic (11.79100s) started
T12 >> 1462240383.49675393 XC Correction (0.00022s) started
T12 << 1462240383.49677300 XC Correction (0.00024s) stopped
T12 << 1462240385.82481289 Atomic (14.12097s) stopped
T12 >> 1462240385.82498503 Communicate (44.79928s) started
T12 << 1462240395.67174101 Communicate (54.64604s) stopped
T12 << 1462240395.67177200 Hamiltonian (363.57132s) stopped
T12 << 1462240395.67178988 LCAO WFS Initialize (435.84873s) stopped
T12 << 1462240395.68373108 Initialization (674.51064s) stopped
T12 >> 1462240395.70899510 SCF-cycle (12061.43969s) started
T12 >> 1462240395.70902705 LCAO eigensolver (6063.77096s) started
T12 >> 1462240395.70903897 Potential matrix (93.60119s) started
T12 << 1462240396.66957402 Potential matrix (94.56172s) stopped
T12 >> 1462240396.66964197 DistributedAtomicCorrection (36.49640s) started
T12 << 1462240397.03575110 DistributedAtomicCorrection (36.86251s) stopped
T12 >> 1462240397.03580093 Distribute overlap matrix (652.49247s) started
T12 >> 1462240397.03583097 blocked summation (369.57651s) started
T12 << 1462240400.95269799 blocked summation (373.49338s) stopped
T12 >> 1462240400.96241498 Scalapack redistribute (281.96661s) started
T12 << 1462240403.98108697 Scalapack redistribute (284.98528s) stopped
T12 << 1462240403.98119903 Distribute overlap matrix (659.43786s) stopped
T12 >> 1462240403.98509407 Blacs Orbital Layouts (5113.92434s) started
T12 >> 1462240403.99387002 General diagonalize (5092.19904s) started
T12 << 1462240460.62718606 General diagonalize (5148.83235s) stopped
T12 >> 1462240460.62723088 Redistribute coefs (0.77278s) started
T12 << 1462240460.63439202 Redistribute coefs (0.77994s) stopped
T12 >> 1462240460.63447905 Send coefs to domains (20.08975s) started
T12 << 1462240460.96244597 Send coefs to domains (20.41771s) stopped
T12 << 1462240460.96302700 Blacs Orbital Layouts (5170.90227s) stopped
T12 >> 1462240460.96305609 Calculate projections (166.78024s) started
T12 << 1462240462.66321111 Calculate projections (168.48039s) stopped
T12 << 1462240462.66356111 LCAO eigensolver (6130.72550s) stopped
T12 >> 1462240465.79187608 Density (1496.68139s) started
T12 >> 1462240465.79189110 Pseudo density (1164.47124s) started
T12 >> 1462240465.79467392 Calculate density matrix (1094.02651s) started
T12 << 1462240477.56564808 Calculate density matrix (1105.79748s) stopped
T12 >> 1462240477.56569505 Construct density (68.59921s) started
T12 << 1462240478.30495191 Construct density (69.33846s) stopped
T12 >> 1462240478.32043290 Symmetrize density (0.00758s) started
T12 << 1462240478.32049990 Symmetrize density (0.00765s) stopped
T12 << 1462240478.32242703 Pseudo density (1177.00177s) stopped
T12 >> 1462240478.32248807 Atomic density matrices (291.14649s) started
T12 << 1462240481.46142101 Atomic density matrices (294.28542s) stopped
T12 >> 1462240481.46145296 Multipole moments (0.81284s) started
T12 << 1462240481.47068810 Multipole moments (0.82207s) stopped
T12 >> 1462240481.47071099 Normalize (0.65534s) started
T12 << 1462240481.47816896 Normalize (0.66279s) stopped
T12 >> 1462240481.47821903 Mix (39.58870s) started
T12 << 1462240481.93487692 Mix (40.04536s) stopped
T12 << 1462240481.93492794 Density (1512.82444s) stopped
T12 >> 1462240481.93495607 Hamiltonian (4192.31458s) started
T12 >> 1462240481.93497109 vbar (2.56787s) started
T12 << 1462240481.95407391 vbar (2.58698s) stopped
T12 >> 1462240481.95416403 XC 3D grid (2603.59216s) started
T12 >> 1462240482.40930605 van der Waals (2515.49087s) started
T12 >> 1462240482.52215600 semilocal (531.17282s) started
T12 << 1462240488.33413410 semilocal (536.98480s) stopped
T12 >> 1462240488.40743208 redistribute (266.75329s) started
T12 << 1462240489.38913298 redistribute (267.73499s) stopped
T12 >> 1462240489.38917494 libvdwxc nonlocal (1700.09280s) started
T12 << 1462240508.11873507 libvdwxc nonlocal (1718.82236s) stopped
T12 >> 1462240508.11881089 redistribute (267.73502s) started
T12 << 1462240509.85873008 redistribute (269.47494s) stopped
T12 << 1462240509.86022997 van der Waals (2542.94179s) stopped
T12 << 1462240510.31081295 XC 3D grid (2631.94881s) stopped
T12 >> 1462240510.31085396 Poisson (698.93463s) started
T12 << 1462240520.60786295 Poisson (709.23164s) stopped
T12 >> 1462240520.60792208 Hartree integrate/restrict (33.72751s) started
T12 << 1462240520.66685510 Hartree integrate/restrict (33.78644s) stopped
T12 >> 1462240520.66689897 Hartree integrate/restrict (33.78647s) started
T12 << 1462240520.95523000 Hartree integrate/restrict (34.07480s) stopped
T12 >> 1462240520.95554399 Atomic (220.04663s) started
T12 >> 1462240520.95729995 XC Correction (0.00297s) started
T12 << 1462240520.95731497 XC Correction (0.00299s) stopped
T12 << 1462240523.33718395 Atomic (222.42827s) stopped
T12 >> 1462240523.33735800 Communicate (633.39431s) started
T12 << 1462240530.92445898 Communicate (640.98141s) stopped
T12 << 1462240530.92449093 Hamiltonian (4241.30412s) stopped
T12 >> 1462240530.92451501 LCAO eigensolver (6130.72551s) started
T12 >> 1462240530.92452788 Potential matrix (94.56176s) started
T12 << 1462240531.89089489 Potential matrix (95.52813s) stopped
T12 >> 1462240531.89098096 DistributedAtomicCorrection (36.86255s) started
T12 << 1462240532.25819898 DistributedAtomicCorrection (37.22977s) stopped
T12 >> 1462240532.25824594 Distribute overlap matrix (659.43788s) started
T12 >> 1462240532.25827098 blocked summation (373.49341s) started
T12 << 1462240536.11538911 blocked summation (377.35053s) stopped
T12 >> 1462240536.12535691 Scalapack redistribute (284.98534s) started
T12 << 1462240539.05431509 Scalapack redistribute (287.91430s) stopped
T12 << 1462240539.05441499 Distribute overlap matrix (666.23404s) stopped
T12 >> 1462240539.05868411 Blacs Orbital Layouts (5170.90229s) started
T12 >> 1462240539.06745911 General diagonalize (5148.83239s) started
T12 << 1462240592.58825207 General diagonalize (5202.35318s) stopped
T12 >> 1462240592.58832693 Redistribute coefs (0.78001s) started
T12 << 1462240592.59617901 Redistribute coefs (0.78787s) stopped
T12 >> 1462240592.59622312 Send coefs to domains (20.41775s) started
T12 << 1462240592.72783089 Send coefs to domains (20.54935s) stopped
T12 << 1462240592.72832203 Blacs Orbital Layouts (5224.57193s) stopped
T12 >> 1462240592.72834802 Calculate projections (168.48045s) started
T12 << 1462240594.42756104 Calculate projections (170.17966s) stopped
T12 << 1462240594.42792106 LCAO eigensolver (6194.22892s) stopped
T12 >> 1462240597.59497190 Density (1512.82445s) started
T12 >> 1462240597.59498692 Pseudo density (1177.00182s) started
T12 >> 1462240597.59778500 Calculate density matrix (1105.79752s) started
T12 << 1462240609.43456006 Calculate density matrix (1117.63429s) stopped
T12 >> 1462240609.43460798 Construct density (69.33851s) started
T12 << 1462240610.17203593 Construct density (70.07594s) stopped
T12 >> 1462240610.18763494 Symmetrize density (0.00767s) started
T12 << 1462240610.18770504 Symmetrize density (0.00774s) stopped
T12 << 1462240610.18964505 Pseudo density (1189.59648s) stopped
T12 >> 1462240610.18970299 Atomic density matrices (294.28545s) started
T12 << 1462240613.34638000 Atomic density matrices (297.44212s) stopped
T12 >> 1462240613.34641194 Multipole moments (0.82209s) started
T12 << 1462240613.35589004 Multipole moments (0.83157s) stopped
T12 >> 1462240613.35591698 Normalize (0.66283s) started
T12 << 1462240613.36310506 Normalize (0.67002s) stopped
T12 >> 1462240613.36316609 Mix (40.04541s) started
T12 << 1462240613.72841406 Mix (40.41066s) stopped
T12 << 1462240613.72845888 Density (1528.95794s) stopped
T12 >> 1462240613.72848296 Hamiltonian (4241.30413s) started
T12 >> 1462240613.72849798 vbar (2.58703s) started
T12 << 1462240613.75799394 vbar (2.61653s) stopped
T12 >> 1462240613.75814891 XC 3D grid (2631.94884s) started
T12 >> 1462240614.22796297 van der Waals (2542.94187s) started
T12 >> 1462240614.34274411 semilocal (536.98489s) started
T12 << 1462240620.15984511 semilocal (542.80200s) stopped
T12 >> 1462240620.24049592 redistribute (269.47498s) started
T12 << 1462240621.21903896 redistribute (270.45353s) stopped
T12 >> 1462240621.21908092 libvdwxc nonlocal (1718.82242s) started
T12 << 1462240640.09344006 libvdwxc nonlocal (1737.69678s) stopped
T12 >> 1462240640.09350204 redistribute (270.45356s) started
T12 << 1462240641.84624910 redistribute (272.20630s) stopped
T12 << 1462240641.84789300 van der Waals (2570.56180s) stopped
T12 << 1462240642.30174804 XC 3D grid (2660.49244s) stopped
T12 >> 1462240642.30179310 Poisson (709.23169s) started
T12 << 1462240651.02229691 Poisson (717.95219s) stopped
T12 >> 1462240651.02235603 Hartree integrate/restrict (34.07485s) started
T12 << 1462240651.06664705 Hartree integrate/restrict (34.11914s) stopped
T12 >> 1462240651.06668496 Hartree integrate/restrict (34.11916s) started
T12 << 1462240651.39288807 Hartree integrate/restrict (34.44537s) stopped
T12 >> 1462240651.39322495 Atomic (222.42829s) started
T12 >> 1462240651.39494109 XC Correction (0.00300s) started
T12 << 1462240651.39496803 XC Correction (0.00302s) stopped
T12 << 1462240653.76604700 Atomic (224.80112s) stopped
T12 >> 1462240653.76620889 Communicate (640.98144s) started
T12 << 1462240660.72368312 Communicate (647.93891s) stopped
T12 << 1462240660.72371697 Hamiltonian (4288.29937s) stopped
T12 >> 1462240660.72374105 LCAO eigensolver (6194.22894s) started
T12 >> 1462240660.72375393 Potential matrix (95.52818s) started
T12 << 1462240661.68942094 Potential matrix (96.49385s) stopped
T12 >> 1462240661.68950605 DistributedAtomicCorrection (37.22981s) started
T12 << 1462240662.05832696 DistributedAtomicCorrection (37.59863s) stopped
T12 >> 1462240662.05837393 Distribute overlap matrix (666.23406s) started
T12 >> 1462240662.05839896 blocked summation (377.35056s) started
T12 << 1462240665.93236899 blocked summation (381.22453s) stopped
T12 >> 1462240665.94202709 Scalapack redistribute (287.91436s) started
T12 << 1462240668.84640408 Scalapack redistribute (290.81873s) stopped
T12 << 1462240668.84649301 Distribute overlap matrix (673.02218s) stopped
T12 >> 1462240668.85068893 Blacs Orbital Layouts (5224.57195s) started
T12 >> 1462240668.85960102 General diagonalize (5202.35325s) started
T12 << 1462240719.75054193 General diagonalize (5253.24419s) stopped
T12 >> 1462240719.75059605 Redistribute coefs (0.78790s) started
T12 << 1462240719.75900412 Redistribute coefs (0.79631s) stopped
T12 >> 1462240719.75904989 Send coefs to domains (20.54939s) started
T12 << 1462240719.99215698 Send coefs to domains (20.78249s) stopped
T12 << 1462240719.99271798 Blacs Orbital Layouts (5275.71398s) stopped
T12 >> 1462240719.99274993 Calculate projections (170.17971s) started
T12 << 1462240721.70691204 Calculate projections (171.89387s) stopped
T12 << 1462240721.70738101 LCAO eigensolver (6255.21258s) stopped
T12 >> 1462240724.86756396 Density (1528.95795s) started
T12 >> 1462240724.86757994 Pseudo density (1189.59653s) started
T12 >> 1462240724.87152100 Calculate density matrix (1117.63433s) started
T12 << 1462240736.64019990 Calculate density matrix (1129.40301s) stopped
T12 >> 1462240736.64025688 Construct density (70.07599s) started
T12 << 1462240737.37956095 Construct density (70.81529s) stopped
T12 >> 1462240737.39518404 Symmetrize density (0.00776s) started
T12 << 1462240737.39525700 Symmetrize density (0.00783s) stopped
T12 << 1462240737.39764500 Pseudo density (1202.12659s) stopped
T12 >> 1462240737.39771509 Atomic density matrices (297.44215s) started
T12 << 1462240740.58080602 Atomic density matrices (300.62524s) stopped
T12 >> 1462240740.58084512 Multipole moments (0.83159s) started
T12 << 1462240740.59021592 Multipole moments (0.84096s) stopped
T12 >> 1462240740.59024501 Normalize (0.67006s) started
T12 << 1462240740.60068703 Normalize (0.68050s) stopped
T12 >> 1462240740.60075307 Mix (40.41070s) started
T12 << 1462240741.00195193 Mix (40.81190s) stopped
T12 << 1462240741.00200391 Density (1545.09239s) stopped
T12 >> 1462240741.00202990 Hamiltonian (4288.29938s) started
T12 >> 1462240741.00204492 vbar (2.61662s) started
T12 << 1462240741.03456712 vbar (2.64914s) stopped
T12 >> 1462240741.03473210 XC 3D grid (2660.49248s) started
T12 >> 1462240741.51179099 van der Waals (2570.56184s) started
T12 >> 1462240741.62479496 semilocal (542.80209s) started
T12 << 1462240747.34202290 semilocal (548.51932s) stopped
T12 >> 1462240747.41903806 redistribute (272.20635s) started
T12 << 1462240748.51083803 redistribute (273.29815s) stopped
T12 >> 1462240748.51088810 libvdwxc nonlocal (1737.69683s) started
T12 << 1462240766.81689405 libvdwxc nonlocal (1756.00284s) stopped
T12 >> 1462240766.81697893 redistribute (273.29819s) started
T12 << 1462240768.91148496 redistribute (275.39270s) stopped
T12 << 1462240768.91294789 van der Waals (2597.96299s) stopped
T12 << 1462240769.36936808 XC 3D grid (2688.82712s) stopped
T12 >> 1462240769.36942911 Poisson (717.95223s) started
T12 << 1462240777.94422007 Poisson (726.52703s) stopped
T12 >> 1462240777.94436097 Hartree integrate/restrict (34.44542s) started
T12 << 1462240777.98198390 Hartree integrate/restrict (34.48304s) stopped
T12 >> 1462240777.98213911 Hartree integrate/restrict (34.48315s) started
T12 << 1462240778.31112695 Hartree integrate/restrict (34.81214s) stopped
T12 >> 1462240778.31144190 Atomic (224.80114s) started
T12 >> 1462240778.31324506 XC Correction (0.00304s) started
T12 << 1462240778.31327510 XC Correction (0.00307s) stopped
T12 << 1462240780.68325305 Atomic (227.17295s) stopped
T12 >> 1462240780.68341899 Communicate (647.93893s) started
T12 << 1462240787.66833305 Communicate (654.92385s) stopped
T12 << 1462240787.66835999 Hamiltonian (4334.96571s) stopped
T12 >> 1462240787.66838098 LCAO eigensolver (6255.21260s) started
T12 >> 1462240787.66839409 Potential matrix (96.49390s) started
T12 << 1462240788.63114500 Potential matrix (97.45665s) stopped
T12 >> 1462240788.63122606 DistributedAtomicCorrection (37.59867s) started
T12 << 1462240788.99626207 DistributedAtomicCorrection (37.96370s) stopped
T12 >> 1462240788.99631596 Distribute overlap matrix (673.02219s) started
T12 >> 1462240788.99634004 blocked summation (381.22456s) started
T12 << 1462240792.87511611 blocked summation (385.10334s) stopped
T12 >> 1462240792.88487101 Scalapack redistribute (290.81878s) started
T12 << 1462240795.69800496 Scalapack redistribute (293.63191s) stopped
T12 << 1462240795.69815612 Distribute overlap matrix (679.72403s) stopped
T12 >> 1462240795.70420289 Blacs Orbital Layouts (5275.71400s) started
T12 >> 1462240795.71299100 General diagonalize (5253.24423s) started
T12 << 1462240849.28042293 General diagonalize (5306.81166s) stopped
T12 >> 1462240849.28047609 Redistribute coefs (0.79634s) started
T12 << 1462240849.28845906 Redistribute coefs (0.80433s) stopped
T12 >> 1462240849.28850698 Send coefs to domains (20.78253s) started
T12 << 1462240849.45112610 Send coefs to domains (20.94515s) stopped
T12 << 1462240849.45163393 Blacs Orbital Layouts (5329.46143s) stopped
T12 >> 1462240849.45166302 Calculate projections (171.89393s) started
T12 << 1462240851.16669607 Calculate projections (173.60897s) stopped
T12 << 1462240851.16709590 LCAO eigensolver (6318.71131s) stopped
T12 >> 1462240854.31636500 Density (1545.09240s) started
T12 >> 1462240854.31638002 Pseudo density (1202.12665s) started
T12 >> 1462240854.31987405 Calculate density matrix (1129.40305s) started
T12 << 1462240866.15781808 Calculate density matrix (1141.24099s) stopped
T12 >> 1462240866.15787601 Construct density (70.81535s) started
T12 << 1462240866.89818811 Construct density (71.55566s) stopped
T12 >> 1462240866.91433692 Symmetrize density (0.00785s) started
T12 << 1462240866.91440797 Symmetrize density (0.00792s) stopped
T12 << 1462240866.91678905 Pseudo density (1214.72705s) stopped
T12 >> 1462240866.91685796 Atomic density matrices (300.62527s) started
T12 << 1462240870.04618812 Atomic density matrices (303.75460s) stopped
T12 >> 1462240870.04622412 Multipole moments (0.84097s) started
T12 << 1462240870.05587697 Multipole moments (0.85063s) stopped
T12 >> 1462240870.05590796 Normalize (0.68056s) started
T12 << 1462240870.06474400 Normalize (0.68939s) stopped
T12 >> 1462240870.06479597 Mix (40.81195s) started
T12 << 1462240870.47578406 Mix (41.22294s) stopped
T12 << 1462240870.47581506 Density (1561.25185s) stopped
T12 >> 1462240870.47584295 Hamiltonian (4334.96572s) started
T12 >> 1462240870.47585797 vbar (2.64924s) started
T12 << 1462240870.50545096 vbar (2.67883s) stopped
T12 >> 1462240870.50554991 XC 3D grid (2688.82716s) started
T12 >> 1462240870.97023201 van der Waals (2597.96307s) started
T12 >> 1462240871.08843303 semilocal (548.51942s) started
T12 << 1462240876.85863900 semilocal (554.28962s) stopped
T12 >> 1462240876.93500590 redistribute (275.39275s) started
T12 << 1462240877.96734691 redistribute (276.42509s) stopped
T12 >> 1462240877.96740007 libvdwxc nonlocal (1756.00290s) started
T12 << 1462240896.22316909 libvdwxc nonlocal (1774.25867s) stopped
T12 >> 1462240896.22325206 redistribute (276.42513s) started
T12 << 1462240898.25662303 redistribute (278.45850s) stopped
T12 << 1462240898.25818610 van der Waals (2625.25102s) stopped
T12 << 1462240898.72146893 XC 3D grid (2717.04308s) stopped
T12 >> 1462240898.72153211 Poisson (726.52714s) started
T12 << 1462240907.69268298 Poisson (735.49829s) stopped
T12 >> 1462240907.69275808 Hartree integrate/restrict (34.81218s) started
T12 << 1462240907.73135710 Hartree integrate/restrict (34.85078s) stopped
T12 >> 1462240907.73143196 Hartree integrate/restrict (34.85083s) started
T12 << 1462240908.05499792 Hartree integrate/restrict (35.17440s) stopped
T12 >> 1462240908.05534005 Atomic (227.17297s) started
T12 >> 1462240908.05709696 XC Correction (0.00308s) started
T12 << 1462240908.05711508 XC Correction (0.00310s) stopped
T12 << 1462240910.42851901 Atomic (229.54615s) stopped
T12 >> 1462240910.42867303 Communicate (654.92386s) started
T12 << 1462240917.42568111 Communicate (661.92087s) stopped
T12 << 1462240917.42572188 Hamiltonian (4381.91560s) stopped
T12 >> 1462240917.42574811 LCAO eigensolver (6318.71133s) started
T12 >> 1462240917.42576194 Potential matrix (97.45670s) started
T12 << 1462240918.38438511 Potential matrix (98.41532s) stopped
T12 >> 1462240918.38448095 DistributedAtomicCorrection (37.96374s) started
T12 << 1462240918.76072097 DistributedAtomicCorrection (38.33998s) stopped
T12 >> 1462240918.76077795 Distribute overlap matrix (679.72404s) started
T12 >> 1462240918.76080203 blocked summation (385.10337s) started
T12 << 1462240922.88917804 blocked summation (389.23175s) stopped
T12 >> 1462240922.89884090 Scalapack redistribute (293.63200s) started
T12 << 1462240925.53361702 Scalapack redistribute (296.26677s) stopped
T12 << 1462240925.53375006 Distribute overlap matrix (686.49701s) stopped
T12 >> 1462240925.53803992 Blacs Orbital Layouts (5329.46145s) started
T12 >> 1462240925.54706311 General diagonalize (5306.81170s) started
T12 << 1462240978.80546308 General diagonalize (5360.07010s) stopped
T12 >> 1462240978.80551505 Redistribute coefs (0.80436s) started
T12 << 1462240978.81425309 Redistribute coefs (0.81310s) stopped
T12 >> 1462240978.81429911 Send coefs to domains (20.94519s) started
T12 << 1462240978.92763901 Send coefs to domains (21.05853s) stopped
T12 << 1462240978.92807508 Blacs Orbital Layouts (5382.85149s) stopped
T12 >> 1462240978.92813301 Calculate projections (173.60903s) started
T12 << 1462240980.64263010 Calculate projections (175.32352s) stopped
T12 << 1462240980.64301610 LCAO eigensolver (6381.92860s) stopped
T12 >> 1462240984.23175502 Density (1561.25187s) started
T12 >> 1462240984.23177099 Pseudo density (1214.72711s) started
T12 >> 1462240984.23486400 Calculate density matrix (1141.24103s) started
T12 << 1462240995.68831992 Calculate density matrix (1152.69449s) stopped
T12 >> 1462240995.68837500 Construct density (71.55572s) started
T12 << 1462240996.42802310 Construct density (72.29537s) stopped
T12 >> 1462240996.44401312 Symmetrize density (0.00794s) started
T12 << 1462240996.44408703 Symmetrize density (0.00801s) stopped
T12 << 1462240996.44644189 Pseudo density (1226.94178s) stopped
T12 >> 1462240996.44650888 Atomic density matrices (303.75463s) started
T12 << 1462240999.61458302 Atomic density matrices (306.92270s) stopped
T12 >> 1462240999.61461997 Multipole moments (0.85064s) started
T12 << 1462240999.62396407 Multipole moments (0.85999s) stopped
T12 >> 1462240999.62399197 Normalize (0.68943s) started
T12 << 1462240999.63298512 Normalize (0.69842s) stopped
T12 >> 1462240999.63307309 Mix (41.22297s) started
T12 << 1462241000.09401894 Mix (41.68392s) stopped
T12 << 1462241000.09406805 Density (1577.11418s) stopped
T12 >> 1462241000.09409308 Hamiltonian (4381.91561s) started
T12 >> 1462241000.09410810 vbar (2.67889s) started
T12 << 1462241000.12526608 vbar (2.71004s) stopped
T12 >> 1462241000.12538409 XC 3D grid (2717.04313s) started
T12 >> 1462241000.59860110 van der Waals (2625.25106s) started
T12 >> 1462241000.71633601 semilocal (554.28969s) started
T12 << 1462241006.43685508 semilocal (560.01021s) stopped
T12 >> 1462241006.51334310 redistribute (278.45854s) started
T12 << 1462241007.56820607 redistribute (279.51340s) stopped
T12 >> 1462241007.56825495 libvdwxc nonlocal (1774.25873s) started
T12 << 1462241025.83229899 libvdwxc nonlocal (1792.52278s) stopped
T12 >> 1462241025.83237290 redistribute (279.51344s) started
T12 << 1462241027.79445291 redistribute (281.47552s) stopped
T12 << 1462241027.79572392 van der Waals (2652.44819s) stopped
T12 << 1462241028.24811006 XC 3D grid (2745.16586s) stopped
T12 >> 1462241028.24815893 Poisson (735.49834s) started
T12 << 1462241034.00074410 Poisson (741.25092s) stopped
T12 >> 1462241034.00084710 Hartree integrate/restrict (35.17445s) started
T12 << 1462241034.03884196 Hartree integrate/restrict (35.21245s) stopped
T12 >> 1462241034.03891301 Hartree integrate/restrict (35.21249s) started
T12 << 1462241034.36329103 Hartree integrate/restrict (35.53687s) stopped
T12 >> 1462241034.36360693 Atomic (229.54618s) started
T12 >> 1462241034.36527205 XC Correction (0.00311s) started
T12 << 1462241034.36528802 XC Correction (0.00313s) stopped
T12 << 1462241036.73687005 Atomic (231.91944s) stopped
T12 >> 1462241036.73700690 Communicate (661.92090s) started
T12 << 1462241043.74623394 Communicate (668.93013s) stopped
T12 << 1462241043.74627709 Hamiltonian (4425.56779s) stopped
T12 >> 1462241043.74630404 LCAO eigensolver (6381.92862s) started
T12 >> 1462241043.74631691 Potential matrix (98.41537s) started
T12 << 1462241044.71211195 Potential matrix (99.38117s) stopped
T12 >> 1462241044.71220803 DistributedAtomicCorrection (38.34002s) started
T12 << 1462241045.08287191 DistributedAtomicCorrection (38.71068s) stopped
T12 >> 1462241045.08292508 Distribute overlap matrix (686.49703s) started
T12 >> 1462241045.08294892 blocked summation (389.23178s) started
T12 << 1462241048.84899211 blocked summation (392.99783s) stopped
T12 >> 1462241048.85907006 Scalapack redistribute (296.26684s) started
T12 << 1462241051.80514002 Scalapack redistribute (299.21291s) stopped
T12 << 1462241051.80528808 Distribute overlap matrix (693.21939s) stopped
T12 >> 1462241051.81014609 Blacs Orbital Layouts (5382.85151s) started
T12 >> 1462241051.81889701 General diagonalize (5360.07015s) started
T12 << 1462241104.49695301 General diagonalize (5412.74821s) stopped
T12 >> 1462241104.49702811 Redistribute coefs (0.81314s) started
T12 << 1462241104.50542307 Redistribute coefs (0.82153s) stopped
T12 >> 1462241104.50547004 Send coefs to domains (21.05857s) started
T12 << 1462241104.61006498 Send coefs to domains (21.16316s) stopped
T12 << 1462241104.61048007 Blacs Orbital Layouts (5435.65184s) stopped
T12 >> 1462241104.61054111 Calculate projections (175.32358s) started
T12 << 1462241106.32468200 Calculate projections (177.03772s) stopped
T12 << 1462241106.32504892 LCAO eigensolver (6444.50736s) stopped
T12 >> 1462241109.47555208 Density (1577.11419s) started
T12 >> 1462241109.47556806 Pseudo density (1226.94183s) started
T12 >> 1462241109.47877407 Calculate density matrix (1152.69452s) started
T12 << 1462241121.23383307 Calculate density matrix (1164.44958s) stopped
T12 >> 1462241121.23388791 Construct density (72.29543s) started
T12 << 1462241121.97310305 Construct density (73.03464s) stopped
T12 >> 1462241121.98929691 Symmetrize density (0.00803s) started
T12 << 1462241121.98937392 Symmetrize density (0.00811s) stopped
T12 << 1462241121.99171805 Pseudo density (1239.45798s) stopped
T12 >> 1462241121.99178600 Atomic density matrices (306.92273s) started
T12 << 1462241125.20472789 Atomic density matrices (310.13567s) stopped
T12 >> 1462241125.20476604 Multipole moments (0.86000s) started
T12 << 1462241125.21438098 Multipole moments (0.86962s) stopped
T12 >> 1462241125.21440506 Normalize (0.69849s) started
T12 << 1462241125.22298193 Normalize (0.70707s) stopped
T12 >> 1462241125.22303605 Mix (41.68397s) started
T12 << 1462241125.65083289 Mix (42.11176s) stopped
T12 << 1462241125.65087891 Density (1593.28952s) stopped
T12 >> 1462241125.65090394 Hamiltonian (4425.56781s) started
T12 >> 1462241125.65091896 vbar (2.71011s) started
T12 << 1462241125.68011999 vbar (2.73932s) stopped
T12 >> 1462241125.68030810 XC 3D grid (2745.16590s) started
T12 >> 1462241126.14575100 van der Waals (2652.44822s) started
T12 >> 1462241126.26271009 semilocal (560.01033s) started
T12 << 1462241131.98913908 semilocal (565.73676s) stopped
T12 >> 1462241132.06175494 redistribute (281.47557s) started
T12 << 1462241133.09265399 redistribute (282.50646s) stopped
T12 >> 1462241133.09272790 libvdwxc nonlocal (1792.52283s) started
T12 << 1462241151.45345807 libvdwxc nonlocal (1810.88356s) stopped
T12 >> 1462241151.45353508 redistribute (282.50652s) started
T12 << 1462241153.40814710 redistribute (284.46114s) stopped
T12 << 1462241153.40947509 van der Waals (2679.71194s) stopped
T12 << 1462241153.86093497 XC 3D grid (2773.34652s) stopped
T12 >> 1462241153.86099696 Poisson (741.25099s) started
T12 << 1462241159.62889910 Poisson (747.01889s) stopped
T12 >> 1462241159.62898493 Hartree integrate/restrict (35.53692s) started
T12 << 1462241159.66655397 Hartree integrate/restrict (35.57449s) stopped
T12 >> 1462241159.66664505 Hartree integrate/restrict (35.57455s) started
T12 << 1462241159.99624109 Hartree integrate/restrict (35.90414s) stopped
T12 >> 1462241159.99655104 Atomic (231.91947s) started
T12 >> 1462241159.99831796 XC Correction (0.00314s) started
T12 << 1462241159.99840307 XC Correction (0.00322s) stopped
T12 << 1462241162.36646891 Atomic (234.28938s) stopped
T12 >> 1462241162.36658692 Communicate (668.93016s) started
T12 << 1462241169.36917901 Communicate (675.93275s) stopped
T12 << 1462241169.36922312 Hamiltonian (4469.28612s) stopped
T12 >> 1462241169.36925006 LCAO eigensolver (6444.50738s) started
T12 >> 1462241169.36926389 Potential matrix (99.38122s) started
T12 << 1462241170.33272195 Potential matrix (100.34468s) stopped
T12 >> 1462241170.33281994 DistributedAtomicCorrection (38.71072s) started
T12 << 1462241170.70227194 DistributedAtomicCorrection (39.08018s) stopped
T12 >> 1462241170.70232606 Distribute overlap matrix (693.21940s) started
T12 >> 1462241170.70234895 blocked summation (392.99788s) started
T12 << 1462241174.58253908 blocked summation (396.87807s) stopped
T12 >> 1462241174.59187007 Scalapack redistribute (299.21299s) started
T12 << 1462241177.45878911 Scalapack redistribute (302.07991s) stopped
T12 << 1462241177.45891595 Distribute overlap matrix (699.97599s) stopped
T12 >> 1462241177.46370196 Blacs Orbital Layouts (5435.65186s) started
T12 >> 1462241177.47239399 General diagonalize (5412.74827s) started
T12 << 1462241228.57467008 General diagonalize (5463.85055s) stopped
T12 >> 1462241228.57473803 Redistribute coefs (0.82157s) started
T12 << 1462241228.58306599 Redistribute coefs (0.82990s) stopped
T12 >> 1462241228.58310509 Send coefs to domains (21.16320s) started
T12 << 1462241228.66459608 Send coefs to domains (21.24469s) stopped
T12 << 1462241228.66519690 Blacs Orbital Layouts (5486.85336s) stopped
T12 >> 1462241228.66524696 Calculate projections (177.03778s) started
T12 << 1462241230.36919498 Calculate projections (178.74173s) stopped
T12 << 1462241230.36942291 LCAO eigensolver (6505.50755s) stopped
T12 >> 1462241233.52215099 Density (1593.28953s) started
T12 >> 1462241233.52216601 Pseudo density (1239.45804s) started
T12 >> 1462241233.52502704 Calculate density matrix (1164.44962s) started
T12 << 1462241245.22652793 Calculate density matrix (1176.15112s) stopped
T12 >> 1462241245.22657394 Construct density (73.03470s) started
T12 << 1462241245.96502304 Construct density (73.77315s) stopped
T12 >> 1462241245.97968698 Symmetrize density (0.00813s) started
T12 << 1462241245.97974896 Symmetrize density (0.00819s) stopped
T12 << 1462241245.98180103 Pseudo density (1251.91767s) stopped
T12 >> 1462241245.98185897 Atomic density matrices (310.13570s) started
T12 << 1462241249.18694997 Atomic density matrices (313.34080s) stopped
T12 >> 1462241249.18698311 Multipole moments (0.86963s) started
T12 << 1462241249.19655895 Multipole moments (0.87921s) stopped
T12 >> 1462241249.19658303 Normalize (0.70711s) started
T12 << 1462241249.20373011 Normalize (0.71425s) stopped
T12 >> 1462241249.20378590 Mix (42.11181s) started
T12 << 1462241249.62253189 Mix (42.53056s) stopped
T12 << 1462241249.62258911 Density (1609.38997s) stopped
T12 >> 1462241249.62261796 Hamiltonian (4469.28614s) started
T12 >> 1462241249.62263393 vbar (2.73942s) started
T12 << 1462241249.64829493 vbar (2.76508s) stopped
T12 >> 1462241249.64839005 XC 3D grid (2773.34658s) started
T12 >> 1462241250.13017797 van der Waals (2679.71198s) started
T12 >> 1462241250.24148202 semilocal (565.73687s) started
T12 << 1462241255.94875789 semilocal (571.44415s) stopped
T12 >> 1462241256.03925800 redistribute (284.46118s) started
T12 << 1462241257.13874888 redistribute (285.56067s) stopped
T12 >> 1462241257.13893890 libvdwxc nonlocal (1810.88374s) started
T12 << 1462241275.67003298 libvdwxc nonlocal (1829.41483s) stopped
T12 >> 1462241275.67009497 redistribute (285.56070s) started
T12 << 1462241277.44165802 redistribute (287.33227s) stopped
T12 << 1462241277.44356489 van der Waals (2707.02537s) stopped
T12 << 1462241277.89875197 XC 3D grid (2801.59694s) stopped
T12 >> 1462241277.89879799 Poisson (747.01895s) started
T12 << 1462241283.65577698 Poisson (752.77593s) stopped
T12 >> 1462241283.65584493 Hartree integrate/restrict (35.90419s) started
T12 << 1462241283.69768500 Hartree integrate/restrict (35.94603s) stopped
T12 >> 1462241283.69774199 Hartree integrate/restrict (35.94606s) started
T12 << 1462241284.01536989 Hartree integrate/restrict (36.26369s) stopped
T12 >> 1462241284.01571393 Atomic (234.28941s) started
T12 >> 1462241284.01729107 XC Correction (0.00324s) started
T12 << 1462241284.01731300 XC Correction (0.00326s) stopped
T12 << 1462241286.39422989 Atomic (236.66793s) stopped
T12 >> 1462241286.39432311 Communicate (675.93278s) started
T12 << 1462241293.38906288 Communicate (682.92752s) stopped
T12 << 1462241293.38909197 Hamiltonian (4513.05261s) stopped
T12 >> 1462241293.38911390 LCAO eigensolver (6505.50757s) started
T12 >> 1462241293.38912702 Potential matrix (100.34473s) started
T12 << 1462241294.35538101 Potential matrix (101.31099s) stopped
T12 >> 1462241294.35545301 DistributedAtomicCorrection (39.08022s) started
T12 << 1462241294.72996402 DistributedAtomicCorrection (39.45473s) stopped
T12 >> 1462241294.73001599 Distribute overlap matrix (699.97601s) started
T12 >> 1462241294.73003697 blocked summation (396.87813s) started
T12 << 1462241298.58523011 blocked summation (400.73332s) stopped
T12 >> 1462241298.59429908 Scalapack redistribute (302.07998s) started
T12 << 1462241301.48824811 Scalapack redistribute (304.97393s) stopped
T12 << 1462241301.48835206 Distribute overlap matrix (706.73434s) stopped
T12 >> 1462241301.49310303 Blacs Orbital Layouts (5486.85338s) started
T12 >> 1462241301.50157809 General diagonalize (5463.85060s) started
T12 << 1462241354.49409389 General diagonalize (5516.84312s) stopped
T12 >> 1462241354.49414110 Redistribute coefs (0.82993s) started
T12 << 1462241354.50151801 Redistribute coefs (0.83730s) stopped
T12 >> 1462241354.50156093 Send coefs to domains (21.24472s) started
T12 << 1462241354.63383508 Send coefs to domains (21.37700s) stopped
T12 << 1462241354.63415098 Blacs Orbital Layouts (5539.99443s) stopped
T12 >> 1462241354.63420010 Calculate projections (178.74179s) started
T12 << 1462241356.33802509 Calculate projections (180.44561s) stopped
T12 << 1462241356.33821011 LCAO eigensolver (6568.45667s) stopped
T12 >> 1462241359.48275590 Density (1609.38998s) started
T12 >> 1462241359.48277211 Pseudo density (1251.91772s) started
T12 >> 1462241359.48533797 Calculate density matrix (1176.15115s) started
T12 << 1462241371.30377603 Calculate density matrix (1187.96959s) stopped
T12 >> 1462241371.30382705 Construct density (73.77320s) started
T12 << 1462241372.04202199 Construct density (74.51140s) stopped
T12 >> 1462241372.05634809 Symmetrize density (0.00821s) started
T12 << 1462241372.05640697 Symmetrize density (0.00827s) stopped
T12 << 1462241372.05844998 Pseudo density (1264.49340s) stopped
T12 >> 1462241372.05850697 Atomic density matrices (313.34082s) started
T12 << 1462241375.23258710 Atomic density matrices (316.51490s) stopped
T12 >> 1462241375.23262000 Multipole moments (0.87923s) started
T12 << 1462241375.24217606 Multipole moments (0.88878s) stopped
T12 >> 1462241375.24220109 Normalize (0.71429s) started
T12 << 1462241375.24945593 Normalize (0.72155s) stopped
T12 >> 1462241375.24951410 Mix (42.53061s) started
T12 << 1462241375.67610097 Mix (42.95720s) stopped
T12 << 1462241375.67614508 Density (1625.58337s) stopped
T12 >> 1462241375.67617011 Hamiltonian (4513.05262s) started
T12 >> 1462241375.67618394 vbar (2.76512s) started
T12 << 1462241375.70654106 vbar (2.79548s) stopped
T12 >> 1462241375.70675492 XC 3D grid (2801.59697s) started
T12 >> 1462241376.17930293 van der Waals (2707.02541s) started
T12 >> 1462241376.29008508 semilocal (571.44428s) started
T12 << 1462241382.07830310 semilocal (577.23250s) stopped
T12 >> 1462241382.16742110 redistribute (287.33230s) started
T12 << 1462241383.18073106 redistribute (288.34561s) stopped
T12 >> 1462241383.18077302 libvdwxc nonlocal (1829.41488s) started
T12 << 1462241401.77052689 libvdwxc nonlocal (1848.00463s) stopped
T12 >> 1462241401.77058911 redistribute (288.34564s) started
T12 << 1462241403.56092596 redistribute (290.13598s) stopped
T12 << 1462241403.56257701 van der Waals (2734.40868s) stopped
T12 << 1462241404.01493597 XC 3D grid (2829.90515s) stopped
T12 >> 1462241404.01497889 Poisson (752.77598s) started
T12 << 1462241409.77776003 Poisson (758.53876s) stopped
T12 >> 1462241409.77783298 Hartree integrate/restrict (36.26375s) started
T12 << 1462241409.81953001 Hartree integrate/restrict (36.30544s) stopped
T12 >> 1462241409.81960511 Hartree integrate/restrict (36.30549s) started
T12 << 1462241410.16586304 Hartree integrate/restrict (36.65175s) stopped
T12 >> 1462241410.16627312 Atomic (236.66795s) started
T12 >> 1462241410.16809607 XC Correction (0.00327s) started
T12 << 1462241410.16811490 XC Correction (0.00329s) stopped
T12 << 1462241412.52424407 Atomic (239.02592s) stopped
T12 >> 1462241412.52432489 Communicate (682.92754s) started
T12 << 1462241419.49845409 Communicate (689.90166s) stopped
T12 << 1462241419.49848294 Hamiltonian (4556.87494s) stopped
T12 >> 1462241419.49850392 LCAO eigensolver (6568.45669s) started
T12 >> 1462241419.49851704 Potential matrix (101.31103s) started
T12 << 1462241420.45806599 Potential matrix (102.27058s) stopped
T12 >> 1462241420.45813704 DistributedAtomicCorrection (39.45476s) started
T12 << 1462241420.82885599 DistributedAtomicCorrection (39.82548s) stopped
T12 >> 1462241420.82890797 Distribute overlap matrix (706.73436s) started
T12 >> 1462241420.82892895 blocked summation (400.73335s) started
T12 << 1462241424.62444305 blocked summation (404.52886s) stopped
T12 >> 1462241424.63396907 Scalapack redistribute (304.97399s) started
T12 << 1462241427.53955197 Scalapack redistribute (307.87957s) stopped
T12 << 1462241427.53966999 Distribute overlap matrix (713.44512s) stopped
T12 >> 1462241427.54403305 Blacs Orbital Layouts (5539.99444s) started
T12 >> 1462241427.55309010 General diagonalize (5516.84316s) started
T12 << 1462241481.07132697 General diagonalize (5570.36140s) stopped
T12 >> 1462241481.07137108 Redistribute coefs (0.83734s) started
T12 << 1462241481.07897592 Redistribute coefs (0.84494s) stopped
T12 >> 1462241481.07902098 Send coefs to domains (21.37703s) started
T12 << 1462241481.18216395 Send coefs to domains (21.48017s) stopped
T12 << 1462241481.18251801 Blacs Orbital Layouts (5593.63293s) stopped
T12 >> 1462241481.18256497 Calculate projections (180.44566s) started
T12 << 1462241482.88472700 Calculate projections (182.14783s) stopped
T12 << 1462241482.88491511 LCAO eigensolver (6631.84310s) stopped
T12 >> 1462241486.03145003 Density (1625.58338s) started
T12 >> 1462241486.03146505 Pseudo density (1264.49344s) started
T12 >> 1462241486.03433800 Calculate density matrix (1187.96962s) started
T12 << 1462241497.88847589 Calculate density matrix (1199.82376s) stopped
T12 >> 1462241497.88852191 Construct density (74.51145s) started
T12 << 1462241498.62584710 Construct density (75.24877s) stopped
T12 >> 1462241498.63995290 Symmetrize density (0.00828s) started
T12 << 1462241498.64001703 Symmetrize density (0.00835s) stopped
T12 << 1462241498.64205194 Pseudo density (1277.10403s) stopped
T12 >> 1462241498.64210606 Atomic density matrices (316.51493s) started
T12 << 1462241501.83215308 Atomic density matrices (319.70497s) stopped
T12 >> 1462241501.83218503 Multipole moments (0.88880s) started
T12 << 1462241501.84201598 Multipole moments (0.89863s) stopped
T12 >> 1462241501.84204006 Normalize (0.72159s) started
T12 << 1462241501.84943104 Normalize (0.72898s) stopped
T12 >> 1462241501.84948206 Mix (42.95724s) started
T12 << 1462241502.29242706 Mix (43.40019s) stopped
T12 << 1462241502.29247594 Density (1641.84441s) stopped
T12 >> 1462241502.29250312 Hamiltonian (4556.87495s) started
T12 >> 1462241502.29251790 vbar (2.79560s) started
T12 << 1462241502.31467390 vbar (2.81776s) stopped
T12 >> 1462241502.31475997 XC 3D grid (2829.90518s) started
T12 >> 1462241502.87100101 van der Waals (2734.40876s) started
T12 >> 1462241502.98156309 semilocal (577.23258s) started
T12 << 1462241508.69984603 semilocal (582.95087s) stopped
T12 >> 1462241508.78129196 redistribute (290.13603s) started
T12 << 1462241509.86654091 redistribute (291.22128s) stopped
T12 >> 1462241509.86658597 libvdwxc nonlocal (1848.00468s) started
T12 << 1462241528.24707794 libvdwxc nonlocal (1866.38517s) stopped
T12 >> 1462241528.24714708 redistribute (291.22131s) started
T12 << 1462241529.92742801 redistribute (292.90160s) stopped
T12 << 1462241529.92858696 van der Waals (2761.46634s) stopped
T12 << 1462241530.38523102 XC 3D grid (2857.97565s) stopped
T12 >> 1462241530.38528800 Poisson (758.53882s) started
T12 << 1462241534.68951893 Poisson (762.84305s) stopped
T12 >> 1462241534.68958807 Hartree integrate/restrict (36.65181s) started
T12 << 1462241534.73352599 Hartree integrate/restrict (36.69575s) stopped
T12 >> 1462241534.73357105 Hartree integrate/restrict (36.69578s) started
T12 << 1462241535.04508305 Hartree integrate/restrict (37.00729s) stopped
T12 >> 1462241535.04538107 Atomic (239.02594s) started
T12 >> 1462241535.04714799 XC Correction (0.00330s) started
T12 << 1462241535.04717588 XC Correction (0.00333s) stopped
T12 << 1462241537.41910410 Atomic (241.39966s) stopped
T12 >> 1462241537.41918898 Communicate (689.90168s) started
T12 << 1462241544.41352391 Communicate (696.89602s) stopped
T12 << 1462241544.41354990 Hamiltonian (4598.99600s) stopped
T12 >> 1462241544.41357088 LCAO eigensolver (6631.84311s) started
T12 >> 1462241544.41358304 Potential matrix (102.27062s) started
T12 << 1462241545.38033199 Potential matrix (103.23737s) stopped
T12 >> 1462241545.38041711 DistributedAtomicCorrection (39.82552s) started
T12 << 1462241545.74808311 DistributedAtomicCorrection (40.19319s) stopped
T12 >> 1462241545.74813509 Distribute overlap matrix (713.44513s) started
T12 >> 1462241545.74815607 blocked summation (404.52889s) started
T12 << 1462241549.65160108 blocked summation (408.43234s) stopped
T12 >> 1462241549.66084194 Scalapack redistribute (307.87963s) started
T12 << 1462241552.50016308 Scalapack redistribute (310.71895s) stopped
T12 << 1462241552.50026798 Distribute overlap matrix (720.19726s) stopped
T12 >> 1462241552.50485301 Blacs Orbital Layouts (5593.63295s) started
T12 >> 1462241552.51339889 General diagonalize (5570.36143s) started
T12 << 1462241603.22639990 General diagonalize (5621.07443s) stopped
T12 >> 1462241603.22644401 Redistribute coefs (0.84498s) started
T12 << 1462241603.23373699 Redistribute coefs (0.85227s) stopped
T12 >> 1462241603.23377895 Send coefs to domains (21.48020s) started
T12 << 1462241603.41060996 Send coefs to domains (21.65703s) stopped
T12 << 1462241603.41105604 Blacs Orbital Layouts (5644.53915s) stopped
T12 >> 1462241603.41111708 Calculate projections (182.14788s) started
T12 << 1462241605.11400509 Calculate projections (183.85076s) stopped
T12 << 1462241605.11418891 LCAO eigensolver (6692.54373s) stopped
T12 >> 1462241608.25212097 Density (1641.84442s) started
T12 >> 1462241608.25213599 Pseudo density (1277.10407s) started
T12 >> 1462241608.25502205 Calculate density matrix (1199.82379s) started
T12 << 1462241620.03966308 Calculate density matrix (1211.60843s) stopped
T12 >> 1462241620.03970909 Construct density (75.24882s) started
T12 << 1462241620.77767301 Construct density (75.98679s) stopped
T12 >> 1462241620.79194403 Symmetrize density (0.00836s) started
T12 << 1462241620.79200792 Symmetrize density (0.00843s) stopped
T12 << 1462241620.79405189 Pseudo density (1289.64599s) stopped
T12 >> 1462241620.79410791 Atomic density matrices (319.70500s) started
T12 << 1462241624.07336807 Atomic density matrices (322.98426s) stopped
T12 >> 1462241624.07340002 Multipole moments (0.89865s) started
T12 << 1462241624.08314991 Multipole moments (0.90840s) stopped
T12 >> 1462241624.08317399 Normalize (0.72902s) started
T12 << 1462241624.09042192 Normalize (0.73627s) stopped
T12 >> 1462241624.09049201 Mix (43.40023s) started
T12 << 1462241624.50154591 Mix (43.81129s) stopped
T12 << 1462241624.50160503 Density (1658.09391s) stopped
T12 >> 1462241624.50163293 Hamiltonian (4598.99601s) started
T12 >> 1462241624.50164795 vbar (2.81781s) started
T12 << 1462241624.52619910 vbar (2.84236s) stopped
T12 >> 1462241624.52629089 XC 3D grid (2857.97570s) started
T12 >> 1462241625.02271605 van der Waals (2761.46638s) started
T12 >> 1462241625.13329196 semilocal (582.95100s) started
T12 << 1462241630.92200089 semilocal (588.73971s) stopped
T12 >> 1462241631.01137900 redistribute (292.90163s) started
T12 << 1462241632.00916505 redistribute (293.89942s) stopped
T12 >> 1462241632.00920892 libvdwxc nonlocal (1866.38522s) started
T12 << 1462241650.69712090 libvdwxc nonlocal (1885.07313s) stopped
T12 >> 1462241650.69717097 redistribute (293.89945s) started
T12 << 1462241652.36060500 redistribute (295.56289s) stopped
T12 << 1462241652.36168194 van der Waals (2788.80535s) stopped
T12 << 1462241652.83029509 XC 3D grid (2886.27970s) stopped
T12 >> 1462241652.83035994 Poisson (762.84310s) started
T12 << 1462241657.23016000 Poisson (767.24290s) stopped
T12 >> 1462241657.23025799 Hartree integrate/restrict (37.00732s) started
T12 << 1462241657.27975512 Hartree integrate/restrict (37.05682s) stopped
T12 >> 1462241657.27983904 Hartree integrate/restrict (37.05688s) started
T12 << 1462241657.59214306 Hartree integrate/restrict (37.36918s) stopped
T12 >> 1462241657.59245396 Atomic (241.39968s) started
T12 >> 1462241657.59397411 XC Correction (0.00335s) started
T12 << 1462241657.59399009 XC Correction (0.00336s) stopped
T12 << 1462241659.96488500 Atomic (243.77211s) stopped
T12 >> 1462241659.96496797 Communicate (696.89603s) started
T12 << 1462241666.96431088 Communicate (703.89538s) stopped
T12 << 1462241666.96434212 Hamiltonian (4641.45872s) stopped
T12 >> 1462241666.96436501 LCAO eigensolver (6692.54375s) started
T12 >> 1462241666.96437812 Potential matrix (103.23742s) started
T12 << 1462241667.92420697 Potential matrix (104.19725s) stopped
T12 >> 1462241667.92428088 DistributedAtomicCorrection (40.19323s) started
T12 << 1462241668.29214406 DistributedAtomicCorrection (40.56109s) stopped
T12 >> 1462241668.29219508 Distribute overlap matrix (720.19728s) started
T12 >> 1462241668.29221606 blocked summation (408.43237s) started
T12 << 1462241672.13943911 blocked summation (412.27959s) stopped
T12 >> 1462241672.14886403 Scalapack redistribute (310.71901s) started
T12 << 1462241675.09383798 Scalapack redistribute (313.66399s) stopped
T12 << 1462241675.09394598 Distribute overlap matrix (726.99903s) stopped
T12 >> 1462241675.09811592 Blacs Orbital Layouts (5644.53917s) started
T12 >> 1462241675.10664201 General diagonalize (5621.07447s) started
T12 << 1462241728.77273989 General diagonalize (5674.74057s) stopped
T12 >> 1462241728.77280998 Redistribute coefs (0.85230s) started
T12 << 1462241728.78059697 Redistribute coefs (0.86009s) stopped
T12 >> 1462241728.78063893 Send coefs to domains (21.65707s) started
T12 << 1462241728.88875508 Send coefs to domains (21.76518s) stopped
T12 << 1462241728.88921690 Blacs Orbital Layouts (5698.33027s) stopped
T12 >> 1462241728.88926697 Calculate projections (183.85082s) started
T12 << 1462241730.59222889 Calculate projections (185.55378s) stopped
T12 << 1462241730.59257197 LCAO eigensolver (6756.17196s) stopped
T12 >> 1462241733.72986293 Density (1658.09392s) started
T12 >> 1462241733.72987700 Pseudo density (1289.64603s) started
T12 >> 1462241733.73232794 Calculate density matrix (1211.60846s) started
T12 << 1462241745.48362994 Calculate density matrix (1223.35977s) stopped
T12 >> 1462241745.48367906 Construct density (75.98684s) started
T12 << 1462241746.22163701 Construct density (76.72479s) stopped
T12 >> 1462241746.23563194 Symmetrize density (0.00845s) started
T12 << 1462241746.23569489 Symmetrize density (0.00851s) stopped
T12 << 1462241746.23772001 Pseudo density (1302.15388s) stopped
T12 >> 1462241746.23777699 Atomic density matrices (322.98428s) started
T12 << 1462241749.38846397 Atomic density matrices (326.13497s) stopped
T12 >> 1462241749.38849711 Multipole moments (0.90841s) started
T12 << 1462241749.39806390 Multipole moments (0.91798s) stopped
T12 >> 1462241749.39808798 Normalize (0.73632s) started
T12 << 1462241749.40546894 Normalize (0.74370s) stopped
T12 >> 1462241749.40552092 Mix (43.81135s) started
T12 << 1462241749.80552101 Mix (44.21135s) stopped
T12 << 1462241749.80556893 Density (1674.16963s) stopped
T12 >> 1462241749.80559492 Hamiltonian (4641.45873s) started
T12 >> 1462241749.80560899 vbar (2.84242s) started
T12 << 1462241749.82728601 vbar (2.86410s) stopped
T12 >> 1462241749.82738090 XC 3D grid (2886.27976s) started
T12 >> 1462241750.39297295 van der Waals (2788.80537s) started
T12 >> 1462241750.50447011 semilocal (588.73979s) started
T12 << 1462241756.25018311 semilocal (594.48551s) stopped
T12 >> 1462241756.33291197 redistribute (295.56292s) started
T12 << 1462241757.38207293 redistribute (296.61208s) stopped
T12 >> 1462241757.38211703 libvdwxc nonlocal (1885.07317s) started
T12 << 1462241775.94124007 libvdwxc nonlocal (1903.63229s) stopped
T12 >> 1462241775.94130492 redistribute (296.61211s) started
T12 << 1462241777.55806088 redistribute (298.22887s) stopped
T12 << 1462241777.55949807 van der Waals (2815.97190s) stopped
T12 << 1462241778.01195407 XC 3D grid (2914.46433s) stopped
T12 >> 1462241778.01201200 Poisson (767.24297s) started
T12 << 1462241782.33478308 Poisson (771.56574s) stopped
T12 >> 1462241782.33489299 Hartree integrate/restrict (37.36922s) started
T12 << 1462241782.38333201 Hartree integrate/restrict (37.41766s) stopped
T12 >> 1462241782.38342190 Hartree integrate/restrict (37.41772s) started
T12 << 1462241782.68881607 Hartree integrate/restrict (37.72311s) stopped
T12 >> 1462241782.68914700 Atomic (243.77214s) started
T12 >> 1462241782.69082308 XC Correction (0.00337s) started
T12 << 1462241782.69085193 XC Correction (0.00340s) stopped
T12 << 1462241785.06587195 Atomic (246.14886s) stopped
T12 >> 1462241785.06595397 Communicate (703.89540s) started
T12 << 1462241792.13934112 Communicate (710.96878s) stopped
T12 << 1462241792.13937211 Hamiltonian (4683.79251s) stopped
T12 >> 1462241792.13939500 LCAO eigensolver (6756.17197s) started
T12 >> 1462241792.13940811 Potential matrix (104.19729s) started
T12 << 1462241793.10609198 Potential matrix (105.16398s) stopped
T12 >> 1462241793.10615993 DistributedAtomicCorrection (40.56113s) started
T12 << 1462241793.47126102 DistributedAtomicCorrection (40.92623s) stopped
T12 >> 1462241793.47131205 Distribute overlap matrix (726.99904s) started
T12 >> 1462241793.47133303 blocked summation (412.27962s) started
T12 << 1462241797.37040305 blocked summation (416.17869s) stopped
T12 >> 1462241797.38005495 Scalapack redistribute (313.66405s) started
T12 << 1462241800.26407599 Scalapack redistribute (316.54807s) stopped
T12 << 1462241800.26418710 Distribute overlap matrix (733.79191s) stopped
T12 >> 1462241800.26828599 Blacs Orbital Layouts (5698.33029s) started
T12 >> 1462241800.27673697 General diagonalize (5674.74063s) started
T12 << 1462241853.17028499 General diagonalize (5727.63418s) stopped
T12 >> 1462241853.17033410 Redistribute coefs (0.86012s) started
T12 << 1462241853.17769098 Redistribute coefs (0.86748s) stopped
T12 >> 1462241853.17773294 Send coefs to domains (21.76521s) started
T12 << 1462241853.26433897 Send coefs to domains (21.85182s) stopped
T12 << 1462241853.26471901 Blacs Orbital Layouts (5751.32672s) stopped
T12 >> 1462241853.26476598 Calculate projections (185.55383s) started
T12 << 1462241854.96788001 Calculate projections (187.25694s) stopped
T12 << 1462241854.96823692 LCAO eigensolver (6819.00082s) stopped
T12 >> 1462241858.10474205 Density (1674.16964s) started
T12 >> 1462241858.10475802 Pseudo density (1302.15392s) started
T12 >> 1462241858.10729694 Calculate density matrix (1223.35980s) started
T12 << 1462241869.83410501 Calculate density matrix (1235.08661s) stopped
T12 >> 1462241869.83415294 Construct density (76.72484s) started
T12 << 1462241870.57327604 Construct density (77.46397s) stopped
T12 >> 1462241870.58764410 Symmetrize density (0.00852s) started
T12 << 1462241870.58770108 Symmetrize density (0.00858s) stopped
T12 << 1462241870.58973789 Pseudo density (1314.63890s) stopped
T12 >> 1462241870.58979797 Atomic density matrices (326.13500s) started
T12 << 1462241873.80811906 Atomic density matrices (329.35332s) stopped
T12 >> 1462241873.80815101 Multipole moments (0.91800s) started
T12 << 1462241873.81774998 Multipole moments (0.92760s) stopped
T12 >> 1462241873.81779289 Normalize (0.74374s) started
T12 << 1462241873.82498002 Normalize (0.75093s) stopped
T12 >> 1462241873.82505703 Mix (44.21139s) started
T12 << 1462241874.24060798 Mix (44.62695s) stopped
T12 << 1462241874.24064302 Density (1690.30554s) stopped
T12 >> 1462241874.24066591 Hamiltonian (4683.79252s) started
T12 >> 1462241874.24067903 vbar (2.86416s) started
T12 << 1462241874.26473308 vbar (2.88821s) stopped
T12 >> 1462241874.26486492 XC 3D grid (2914.46438s) started
T12 >> 1462241874.77421093 van der Waals (2815.97193s) started
T12 >> 1462241874.88452005 semilocal (594.48562s) started
T12 << 1462241880.60598493 semilocal (600.20708s) stopped
T12 >> 1462241880.68322110 redistribute (298.22891s) started
T12 << 1462241881.73008704 redistribute (299.27577s) stopped
T12 >> 1462241881.73013306 libvdwxc nonlocal (1903.63234s) started
T12 << 1462241900.70186400 libvdwxc nonlocal (1922.60407s) stopped
T12 >> 1462241900.70193100 redistribute (299.27581s) started
T12 << 1462241902.34960294 redistribute (300.92348s) stopped
T12 << 1462241902.35071611 van der Waals (2843.54844s) stopped
T12 << 1462241902.80533695 XC 3D grid (2943.00485s) stopped
T12 >> 1462241902.80538106 Poisson (771.56583s) started
T12 << 1462241907.22023392 Poisson (775.98068s) stopped
T12 >> 1462241907.22029591 Hartree integrate/restrict (37.72316s) started
T12 << 1462241907.27489805 Hartree integrate/restrict (37.77777s) stopped
T12 >> 1462241907.27499604 Hartree integrate/restrict (37.77783s) started
T12 << 1462241907.58481312 Hartree integrate/restrict (38.08765s) stopped
T12 >> 1462241907.58511591 Atomic (246.14888s) started
T12 >> 1462241907.58661604 XC Correction (0.00342s) started
T12 << 1462241907.58663297 XC Correction (0.00343s) stopped
T12 << 1462241909.95654988 Atomic (248.52032s) stopped
T12 >> 1462241909.95662999 Communicate (710.96881s) started
T12 << 1462241916.96595097 Communicate (717.97813s) stopped
T12 << 1462241916.96598411 Hamiltonian (4726.51784s) stopped
T12 >> 1462241916.96600699 LCAO eigensolver (6819.00083s) started
T12 >> 1462241916.96602011 Potential matrix (105.16402s) started
T12 << 1462241917.93250394 Potential matrix (106.13050s) stopped
T12 >> 1462241917.93259001 DistributedAtomicCorrection (40.92627s) started
T12 << 1462241918.30314803 DistributedAtomicCorrection (41.29682s) stopped
T12 >> 1462241918.30319905 Distribute overlap matrix (733.79193s) started
T12 >> 1462241918.30322003 blocked summation (416.17872s) started
T12 << 1462241922.13397789 blocked summation (420.00948s) stopped
T12 >> 1462241922.14353800 Scalapack redistribute (316.54813s) started
T12 << 1462241925.12148905 Scalapack redistribute (319.52608s) stopped
T12 << 1462241925.12156606 Distribute overlap matrix (740.61029s) stopped
T12 >> 1462241925.12593389 Blacs Orbital Layouts (5751.32674s) started
T12 >> 1462241925.13454795 General diagonalize (5727.63422s) started
T12 << 1462241978.92665696 General diagonalize (5781.42633s) stopped
T12 >> 1462241978.92674899 Redistribute coefs (0.86751s) started
T12 << 1462241978.93556690 Redistribute coefs (0.87633s) stopped
T12 >> 1462241978.93562007 Send coefs to domains (21.85185s) started
T12 << 1462241979.03787589 Send coefs to domains (21.95411s) stopped
T12 << 1462241979.03841805 Blacs Orbital Layouts (5805.23923s) stopped
T12 >> 1462241979.03847504 Calculate projections (187.25700s) started
T12 << 1462241980.75635695 Calculate projections (188.97488s) stopped
T12 << 1462241980.75680208 LCAO eigensolver (6882.79163s) stopped
T12 >> 1462241983.89688206 Density (1690.30555s) started
T12 >> 1462241983.89689803 Pseudo density (1314.63895s) started
T12 >> 1462241983.90002990 Calculate density matrix (1235.08664s) started
T12 << 1462241995.69705606 Calculate density matrix (1246.88367s) stopped
T12 >> 1462241995.69710994 Construct density (77.46402s) started
T12 << 1462241996.43686795 Construct density (78.20378s) stopped
T12 >> 1462241996.45378709 Symmetrize density (0.00860s) started
T12 << 1462241996.45386791 Symmetrize density (0.00868s) stopped
T12 << 1462241996.45622492 Pseudo density (1327.19827s) stopped
T12 >> 1462241996.45629001 Atomic density matrices (329.35334s) started
T12 << 1462241999.58601904 Atomic density matrices (332.48307s) stopped
T12 >> 1462241999.58605599 Multipole moments (0.92763s) started
T12 << 1462241999.59580994 Multipole moments (0.93738s) stopped
T12 >> 1462241999.59583497 Normalize (0.75099s) started
T12 << 1462241999.60337806 Normalize (0.75853s) stopped
T12 >> 1462241999.60342407 Mix (44.62698s) started
T12 << 1462242000.04273200 Mix (45.06629s) stopped
T12 << 1462242000.04277992 Density (1706.45145s) stopped
T12 >> 1462242000.04280901 Hamiltonian (4726.51785s) started
T12 >> 1462242000.04282403 vbar (2.88829s) started
T12 << 1462242000.06409597 vbar (2.90957s) stopped
T12 >> 1462242000.06422997 XC 3D grid (2943.00488s) started
T12 >> 1462242000.57396102 van der Waals (2843.54846s) started
T12 >> 1462242000.68419790 semilocal (600.20717s) started
T12 << 1462242006.40901208 semilocal (605.93198s) stopped
T12 >> 1462242006.48616099 redistribute (300.92351s) started
T12 << 1462242007.54773688 redistribute (301.98509s) stopped
T12 >> 1462242007.54778290 libvdwxc nonlocal (1922.60412s) started
T12 << 1462242026.20753288 libvdwxc nonlocal (1941.26387s) stopped
T12 >> 1462242026.20759106 redistribute (301.98512s) started
T12 << 1462242027.87006402 redistribute (303.64760s) stopped
T12 << 1462242027.87131810 van der Waals (2870.84582s) stopped
T12 << 1462242028.32422709 XC 3D grid (2971.26488s) stopped
T12 >> 1462242028.32426810 Poisson (775.98073s) started
T12 << 1462242032.68388104 Poisson (780.34034s) stopped
T12 >> 1462242032.68398404 Hartree integrate/restrict (38.08768s) started
T12 << 1462242032.73272896 Hartree integrate/restrict (38.13643s) stopped
T12 >> 1462242032.73280501 Hartree integrate/restrict (38.13648s) started
T12 << 1462242033.04351711 Hartree integrate/restrict (38.44719s) stopped
T12 >> 1462242033.04385495 Atomic (248.52034s) started
T12 >> 1462242033.04537892 XC Correction (0.00344s) started
T12 << 1462242033.04539299 XC Correction (0.00346s) stopped
T12 << 1462242035.41346002 Atomic (250.88994s) stopped
T12 >> 1462242035.41353798 Communicate (717.97815s) started
T12 << 1462242042.45717096 Communicate (725.02178s) stopped
T12 << 1462242042.45720291 Hamiltonian (4768.93224s) stopped
T12 >> 1462242042.45722604 LCAO eigensolver (6882.79165s) started
T12 >> 1462242042.45723891 Potential matrix (106.13055s) started
T12 << 1462242043.43069696 Potential matrix (107.10401s) stopped
T12 >> 1462242043.43078399 DistributedAtomicCorrection (41.29686s) started
T12 << 1462242043.80425310 DistributedAtomicCorrection (41.67033s) stopped
T12 >> 1462242043.80430508 Distribute overlap matrix (740.61031s) started
T12 >> 1462242043.80432606 blocked summation (420.00951s) started
T12 << 1462242047.68135810 blocked summation (423.88654s) stopped
T12 >> 1462242047.69097710 Scalapack redistribute (319.52612s) started
T12 << 1462242050.54257202 Scalapack redistribute (322.37771s) stopped
T12 << 1462242050.54267406 Distribute overlap matrix (747.34868s) stopped
T12 >> 1462242050.54695106 Blacs Orbital Layouts (5805.23925s) started
T12 >> 1462242050.55539703 General diagonalize (5781.42640s) started
T12 << 1462242104.32583499 General diagonalize (5835.19684s) stopped
T12 >> 1462242104.32590699 Redistribute coefs (0.87637s) started
T12 << 1462242104.33330703 Redistribute coefs (0.88377s) stopped
T12 >> 1462242104.33337092 Send coefs to domains (21.95414s) started
T12 << 1462242104.43051505 Send coefs to domains (22.05129s) stopped
T12 << 1462242104.43096995 Blacs Orbital Layouts (5859.12326s) stopped
T12 >> 1462242104.43101692 Calculate projections (188.97494s) started
T12 << 1462242106.13511300 Calculate projections (190.67904s) stopped
T12 << 1462242106.13548112 LCAO eigensolver (6946.46991s) stopped
T12 >> 1462242109.29497600 Density (1706.45146s) started
T12 >> 1462242109.29499102 Pseudo density (1327.19833s) started
T12 >> 1462242109.29784298 Calculate density matrix (1246.88370s) started
T12 << 1462242121.08622503 Calculate density matrix (1258.67209s) stopped
T12 >> 1462242121.08630109 Construct density (78.20383s) started
T12 << 1462242121.82704592 Construct density (78.94458s) stopped
T12 >> 1462242121.84160590 Symmetrize density (0.00870s) started
T12 << 1462242121.84167409 Symmetrize density (0.00877s) stopped
T12 << 1462242121.84373307 Pseudo density (1339.74707s) stopped
T12 >> 1462242121.84379292 Atomic density matrices (332.48310s) started
T12 << 1462242124.98247099 Atomic density matrices (335.62178s) stopped
T12 >> 1462242124.98250294 Multipole moments (0.93740s) started
T12 << 1462242124.99196196 Multipole moments (0.94686s) stopped
T12 >> 1462242124.99198794 Normalize (0.75856s) started
T12 << 1462242124.99918890 Normalize (0.76576s) stopped
T12 >> 1462242124.99924207 Mix (45.06633s) started
T12 << 1462242125.46584606 Mix (45.53294s) stopped
T12 << 1462242125.46591806 Density (1722.62240s) stopped
T12 >> 1462242125.46594691 Hamiltonian (4768.93225s) started
T12 >> 1462242125.46596289 vbar (2.90965s) started
T12 << 1462242125.49641895 vbar (2.94010s) stopped
T12 >> 1462242125.49650788 XC 3D grid (2971.26491s) started
T12 >> 1462242125.96121192 van der Waals (2870.84586s) started
T12 >> 1462242126.07174802 semilocal (605.93210s) started
T12 << 1462242131.88254905 semilocal (611.74290s) stopped
T12 >> 1462242131.96619701 redistribute (303.64764s) started
T12 << 1462242132.92602396 redistribute (304.60747s) stopped
T12 >> 1462242132.92606497 libvdwxc nonlocal (1941.26392s) started
T12 << 1462242152.04280806 libvdwxc nonlocal (1960.38066s) stopped
T12 >> 1462242152.04286790 redistribute (304.60750s) started
T12 << 1462242153.69983292 redistribute (306.26446s) stopped
T12 << 1462242153.70109701 van der Waals (2898.58574s) stopped
T12 << 1462242154.15244102 XC 3D grid (2999.92084s) stopped
T12 >> 1462242154.15248609 Poisson (780.34042s) started
T12 << 1462242158.56637812 Poisson (784.75431s) stopped
T12 >> 1462242158.56644201 Hartree integrate/restrict (38.44724s) started
T12 << 1462242158.62121105 Hartree integrate/restrict (38.50201s) stopped
T12 >> 1462242158.62127900 Hartree integrate/restrict (38.50206s) started
T12 << 1462242158.93223691 Hartree integrate/restrict (38.81302s) stopped
T12 >> 1462242158.93255711 Atomic (250.88996s) started
T12 >> 1462242158.93411398 XC Correction (0.00347s) started
T12 << 1462242158.93413091 XC Correction (0.00348s) stopped
T12 << 1462242161.30610609 Atomic (253.26351s) stopped
T12 >> 1462242161.30619001 Communicate (725.02180s) started
T12 << 1462242168.33295202 Communicate (732.04856s) stopped
T12 << 1462242168.33298612 Hamiltonian (4811.79929s) stopped
T12 >> 1462242168.33301091 LCAO eigensolver (6946.46992s) started
T12 >> 1462242168.33302402 Potential matrix (107.10406s) started
T12 << 1462242169.30050707 Potential matrix (108.07155s) stopped
T12 >> 1462242169.30059290 DistributedAtomicCorrection (41.67037s) started
T12 << 1462242169.67851090 DistributedAtomicCorrection (42.04829s) stopped
T12 >> 1462242169.67856312 Distribute overlap matrix (747.34869s) started
T12 >> 1462242169.67858505 blocked summation (423.88658s) started
T12 << 1462242173.57439399 blocked summation (427.78239s) stopped
T12 >> 1462242173.58416390 Scalapack redistribute (322.37777s) started
T12 << 1462242176.43090796 Scalapack redistribute (325.22451s) stopped
T12 << 1462242176.43102503 Distribute overlap matrix (754.10115s) stopped
T12 >> 1462242176.43558407 Blacs Orbital Layouts (5859.12328s) started
T12 >> 1462242176.44407511 General diagonalize (5835.19690s) started
T12 << 1462242227.98033094 General diagonalize (5886.73316s) stopped
T12 >> 1462242227.98037601 Redistribute coefs (0.88382s) started
T12 << 1462242227.98770189 Redistribute coefs (0.89115s) stopped
T12 >> 1462242227.98777890 Send coefs to domains (22.05132s) started
T12 << 1462242228.20696592 Send coefs to domains (22.27051s) stopped
T12 << 1462242228.20747995 Blacs Orbital Layouts (5910.89518s) stopped
T12 >> 1462242228.20752692 Calculate projections (190.67909s) started
T12 << 1462242229.91062593 Calculate projections (192.38219s) stopped
T12 << 1462242229.91101599 LCAO eigensolver (7008.04793s) stopped
T12 << 1462242233.06256890 SCF-cycle (13898.79327s) stopped
T12 >> 1462242235.09871101 Force calculation (368.13803s) started
T12 >> 1462242235.09876299 LCAO forces (363.97724s) started
T12 >> 1462242235.09911394 Initial (0.00011s) started
T12 << 1462242235.09912491 Initial (0.00012s) stopped
T12 >> 1462242235.10491705 Get density matrix (193.25570s) started
T12 << 1462242244.21159911 Get density matrix (202.36238s) stopped
T12 >> 1462242244.21164298 Potential (29.67917s) started
T12 << 1462242250.06539893 Potential (35.53292s) stopped
T12 >> 1462242250.06546593 Get density matrix (202.36241s) started
T12 << 1462242279.39919090 Get density matrix (231.69614s) stopped
T12 >> 1462242279.39924908 Prepare TCI loop (10.41271s) started
T12 >> 1462242279.39969802 Get neighbors (9.44664s) started
T12 << 1462242281.25911403 Get neighbors (11.30606s) stopped
T12 >> 1462242281.25996590 broadcast dH (0.96199s) started
T12 << 1462242281.40663409 broadcast dH (1.10865s) stopped
T12 << 1462242281.40667391 Prepare TCI loop (12.42014s) stopped
T12 >> 1462242281.40669394 Not so complicated loop (0.58030s) started
T12 << 1462242281.52023101 Not so complicated loop (0.69383s) stopped
T12 >> 1462242281.63128805 Complicated loop (84.18096s) started
T12 << 1462242298.60756803 Complicated loop (101.15724s) stopped
T12 >> 1462242298.60847497 Wait for sum (45.29157s) started
T12 << 1462242307.79998589 Wait for sum (54.48308s) stopped
T12 << 1462242307.80002189 LCAO forces (436.67850s) stopped
T12 << 1462242308.62666702 Force calculation (441.66599s) stopped
T12 >> 1462242308.64422703 Initialization (674.51066s) started
T12 << 1462242308.64438605 Initialization (674.51082s) stopped
T12 >> 1462242308.64459109 Initialization (674.51083s) started
T12 << 1462242308.64471507 Initialization (674.51096s) stopped
T12 >> 1462242308.64484692 Initialization (674.51097s) started
T12 << 1462242308.64496708 Initialization (674.51109s) stopped
T12 >> 1462242328.96232390 Initialization (674.51111s) started
T12 >> 1462242329.02744198 Basic WFS set positions (0.47851s) started
T12 >> 1462242329.02746797 Redistribute (0.00364s) started
T12 << 1462242329.02760196 Redistribute (0.00377s) stopped
T12 << 1462242329.10802507 Basic WFS set positions (0.55910s) stopped
T12 >> 1462242329.10805011 Basis functions set positions (9.41669s) started
T12 << 1462242330.76478100 Basis functions set positions (11.07342s) stopped
T12 >> 1462242330.76509404 TCI: Calculate S, T, P (83.37301s) started
T12 << 1462242344.79542089 TCI: Calculate S, T, P (97.40334s) stopped
T12 >> 1462242344.79547811 blocked summation (93.97852s) started
T12 << 1462242361.38222694 blocked summation (110.56527s) stopped
T12 >> 1462242361.39186001 Scalapack redistribute (36.01830s) started
T12 << 1462242367.83582997 Scalapack redistribute (42.46227s) stopped
T12 >> 1462242367.83689594 blocked summation (110.56530s) started
T12 << 1462242368.81466103 blocked summation (111.54307s) stopped
T12 >> 1462242368.82474589 Scalapack redistribute (42.46233s) started
T12 << 1462242369.08940792 Scalapack redistribute (42.72699s) stopped
T12 >> 1462242369.09125805 Redistribute (0.00477s) started
T12 << 1462242369.09173989 Redistribute (0.00525s) stopped
T12 >> 1462242370.69326711 Redistribute (0.00527s) started
T12 << 1462242370.69366193 Redistribute (0.00566s) stopped
T12 >> 1462242370.70698810 LCAO WFS Initialize (435.84875s) started
T12 >> 1462242370.70707011 Density initialize from wavefunctions (71.36282s) started
T12 >> 1462242370.71038103 Calculate density matrix (50.03866s) started
T12 << 1462242380.54933906 Calculate density matrix (59.87762s) stopped
T12 >> 1462242380.54938602 Construct density (3.71352s) started
T12 << 1462242381.28539801 Construct density (4.44953s) stopped
T12 >> 1462242381.30131197 Symmetrize density (0.00040s) started
T12 << 1462242381.30136704 Symmetrize density (0.00045s) stopped
T12 << 1462242384.78908205 Density initialize from wavefunctions (85.44483s) stopped
T12 >> 1462242384.78932309 Hamiltonian (363.57133s) started
T12 >> 1462242384.78934002 vbar (0.19574s) started
T12 << 1462242384.81652093 vbar (0.22292s) stopped
T12 >> 1462242384.81665492 XC 3D grid (171.29560s) started
T12 >> 1462242385.32771611 van der Waals (165.66091s) started
T12 >> 1462242385.43792009 semilocal (34.83209s) started
T12 << 1462242391.22909904 semilocal (40.62327s) stopped
T12 >> 1462242391.31380796 redistribute (18.80161s) started
T12 << 1462242392.30786204 redistribute (19.79566s) stopped
T12 >> 1462242392.30791092 libvdwxc nonlocal (110.87565s) started
T12 << 1462242410.77286792 libvdwxc nonlocal (129.34060s) stopped
T12 >> 1462242410.77293706 redistribute (19.79570s) started
T12 << 1462242413.26351500 redistribute (22.28627s) stopped
T12 << 1462242413.26465297 van der Waals (193.59784s) stopped
T12 << 1462242413.71718192 XC 3D grid (200.19613s) stopped
T12 >> 1462242413.71724200 Poisson (121.06938s) started
T12 << 1462242426.77006197 Poisson (134.12220s) stopped
T12 >> 1462242426.77019596 Hartree integrate/restrict (2.21543s) started
T12 << 1462242426.81890798 Hartree integrate/restrict (2.26414s) stopped
T12 >> 1462242426.81900191 Hartree integrate/restrict (2.26421s) started
T12 << 1462242427.13416910 Hartree integrate/restrict (2.57937s) stopped
T12 >> 1462242427.13448405 Atomic (14.12100s) started
T12 >> 1462242427.13650489 XC Correction (0.00026s) started
T12 << 1462242427.13653588 XC Correction (0.00029s) stopped
T12 << 1462242429.46525407 Atomic (16.45177s) stopped
T12 >> 1462242429.46542311 Communicate (54.64606s) started
T12 << 1462242440.01389408 Communicate (65.19453s) stopped
T12 << 1462242440.01392198 Hamiltonian (418.79593s) stopped
T12 << 1462242440.01393509 LCAO WFS Initialize (505.15569s) stopped
T12 << 1462242440.02586699 Initialization (785.57465s) stopped
T12 >> 1462242440.05113006 SCF-cycle (13898.79329s) started
T12 >> 1462242440.05116200 LCAO eigensolver (7008.04795s) started
T12 >> 1462242440.05117512 Potential matrix (108.07160s) started
T12 << 1462242441.01089692 Potential matrix (109.03132s) stopped
T12 >> 1462242441.01098204 DistributedAtomicCorrection (42.04833s) started
T12 << 1462242441.38078308 DistributedAtomicCorrection (42.41813s) stopped
T12 >> 1462242441.38083291 Distribute overlap matrix (754.10116s) started
T12 >> 1462242441.38086390 blocked summation (427.78242s) started
T12 << 1462242445.40226793 blocked summation (431.80382s) stopped
T12 >> 1462242445.41162896 Scalapack redistribute (325.22458s) started
T12 << 1462242448.40124297 Scalapack redistribute (328.21419s) stopped
T12 << 1462242448.40134811 Distribute overlap matrix (761.12168s) stopped
T12 >> 1462242448.40574002 Blacs Orbital Layouts (5910.89520s) started
T12 >> 1462242448.41407800 General diagonalize (5886.73319s) started
T12 << 1462242505.81815195 General diagonalize (5944.13727s) stopped
T12 >> 1462242505.81821990 Redistribute coefs (0.89121s) started
T12 << 1462242505.82591391 Redistribute coefs (0.89890s) stopped
T12 >> 1462242505.82598209 Send coefs to domains (22.27054s) started
T12 << 1462242505.91846704 Send coefs to domains (22.36302s) stopped
T12 << 1462242505.91875792 Blacs Orbital Layouts (5968.40822s) stopped
T12 >> 1462242505.91878605 Calculate projections (192.38224s) started
T12 << 1462242507.61691189 Calculate projections (194.08036s) stopped
T12 << 1462242507.61727905 LCAO eigensolver (7075.61406s) stopped
T12 >> 1462242510.77214909 Density (1722.62242s) started
T12 >> 1462242510.77216411 Pseudo density (1339.74712s) started
T12 >> 1462242510.77484393 Calculate density matrix (1258.67215s) started
T12 << 1462242522.52049494 Calculate density matrix (1270.41780s) stopped
T12 >> 1462242522.52054095 Construct density (78.94463s) started
T12 << 1462242523.25773907 Construct density (79.68183s) stopped
T12 >> 1462242523.27169895 Symmetrize density (0.00878s) started
T12 << 1462242523.27175999 Symmetrize density (0.00884s) stopped
T12 << 1462242523.27371693 Pseudo density (1352.24867s) stopped
T12 >> 1462242523.27377605 Atomic density matrices (335.62180s) started
T12 << 1462242526.44419003 Atomic density matrices (338.79221s) stopped
T12 >> 1462242526.44422102 Multipole moments (0.94687s) started
T12 << 1462242526.45469499 Multipole moments (0.95735s) stopped
T12 >> 1462242526.45471907 Normalize (0.76580s) started
T12 << 1462242526.46050906 Normalize (0.77159s) stopped
T12 >> 1462242526.46059489 Mix (45.53301s) started
T12 << 1462242526.79563093 Mix (45.86804s) stopped
T12 << 1462242526.79568505 Density (1738.64595s) stopped
T12 >> 1462242526.79571009 Hamiltonian (4811.79930s) started
T12 >> 1462242526.79572511 vbar (2.94014s) started
T12 << 1462242526.81626606 vbar (2.96068s) stopped
T12 >> 1462242526.81637096 XC 3D grid (2999.92088s) started
T12 >> 1462242527.35777807 van der Waals (2898.58578s) started
T12 >> 1462242527.46572304 semilocal (611.74301s) started
T12 << 1462242533.16830611 semilocal (617.44559s) stopped
T12 >> 1462242533.24855494 redistribute (306.26451s) started
T12 << 1462242534.33424091 redistribute (307.35020s) stopped
T12 >> 1462242534.33428407 libvdwxc nonlocal (1960.38070s) started
T12 << 1462242553.03381109 libvdwxc nonlocal (1979.08023s) stopped
T12 >> 1462242553.03385997 redistribute (307.35023s) started
T12 << 1462242554.73302007 redistribute (309.04939s) stopped
T12 << 1462242554.73422503 van der Waals (2925.96222s) stopped
T12 << 1462242555.18403602 XC 3D grid (3028.28854s) stopped
T12 >> 1462242555.18407512 Poisson (784.75436s) started
T12 << 1462242565.28228998 Poisson (794.85257s) stopped
T12 >> 1462242565.28235698 Hartree integrate/restrict (38.81306s) started
T12 << 1462242565.33111501 Hartree integrate/restrict (38.86182s) stopped
T12 >> 1462242565.33120298 Hartree integrate/restrict (38.86188s) started
T12 << 1462242565.63819695 Hartree integrate/restrict (39.16887s) stopped
T12 >> 1462242565.63847399 Atomic (253.26354s) started
T12 >> 1462242565.64034009 XC Correction (0.00350s) started
T12 << 1462242565.64036608 XC Correction (0.00352s) stopped
T12 << 1462242567.98967695 Atomic (255.61474s) stopped
T12 >> 1462242567.98985600 Communicate (732.04859s) started
T12 << 1462242576.47921705 Communicate (740.53795s) stopped
T12 << 1462242576.47925210 Hamiltonian (4861.48285s) stopped
T12 >> 1462242576.47927499 LCAO eigensolver (7075.61408s) started
T12 >> 1462242576.47928691 Potential matrix (109.03137s) started
T12 << 1462242577.43359399 Potential matrix (109.98568s) stopped
T12 >> 1462242577.43368101 DistributedAtomicCorrection (42.41817s) started
T12 << 1462242577.80833602 DistributedAtomicCorrection (42.79282s) stopped
T12 >> 1462242577.80838203 Distribute overlap matrix (761.12169s) started
T12 >> 1462242577.80840802 blocked summation (431.80385s) started
T12 << 1462242581.68347001 blocked summation (435.67891s) stopped
T12 >> 1462242581.69339609 Scalapack redistribute (328.21425s) started
T12 << 1462242584.63710093 Scalapack redistribute (331.15796s) stopped
T12 << 1462242584.63719392 Distribute overlap matrix (767.95050s) stopped
T12 >> 1462242584.64140606 Blacs Orbital Layouts (5968.40824s) started
T12 >> 1462242584.65040803 General diagonalize (5944.13733s) started
T12 << 1462242639.21971703 General diagonalize (5998.70663s) stopped
T12 >> 1462242639.21975994 Redistribute coefs (0.89896s) started
T12 << 1462242639.22686505 Redistribute coefs (0.90606s) stopped
T12 >> 1462242639.22694492 Send coefs to domains (22.36305s) started
T12 << 1462242639.51435900 Send coefs to domains (22.65047s) stopped
T12 << 1462242639.51459908 Blacs Orbital Layouts (6023.28143s) stopped
T12 >> 1462242639.51462698 Calculate projections (194.08041s) started
T12 << 1462242641.21491289 Calculate projections (195.78070s) stopped
T12 << 1462242641.21510696 LCAO eigensolver (7140.34991s) stopped
T12 >> 1462242644.33517003 Density (1738.64597s) started
T12 >> 1462242644.33518410 Pseudo density (1352.24872s) started
T12 >> 1462242644.33714604 Calculate density matrix (1270.41783s) started
T12 << 1462242656.36601901 Calculate density matrix (1282.44670s) stopped
T12 >> 1462242656.36606693 Construct density (79.68188s) started
T12 << 1462242657.10440707 Construct density (80.42022s) stopped
T12 >> 1462242657.11873388 Symmetrize density (0.00886s) started
T12 << 1462242657.11880708 Symmetrize density (0.00893s) stopped
T12 << 1462242657.12080407 Pseudo density (1365.03434s) stopped
T12 >> 1462242657.12086296 Atomic density matrices (338.79224s) started
T12 << 1462242660.28656793 Atomic density matrices (341.95794s) stopped
T12 >> 1462242660.28660107 Multipole moments (0.95736s) started
T12 << 1462242660.29685903 Multipole moments (0.96762s) stopped
T12 >> 1462242660.29688311 Normalize (0.77166s) started
T12 << 1462242660.30298495 Normalize (0.77776s) stopped
T12 >> 1462242660.30307293 Mix (45.86810s) started
T12 << 1462242660.70576096 Mix (46.27079s) stopped
T12 << 1462242660.70579696 Density (1755.01659s) stopped
T12 >> 1462242660.70582294 Hamiltonian (4861.48286s) started
T12 >> 1462242660.70583797 vbar (2.96075s) started
T12 << 1462242660.73783398 vbar (2.99274s) stopped
T12 >> 1462242660.73792911 XC 3D grid (3028.28857s) started
T12 >> 1462242661.21439409 van der Waals (2925.96225s) started
T12 >> 1462242661.32188606 semilocal (617.44570s) started
T12 << 1462242667.12567091 semilocal (623.24948s) stopped
T12 >> 1462242667.21113396 redistribute (309.04944s) started
T12 << 1462242668.20913792 redistribute (310.04744s) stopped
T12 >> 1462242668.20920491 libvdwxc nonlocal (1979.08027s) started
T12 << 1462242686.81311989 libvdwxc nonlocal (1997.68418s) stopped
T12 >> 1462242686.81316996 redistribute (310.04750s) started
T12 << 1462242688.46360302 redistribute (311.69793s) stopped
T12 << 1462242688.46526790 van der Waals (2953.21312s) stopped
T12 << 1462242688.91836810 XC 3D grid (3056.46901s) stopped
T12 >> 1462242688.91841006 Poisson (794.85262s) started
T12 << 1462242700.32369709 Poisson (806.25791s) stopped
T12 >> 1462242700.32376599 Hartree integrate/restrict (39.16891s) started
T12 << 1462242700.37266994 Hartree integrate/restrict (39.21782s) stopped
T12 >> 1462242700.37272406 Hartree integrate/restrict (39.21785s) started
T12 << 1462242700.69828701 Hartree integrate/restrict (39.54342s) stopped
T12 >> 1462242700.69857001 Atomic (255.61476s) started
T12 >> 1462242700.70018005 XC Correction (0.00353s) started
T12 << 1462242700.70019603 XC Correction (0.00355s) stopped
T12 << 1462242703.03662610 Atomic (257.95282s) stopped
T12 >> 1462242703.03678489 Communicate (740.53797s) started
T12 << 1462242710.87574911 Communicate (748.37693s) stopped
T12 << 1462242710.87578106 Hamiltonian (4911.65282s) stopped
T12 >> 1462242710.87580800 LCAO eigensolver (7140.34993s) started
T12 >> 1462242710.87582111 Potential matrix (109.98573s) started
T12 << 1462242711.83311391 Potential matrix (110.94302s) stopped
T12 >> 1462242711.83318901 DistributedAtomicCorrection (42.79286s) started
T12 << 1462242712.20005894 DistributedAtomicCorrection (43.15973s) stopped
T12 >> 1462242712.20010495 Distribute overlap matrix (767.95051s) started
T12 >> 1462242712.20013094 blocked summation (435.67894s) started
T12 << 1462242716.05046701 blocked summation (439.52928s) stopped
T12 >> 1462242716.06093192 Scalapack redistribute (331.15801s) started
T12 << 1462242719.00918293 Scalapack redistribute (334.10626s) stopped
T12 << 1462242719.00926709 Distribute overlap matrix (774.75968s) stopped
T12 >> 1462242719.01319098 Blacs Orbital Layouts (6023.28145s) started
T12 >> 1462242719.02135897 General diagonalize (5998.70667s) started
T12 << 1462242772.48444009 General diagonalize (6052.16975s) stopped
T12 >> 1462242772.48448396 Redistribute coefs (0.90613s) started
T12 << 1462242772.49133110 Redistribute coefs (0.91298s) stopped
T12 >> 1462242772.49141002 Send coefs to domains (22.65050s) started
T12 << 1462242772.72453904 Send coefs to domains (22.88363s) stopped
T12 << 1462242772.72491908 Blacs Orbital Layouts (6076.99318s) stopped
T12 >> 1462242772.72494698 Calculate projections (195.78075s) started
T12 << 1462242774.42412901 Calculate projections (197.47993s) stopped
T12 << 1462242774.42448401 LCAO eigensolver (7203.89861s) stopped
T12 >> 1462242777.56489110 Density (1755.01661s) started
T12 >> 1462242777.56490707 Pseudo density (1365.03438s) started
T12 >> 1462242777.56716204 Calculate density matrix (1282.44674s) started
T12 << 1462242789.65872788 Calculate density matrix (1294.53831s) stopped
T12 >> 1462242789.65877604 Construct density (80.42027s) started
T12 << 1462242790.39557195 Construct density (81.15707s) stopped
T12 >> 1462242790.40957594 Symmetrize density (0.00897s) started
T12 << 1462242790.40964293 Symmetrize density (0.00904s) stopped
T12 << 1462242790.41161108 Pseudo density (1377.88109s) stopped
T12 >> 1462242790.41166806 Atomic density matrices (341.95797s) started
T12 << 1462242793.56773901 Atomic density matrices (345.11404s) stopped
T12 >> 1462242793.56777096 Multipole moments (0.96764s) started
T12 << 1462242793.57814193 Multipole moments (0.97801s) stopped
T12 >> 1462242793.57817292 Normalize (0.77783s) started
T12 << 1462242793.58397889 Normalize (0.78363s) stopped
T12 >> 1462242793.58406091 Mix (46.27082s) started
T12 << 1462242793.98789907 Mix (46.67466s) stopped
T12 << 1462242793.98794198 Density (1771.43966s) stopped
T12 >> 1462242793.98796797 Hamiltonian (4911.65283s) started
T12 >> 1462242793.98798299 vbar (2.99278s) started
T12 << 1462242794.02050591 vbar (3.02531s) stopped
T12 >> 1462242794.02067709 XC 3D grid (3056.46905s) started
T12 >> 1462242794.49137998 van der Waals (2953.21317s) started
T12 >> 1462242794.59730411 semilocal (623.24958s) started
T12 << 1462242800.34372091 semilocal (628.99600s) stopped
T12 >> 1462242800.43061495 redistribute (311.69796s) started
T12 << 1462242801.48640609 redistribute (312.75375s) stopped
T12 >> 1462242801.48645091 libvdwxc nonlocal (1997.68422s) started
T12 << 1462242819.84570789 libvdwxc nonlocal (2016.04348s) stopped
T12 >> 1462242819.84574890 redistribute (312.75379s) started
T12 << 1462242821.51680493 redistribute (314.42484s) stopped
T12 << 1462242821.51808596 van der Waals (2980.23987s) stopped
T12 << 1462242821.98361993 XC 3D grid (3084.43199s) stopped
T12 >> 1462242821.98367000 Poisson (806.25796s) started
T12 << 1462242827.77914596 Poisson (812.05344s) stopped
T12 >> 1462242827.77920794 Hartree integrate/restrict (39.54346s) started
T12 << 1462242827.82294297 Hartree integrate/restrict (39.58720s) stopped
T12 >> 1462242827.82303810 Hartree integrate/restrict (39.58727s) started
T12 << 1462242828.13946509 Hartree integrate/restrict (39.90369s) stopped
T12 >> 1462242828.13976192 Atomic (257.95284s) started
T12 >> 1462242828.14142489 XC Correction (0.00356s) started
T12 << 1462242828.14144897 XC Correction (0.00358s) stopped
T12 << 1462242830.50186396 Atomic (260.31494s) stopped
T12 >> 1462242830.50201511 Communicate (748.37696s) started
T12 << 1462242838.37115407 Communicate (756.24609s) stopped
T12 << 1462242838.37118912 Hamiltonian (4956.03605s) stopped
T12 >> 1462242838.37121296 LCAO eigensolver (7203.89863s) started
T12 >> 1462242838.37122512 Potential matrix (110.94306s) started
T12 << 1462242839.33543110 Potential matrix (111.90727s) stopped
T12 >> 1462242839.33550310 DistributedAtomicCorrection (43.15977s) started
T12 << 1462242839.70437789 DistributedAtomicCorrection (43.52864s) stopped
T12 >> 1462242839.70442295 Distribute overlap matrix (774.75969s) started
T12 >> 1462242839.70444989 blocked summation (439.52931s) started
T12 << 1462242843.53721809 blocked summation (443.36207s) stopped
T12 >> 1462242843.54731297 Scalapack redistribute (334.10633s) started
T12 << 1462242846.56425905 Scalapack redistribute (337.12327s) stopped
T12 << 1462242846.56436992 Distribute overlap matrix (781.61963s) stopped
T12 >> 1462242846.56870794 Blacs Orbital Layouts (6076.99319s) started
T12 >> 1462242846.57697606 General diagonalize (6052.16979s) started
T12 << 1462242899.47835302 General diagonalize (6105.07116s) stopped
T12 >> 1462242899.47842598 Redistribute coefs (0.91304s) started
T12 << 1462242899.48555493 Redistribute coefs (0.92017s) stopped
T12 >> 1462242899.48563290 Send coefs to domains (22.88366s) started
T12 << 1462242899.60974789 Send coefs to domains (23.00778s) stopped
T12 << 1462242899.60994101 Blacs Orbital Layouts (6130.03443s) stopped
T12 >> 1462242899.60996795 Calculate projections (197.47999s) started
T12 << 1462242901.30888700 Calculate projections (199.17891s) stopped
T12 << 1462242901.30910897 LCAO eigensolver (7266.83652s) stopped
T12 >> 1462242904.45145011 Density (1771.43967s) started
T12 >> 1462242904.45146608 Pseudo density (1377.88113s) started
T12 >> 1462242904.45373607 Calculate density matrix (1294.53834s) started
T12 << 1462242916.57127094 Calculate density matrix (1306.65587s) stopped
T12 >> 1462242916.57131791 Construct density (81.15712s) started
T12 << 1462242917.30869198 Construct density (81.89449s) stopped
T12 >> 1462242917.32304811 Symmetrize density (0.00906s) started
T12 << 1462242917.32311702 Symmetrize density (0.00913s) stopped
T12 << 1462242917.32505989 Pseudo density (1390.75473s) stopped
T12 >> 1462242917.32511806 Atomic density matrices (345.11406s) started
T12 << 1462242920.42282295 Atomic density matrices (348.21177s) stopped
T12 >> 1462242920.42285490 Multipole moments (0.97803s) started
T12 << 1462242920.43313003 Multipole moments (0.98830s) stopped
T12 >> 1462242920.43316007 Normalize (0.78370s) started
T12 << 1462242920.43894410 Normalize (0.78948s) stopped
T12 >> 1462242920.43899202 Mix (46.67470s) started
T12 << 1462242920.83599305 Mix (47.07170s) stopped
T12 << 1462242920.83604693 Density (1787.82427s) stopped
T12 >> 1462242920.83607411 Hamiltonian (4956.03607s) started
T12 >> 1462242920.83608699 vbar (3.02541s) started
T12 << 1462242920.85866189 vbar (3.04798s) stopped
T12 >> 1462242920.85878396 XC 3D grid (3084.43203s) started
T12 >> 1462242921.35434604 van der Waals (2980.23990s) started
T12 >> 1462242921.46182203 semilocal (628.99609s) started
T12 << 1462242927.21111202 semilocal (634.74538s) stopped
T12 >> 1462242927.30031204 redistribute (314.42488s) started
T12 << 1462242928.33221102 redistribute (315.45678s) stopped
T12 >> 1462242928.33225298 libvdwxc nonlocal (2016.04351s) started
T12 << 1462242946.89528108 libvdwxc nonlocal (2034.60654s) stopped
T12 >> 1462242946.89534307 redistribute (315.45681s) started
T12 << 1462242948.61600590 redistribute (317.17747s) stopped
T12 << 1462242948.61714005 van der Waals (3007.50269s) stopped
T12 << 1462242949.07354307 XC 3D grid (3112.64679s) stopped
T12 >> 1462242949.07358408 Poisson (812.05348s) started
T12 << 1462242960.50127506 Poisson (823.48117s) stopped
T12 >> 1462242960.50135899 Hartree integrate/restrict (39.90375s) started
T12 << 1462242960.54502797 Hartree integrate/restrict (39.94742s) stopped
T12 >> 1462242960.54507995 Hartree integrate/restrict (39.94745s) started
T12 << 1462242960.86230993 Hartree integrate/restrict (40.26468s) stopped
T12 >> 1462242960.86260104 Atomic (260.31496s) started
T12 >> 1462242960.86424398 XC Correction (0.00360s) started
T12 << 1462242960.86426711 XC Correction (0.00362s) stopped
T12 << 1462242963.23488212 Atomic (262.68724s) stopped
T12 >> 1462242963.23501801 Communicate (756.24612s) started
T12 << 1462242971.09267211 Communicate (764.10377s) stopped
T12 << 1462242971.09270597 Hamiltonian (5006.29270s) stopped
T12 >> 1462242971.09273005 LCAO eigensolver (7266.83654s) started
T12 >> 1462242971.09274292 Potential matrix (111.90731s) started
T12 << 1462242972.04973292 Potential matrix (112.86430s) stopped
T12 >> 1462242972.04980803 DistributedAtomicCorrection (43.52868s) started
T12 << 1462242972.42363596 DistributedAtomicCorrection (43.90251s) stopped
T12 >> 1462242972.42368889 Distribute overlap matrix (781.61965s) started
T12 >> 1462242972.42371106 blocked summation (443.36211s) started
T12 << 1462242976.39071703 blocked summation (447.32911s) stopped
T12 >> 1462242976.40031004 Scalapack redistribute (337.12334s) started
T12 << 1462242979.22660995 Scalapack redistribute (339.94964s) stopped
T12 << 1462242979.22670507 Distribute overlap matrix (788.42266s) stopped
T12 >> 1462242979.23100996 Blacs Orbital Layouts (6130.03445s) started
T12 >> 1462242979.23885298 General diagonalize (6105.07123s) started
T12 << 1462243032.62360907 General diagonalize (6158.45598s) stopped
T12 >> 1462243032.62365198 Redistribute coefs (0.92023s) started
T12 << 1462243032.63048601 Redistribute coefs (0.92707s) stopped
T12 >> 1462243032.63056111 Send coefs to domains (23.00781s) started
T12 << 1462243032.85190606 Send coefs to domains (23.22916s) stopped
T12 << 1462243032.85210490 Blacs Orbital Layouts (6183.65554s) stopped
T12 >> 1462243032.85213208 Calculate projections (199.17898s) started
T12 << 1462243034.55232406 Calculate projections (200.87918s) stopped
T12 << 1462243034.55251908 LCAO eigensolver (7330.29633s) stopped
T12 >> 1462243037.68702412 Density (1787.82428s) started
T12 >> 1462243037.68703890 Pseudo density (1390.75477s) started
T12 >> 1462243037.68942094 Calculate density matrix (1306.65591s) started
T12 << 1462243049.50159097 Calculate density matrix (1318.46808s) stopped
T12 >> 1462243049.50163794 Construct density (81.89455s) started
T12 << 1462243050.24057388 Construct density (82.63348s) stopped
T12 >> 1462243050.25492597 Symmetrize density (0.00914s) started
T12 << 1462243050.25499606 Symmetrize density (0.00921s) stopped
T12 << 1462243050.25694990 Pseudo density (1403.32469s) stopped
T12 >> 1462243050.25700903 Atomic density matrices (348.21179s) started
T12 << 1462243053.43405795 Atomic density matrices (351.38884s) stopped
T12 >> 1462243053.43408895 Multipole moments (0.98832s) started
T12 << 1462243053.44444108 Multipole moments (0.99867s) stopped
T12 >> 1462243053.44446707 Normalize (0.78952s) started
T12 << 1462243053.45050097 Normalize (0.79555s) stopped
T12 >> 1462243053.45059299 Mix (47.07176s) started
T12 << 1462243053.93070698 Mix (47.55187s) stopped
T12 << 1462243053.93077111 Density (1804.06803s) stopped
T12 >> 1462243053.93080997 Hamiltonian (5006.29271s) started
T12 >> 1462243053.93082905 vbar (3.04806s) started
T12 << 1462243053.95938993 vbar (3.07663s) stopped
T12 >> 1462243053.95951509 XC 3D grid (3112.64682s) started
T12 >> 1462243054.42802405 van der Waals (3007.50273s) started
T12 >> 1462243054.53755093 semilocal (634.74548s) started
T12 << 1462243060.33536601 semilocal (640.54330s) stopped
T12 >> 1462243060.41072106 redistribute (317.17751s) started
T12 << 1462243061.40514207 redistribute (318.17193s) stopped
T12 >> 1462243061.40518808 libvdwxc nonlocal (2034.60658s) started
T12 << 1462243080.07185698 libvdwxc nonlocal (2053.27325s) stopped
T12 >> 1462243080.07190394 redistribute (318.17196s) started
T12 << 1462243081.76283407 redistribute (319.86289s) stopped
T12 << 1462243081.76411700 van der Waals (3034.83882s) stopped
T12 << 1462243082.21521211 XC 3D grid (3140.90252s) stopped
T12 >> 1462243082.21525097 Poisson (823.48123s) started
T12 << 1462243087.98217106 Poisson (829.24815s) stopped
T12 >> 1462243087.98224092 Hartree integrate/restrict (40.26473s) started
T12 << 1462243088.03107095 Hartree integrate/restrict (40.31356s) stopped
T12 >> 1462243088.03111601 Hartree integrate/restrict (40.31358s) started
T12 << 1462243088.34532189 Hartree integrate/restrict (40.62779s) stopped
T12 >> 1462243088.34562993 Atomic (262.68726s) started
T12 >> 1462243088.34726906 XC Correction (0.00363s) started
T12 << 1462243088.34729505 XC Correction (0.00366s) stopped
T12 << 1462243090.72279501 Atomic (265.06443s) stopped
T12 >> 1462243090.72291899 Communicate (764.10379s) started
T12 << 1462243098.56272411 Communicate (771.94360s) stopped
T12 << 1462243098.56276011 Hamiltonian (5050.92466s) stopped
T12 >> 1462243098.56278300 LCAO eigensolver (7330.29635s) started
T12 >> 1462243098.56280088 Potential matrix (112.86435s) started
T12 << 1462243099.52663708 Potential matrix (113.82818s) stopped
T12 >> 1462243099.52670693 DistributedAtomicCorrection (43.90255s) started
T12 << 1462243099.90802097 DistributedAtomicCorrection (44.28386s) stopped
T12 >> 1462243099.90807390 Distribute overlap matrix (788.42267s) started
T12 >> 1462243099.90809488 blocked summation (447.32914s) started
T12 << 1462243103.71037102 blocked summation (451.13142s) stopped
T12 >> 1462243103.71980596 Scalapack redistribute (339.94969s) started
T12 << 1462243106.73018599 Scalapack redistribute (342.96007s) stopped
T12 << 1462243106.73028803 Distribute overlap matrix (795.24489s) stopped
T12 >> 1462243106.73463702 Blacs Orbital Layouts (6183.65556s) started
T12 >> 1462243106.74257398 General diagonalize (6158.45602s) started
T12 << 1462243157.74333692 General diagonalize (6209.45678s) stopped
T12 >> 1462243157.74338102 Redistribute coefs (0.92713s) started
T12 << 1462243157.75047898 Redistribute coefs (0.93423s) stopped
T12 >> 1462243157.75056100 Send coefs to domains (23.22919s) started
T12 << 1462243157.94765711 Send coefs to domains (23.42628s) stopped
T12 << 1462243157.94785500 Blacs Orbital Layouts (6234.86878s) stopped
T12 >> 1462243157.94789696 Calculate projections (200.87923s) started
T12 << 1462243159.64772391 Calculate projections (202.57906s) stopped
T12 << 1462243159.64790606 LCAO eigensolver (7391.38147s) stopped
T12 >> 1462243162.80541897 Density (1804.06804s) started
T12 >> 1462243162.80543494 Pseudo density (1403.32473s) started
T12 >> 1462243162.80770397 Calculate density matrix (1318.46811s) started
T12 << 1462243174.54472399 Calculate density matrix (1330.20513s) stopped
T12 >> 1462243174.54477191 Construct density (82.63354s) started
T12 << 1462243175.28167796 Construct density (83.37044s) stopped
T12 >> 1462243175.29594493 Symmetrize density (0.00923s) started
T12 << 1462243175.29600406 Symmetrize density (0.00929s) stopped
T12 << 1462243175.29795599 Pseudo density (1415.81726s) stopped
T12 >> 1462243175.29801297 Atomic density matrices (351.38887s) started
T12 << 1462243178.52971292 Atomic density matrices (354.62057s) stopped
T12 >> 1462243178.52974510 Multipole moments (0.99869s) started
T12 << 1462243178.54010010 Multipole moments (1.00904s) stopped
T12 >> 1462243178.54012299 Normalize (0.79562s) started
T12 << 1462243178.54587412 Normalize (0.80138s) stopped
T12 >> 1462243178.54595399 Mix (47.55193s) started
T12 << 1462243179.01296210 Mix (48.01894s) stopped
T12 << 1462243179.01302290 Density (1820.27565s) stopped
T12 >> 1462243179.01305389 Hamiltonian (5050.92467s) started
T12 >> 1462243179.01307011 vbar (3.07670s) started
T12 << 1462243179.04777503 vbar (3.11140s) stopped
T12 >> 1462243179.04785705 XC 3D grid (3140.90255s) started
T12 >> 1462243179.52331901 van der Waals (3034.83885s) started
T12 >> 1462243179.63268495 semilocal (640.54335s) started
T12 << 1462243185.38443208 semilocal (646.29510s) stopped
T12 >> 1462243185.47686195 redistribute (319.86293s) started
T12 << 1462243186.48393893 redistribute (320.87001s) stopped
T12 >> 1462243186.48398304 libvdwxc nonlocal (2053.27329s) started
T12 << 1462243205.01021695 libvdwxc nonlocal (2071.79952s) stopped
T12 >> 1462243205.01028204 redistribute (320.87004s) started
T12 << 1462243207.52651906 redistribute (323.38628s) stopped
T12 << 1462243207.52769589 van der Waals (3062.84323s) stopped
T12 << 1462243207.98807812 XC 3D grid (3169.84277s) stopped
T12 >> 1462243207.98813510 Poisson (829.24820s) started
T12 << 1462243213.74643111 Poisson (835.00650s) stopped
T12 >> 1462243213.74649811 Hartree integrate/restrict (40.62785s) started
T12 << 1462243213.79032302 Hartree integrate/restrict (40.67167s) stopped
T12 >> 1462243213.79040003 Hartree integrate/restrict (40.67173s) started
T12 << 1462243214.10857892 Hartree integrate/restrict (40.98990s) stopped
T12 >> 1462243214.10889411 Atomic (265.06445s) started
T12 >> 1462243214.11052608 XC Correction (0.00367s) started
T12 << 1462243214.11055398 XC Correction (0.00370s) stopped
T12 << 1462243216.48655105 Atomic (267.44211s) stopped
T12 >> 1462243216.48665810 Communicate (771.94362s) started
T12 << 1462243224.28870893 Communicate (779.74567s) stopped
T12 << 1462243224.28873897 Hamiltonian (5096.20036s) stopped
T12 >> 1462243224.28876209 LCAO eigensolver (7391.38149s) started
T12 >> 1462243224.28877401 Potential matrix (113.82822s) started
T12 << 1462243225.24223995 Potential matrix (114.78169s) stopped
T12 >> 1462243225.24231195 DistributedAtomicCorrection (44.28390s) started
T12 << 1462243225.61687112 DistributedAtomicCorrection (44.65846s) stopped
T12 >> 1462243225.61692309 Distribute overlap matrix (795.24490s) started
T12 >> 1462243225.61694598 blocked summation (451.13145s) started
T12 << 1462243229.66753411 blocked summation (455.18204s) stopped
T12 >> 1462243229.67886806 Scalapack redistribute (342.96013s) started
T12 << 1462243232.45956993 Scalapack redistribute (345.74083s) stopped
T12 << 1462243232.45967793 Distribute overlap matrix (802.08766s) stopped
T12 >> 1462243232.46422005 Blacs Orbital Layouts (6234.86880s) started
T12 >> 1462243232.47261095 General diagonalize (6209.45682s) started
T12 << 1462243286.55735493 General diagonalize (6263.54156s) stopped
T12 >> 1462243286.55739999 Redistribute coefs (0.93430s) started
T12 << 1462243286.56426406 Redistribute coefs (0.94116s) stopped
T12 >> 1462243286.56435108 Send coefs to domains (23.42632s) started
T12 << 1462243286.65600991 Send coefs to domains (23.51798s) stopped
T12 << 1462243286.65617704 Blacs Orbital Layouts (6289.06076s) stopped
T12 >> 1462243286.65623403 Calculate projections (202.57910s) started
T12 << 1462243288.35686803 Calculate projections (204.27974s) stopped
T12 << 1462243288.35721207 LCAO eigensolver (7455.44994s) stopped
T12 >> 1462243291.49700999 Density (1820.27566s) started
T12 >> 1462243291.49702406 Pseudo density (1415.81730s) started
T12 >> 1462243291.49961400 Calculate density matrix (1330.20517s) started
T12 << 1462243303.33970308 Calculate density matrix (1342.04526s) stopped
T12 >> 1462243303.33974910 Construct density (83.37050s) started
T12 << 1462243304.07609510 Construct density (84.10684s) stopped
T12 >> 1462243304.09033203 Symmetrize density (0.00931s) started
T12 << 1462243304.09039998 Symmetrize density (0.00937s) stopped
T12 << 1462243304.09236193 Pseudo density (1428.41264s) stopped
T12 >> 1462243304.09241891 Atomic density matrices (354.62059s) started
T12 << 1462243307.28311110 Atomic density matrices (357.81128s) stopped
T12 >> 1462243307.28314209 Multipole moments (1.00906s) started
T12 << 1462243307.29340506 Multipole moments (1.01932s) stopped
T12 >> 1462243307.29343009 Normalize (0.80144s) started
T12 << 1462243307.29920793 Normalize (0.80722s) stopped
T12 >> 1462243307.29927802 Mix (48.01900s) started
T12 << 1462243307.75463200 Mix (48.47435s) stopped
T12 << 1462243307.75468707 Density (1836.53334s) stopped
T12 >> 1462243307.75471401 Hamiltonian (5096.20037s) started
T12 >> 1462243307.75472903 vbar (3.11145s) started
T12 << 1462243307.78630710 vbar (3.14302s) stopped
T12 >> 1462243307.78652096 XC 3D grid (3169.84282s) started
T12 >> 1462243308.25123811 van der Waals (3062.84327s) started
T12 >> 1462243308.35913491 semilocal (646.29518s) started
T12 << 1462243314.10391307 semilocal (652.03996s) stopped
T12 >> 1462243314.19335508 redistribute (323.38632s) started
T12 << 1462243315.24247193 redistribute (324.43544s) stopped
T12 >> 1462243315.24251294 libvdwxc nonlocal (2071.79957s) started
T12 << 1462243333.76341391 libvdwxc nonlocal (2090.32047s) stopped
T12 >> 1462243333.76347303 redistribute (324.43547s) started
T12 << 1462243335.50164199 redistribute (326.17364s) stopped
T12 << 1462243335.50296688 van der Waals (3090.09500s) stopped
T12 << 1462243335.95647693 XC 3D grid (3198.01277s) stopped
T12 >> 1462243335.95651793 Poisson (835.00655s) started
T12 << 1462243341.70791507 Poisson (840.75795s) stopped
T12 >> 1462243341.70799589 Hartree integrate/restrict (40.98996s) started
T12 << 1462243341.74956989 Hartree integrate/restrict (41.03153s) stopped
T12 >> 1462243341.74961710 Hartree integrate/restrict (41.03156s) started
T12 << 1462243342.06963396 Hartree integrate/restrict (41.35158s) stopped
T12 >> 1462243342.06993508 Atomic (267.44213s) started
T12 >> 1462243342.07154489 XC Correction (0.00371s) started
T12 << 1462243342.07156491 XC Correction (0.00373s) stopped
T12 << 1462243344.45898890 Atomic (269.83119s) stopped
T12 >> 1462243344.45907807 Communicate (779.74569s) started
T12 << 1462243352.24206400 Communicate (787.52868s) stopped
T12 << 1462243352.24209809 Hamiltonian (5140.68775s) stopped
T12 >> 1462243352.24212193 LCAO eigensolver (7455.44996s) started
T12 >> 1462243352.24213409 Potential matrix (114.78173s) started
T12 << 1462243353.19628906 Potential matrix (115.73589s) stopped
T12 >> 1462243353.19636202 DistributedAtomicCorrection (44.65850s) started
T12 << 1462243353.56916904 DistributedAtomicCorrection (45.03130s) stopped
T12 >> 1462243353.56924891 Distribute overlap matrix (802.08767s) started
T12 >> 1462243353.56927299 blocked summation (455.18207s) started
T12 << 1462243357.62732100 blocked summation (459.24012s) stopped
T12 >> 1462243357.63794398 Scalapack redistribute (345.74089s) started
T12 << 1462243360.38320994 Scalapack redistribute (348.48616s) stopped
T12 << 1462243360.38327193 Distribute overlap matrix (808.90169s) stopped
T12 >> 1462243360.38758111 Blacs Orbital Layouts (6289.06078s) started
T12 >> 1462243360.39584589 General diagonalize (6263.54160s) started
T12 << 1462243411.75718188 General diagonalize (6314.90293s) stopped
T12 >> 1462243411.75724411 Redistribute coefs (0.94123s) started
T12 << 1462243411.76460004 Redistribute coefs (0.94859s) stopped
T12 >> 1462243411.76467991 Send coefs to domains (23.51801s) started
T12 << 1462243412.20684600 Send coefs to domains (23.96018s) stopped
T12 << 1462243412.20702505 Blacs Orbital Layouts (6340.88022s) stopped
T12 >> 1462243412.20708489 Calculate projections (204.27979s) started
T12 << 1462243413.90699792 Calculate projections (205.97970s) stopped
T12 << 1462243413.90735602 LCAO eigensolver (7517.11519s) stopped
T12 >> 1462243417.04226208 Density (1836.53335s) started
T12 >> 1462243417.04227710 Pseudo density (1428.41269s) started
T12 >> 1462243417.04423809 Calculate density matrix (1342.04529s) started
T12 << 1462243428.95416093 Calculate density matrix (1353.95521s) stopped
T12 >> 1462243428.95420790 Construct density (84.10689s) started
T12 << 1462243429.69128704 Construct density (84.84397s) stopped
T12 >> 1462243429.70526099 Symmetrize density (0.00939s) started
T12 << 1462243429.70532489 Symmetrize density (0.00945s) stopped
T12 << 1462243429.70730901 Pseudo density (1441.07772s) stopped
T12 >> 1462243429.70736909 Atomic density matrices (357.81131s) started
T12 << 1462243432.84930611 Atomic density matrices (360.95324s) stopped
T12 >> 1462243432.84934402 Multipole moments (1.01934s) started
T12 << 1462243432.85968494 Multipole moments (1.02968s) stopped
T12 >> 1462243432.85970902 Normalize (0.80727s) started
T12 << 1462243432.86560798 Normalize (0.81317s) stopped
T12 >> 1462243432.86569595 Mix (48.47441s) started
T12 << 1462243433.31325412 Mix (48.92196s) stopped
T12 << 1462243433.31329989 Density (1852.80439s) stopped
T12 >> 1462243433.31332397 Hamiltonian (5140.68776s) started
T12 >> 1462243433.31333995 vbar (3.14314s) started
T12 << 1462243433.34004688 vbar (3.16985s) stopped
T12 >> 1462243433.34022903 XC 3D grid (3198.01281s) started
T12 >> 1462243433.82215500 van der Waals (3090.09503s) started
T12 >> 1462243433.93195200 semilocal (652.04010s) started
T12 << 1462243439.66937089 semilocal (657.77751s) stopped
T12 >> 1462243439.75445008 redistribute (326.17369s) started
T12 << 1462243440.80914092 redistribute (327.22838s) stopped
T12 >> 1462243440.80918407 libvdwxc nonlocal (2090.32052s) started
T12 << 1462243459.14733696 libvdwxc nonlocal (2108.65867s) stopped
T12 >> 1462243459.14739990 redistribute (327.22841s) started
T12 << 1462243460.88658810 redistribute (328.96760s) stopped
T12 << 1462243460.88790011 van der Waals (3117.16078s) stopped
T12 << 1462243461.34114790 XC 3D grid (3226.01372s) stopped
T12 >> 1462243461.34118795 Poisson (840.75800s) started
T12 << 1462243467.04600406 Poisson (846.46282s) stopped
T12 >> 1462243467.04607511 Hartree integrate/restrict (41.35163s) started
T12 << 1462243467.08941007 Hartree integrate/restrict (41.39497s) stopped
T12 >> 1462243467.08948302 Hartree integrate/restrict (41.39502s) started
T12 << 1462243467.39937496 Hartree integrate/restrict (41.70491s) stopped
T12 >> 1462243467.39966607 Atomic (269.83121s) started
T12 >> 1462243467.40125489 XC Correction (0.00374s) started
T12 << 1462243467.40127301 XC Correction (0.00376s) stopped
T12 << 1462243469.78223991 Atomic (272.21378s) stopped
T12 >> 1462243469.78231907 Communicate (787.52870s) started
T12 << 1462243477.48241806 Communicate (795.22880s) stopped
T12 << 1462243477.48244905 Hamiltonian (5184.85689s) stopped
T12 >> 1462243477.48247194 LCAO eigensolver (7517.11521s) started
T12 >> 1462243477.48248506 Potential matrix (115.73593s) started
T12 << 1462243478.43660808 Potential matrix (116.69006s) stopped
T12 >> 1462243478.43669391 DistributedAtomicCorrection (45.03137s) started
T12 << 1462243478.81177306 DistributedAtomicCorrection (45.40645s) stopped
T12 >> 1462243478.81183004 Distribute overlap matrix (808.90170s) started
T12 >> 1462243478.81185102 blocked summation (459.24015s) started
T12 << 1462243482.69404101 blocked summation (463.12234s) stopped
T12 >> 1462243482.70493793 Scalapack redistribute (348.48620s) started
T12 << 1462243485.58173299 Scalapack redistribute (351.36300s) stopped
T12 << 1462243485.58181810 Distribute overlap matrix (815.67169s) stopped
T12 >> 1462243485.58613801 Blacs Orbital Layouts (6340.88024s) started
T12 >> 1462243485.59474111 General diagonalize (6314.90299s) started
T12 << 1462243538.85793304 General diagonalize (6368.16618s) stopped
T12 >> 1462243538.85800600 Redistribute coefs (0.94865s) started
T12 << 1462243538.86546302 Redistribute coefs (0.95611s) stopped
T12 >> 1462243538.86554193 Send coefs to domains (23.96021s) started
T12 << 1462243538.96668792 Send coefs to domains (24.06136s) stopped
T12 << 1462243538.96697402 Blacs Orbital Layouts (6394.26107s) stopped
T12 >> 1462243538.96701503 Calculate projections (205.97975s) started
T12 << 1462243540.66690302 Calculate projections (207.67964s) stopped
T12 << 1462243540.66726899 LCAO eigensolver (7580.30001s) stopped
T12 >> 1462243543.80834389 Density (1852.80440s) started
T12 >> 1462243543.80836010 Pseudo density (1441.07777s) started
T12 >> 1462243543.81031990 Calculate density matrix (1353.95524s) started
T12 << 1462243555.69631505 Calculate density matrix (1365.84124s) stopped
T12 >> 1462243555.69636106 Construct density (84.84402s) started
T12 << 1462243556.43366003 Construct density (85.58132s) stopped
T12 >> 1462243556.44772291 Symmetrize density (0.00947s) started
T12 << 1462243556.44778299 Symmetrize density (0.00953s) stopped
T12 << 1462243556.44977188 Pseudo density (1453.71918s) stopped
T12 >> 1462243556.44983292 Atomic density matrices (360.95327s) started
T12 << 1462243559.55416489 Atomic density matrices (364.05761s) stopped
T12 >> 1462243559.55419993 Multipole moments (1.02969s) started
T12 << 1462243559.56457400 Multipole moments (1.04007s) stopped
T12 >> 1462243559.56459808 Normalize (0.81323s) started
T12 << 1462243559.57044196 Normalize (0.81908s) stopped
T12 >> 1462243559.57051492 Mix (48.92201s) started
T12 << 1462243559.99335599 Mix (49.34485s) stopped
T12 << 1462243559.99340796 Density (1868.98947s) stopped
T12 >> 1462243559.99343705 Hamiltonian (5184.85690s) started
T12 >> 1462243559.99345303 vbar (3.16995s) started
T12 << 1462243560.01772308 vbar (3.19422s) stopped
T12 >> 1462243560.01782203 XC 3D grid (3226.01375s) started
T12 >> 1462243560.53436303 van der Waals (3117.16081s) started
T12 >> 1462243560.64467502 semilocal (657.77763s) started
T12 << 1462243566.40672708 semilocal (663.53968s) stopped
T12 >> 1462243566.48835707 redistribute (328.96763s) started
T12 << 1462243567.52253509 redistribute (330.00181s) stopped
T12 >> 1462243567.52276611 libvdwxc nonlocal (2108.65872s) started
T12 << 1462243586.04548192 libvdwxc nonlocal (2127.18143s) stopped
T12 >> 1462243586.04554296 redistribute (330.00184s) started
T12 << 1462243587.71093106 redistribute (331.66723s) stopped
T12 << 1462243587.71201396 van der Waals (3144.33846s) stopped
T12 << 1462243588.16411710 XC 3D grid (3254.16005s) stopped
T12 >> 1462243588.16417789 Poisson (846.46287s) started
T12 << 1462243593.91362596 Poisson (852.21232s) stopped
T12 >> 1462243593.91373610 Hartree integrate/restrict (41.70496s) started
T12 << 1462243593.96264291 Hartree integrate/restrict (41.75387s) stopped
T12 >> 1462243593.96270299 Hartree integrate/restrict (41.75390s) started
T12 << 1462243594.26886892 Hartree integrate/restrict (42.06007s) stopped
T12 >> 1462243594.26916909 Atomic (272.21380s) started
T12 >> 1462243594.27097893 XC Correction (0.00377s) started
T12 << 1462243594.27100301 XC Correction (0.00380s) stopped
T12 << 1462243596.65672994 Atomic (274.60136s) stopped
T12 >> 1462243596.65681195 Communicate (795.22882s) started
T12 << 1462243604.39577603 Communicate (802.96778s) stopped
T12 << 1462243604.39581609 Hamiltonian (5229.25928s) stopped
T12 >> 1462243604.39583993 LCAO eigensolver (7580.30002s) started
T12 >> 1462243604.39585304 Potential matrix (116.69011s) started
T12 << 1462243605.34727097 Potential matrix (117.64153s) stopped
T12 >> 1462243605.34734106 DistributedAtomicCorrection (45.40649s) started
T12 << 1462243605.71722889 DistributedAtomicCorrection (45.77638s) stopped
T12 >> 1462243605.71728110 Distribute overlap matrix (815.67171s) started
T12 >> 1462243605.71730208 blocked summation (463.12237s) started
T12 << 1462243609.53277111 blocked summation (466.93784s) stopped
T12 >> 1462243609.54278898 Scalapack redistribute (351.36304s) started
T12 << 1462243612.51836395 Scalapack redistribute (354.33862s) stopped
T12 << 1462243612.51844311 Distribute overlap matrix (822.47287s) stopped
T12 >> 1462243612.52295804 Blacs Orbital Layouts (6394.26109s) started
T12 >> 1462243612.53089595 General diagonalize (6368.16624s) started
T12 << 1462243663.37914705 General diagonalize (6419.01449s) stopped
T12 >> 1462243663.37919092 Redistribute coefs (0.95618s) started
T12 << 1462243663.38625312 Redistribute coefs (0.96324s) stopped
T12 >> 1462243663.38632202 Send coefs to domains (24.06139s) started
T12 << 1462243663.46667290 Send coefs to domains (24.14174s) stopped
T12 << 1462243663.46690607 Blacs Orbital Layouts (6445.20504s) stopped
T12 >> 1462243663.46694708 Calculate projections (207.67970s) started
T12 << 1462243665.16594505 Calculate projections (209.37869s) stopped
T12 << 1462243665.16630507 LCAO eigensolver (7641.07049s) stopped
T12 >> 1462243668.30038500 Density (1868.98948s) started
T12 >> 1462243668.30040002 Pseudo density (1453.71923s) started
T12 >> 1462243668.30257010 Calculate density matrix (1365.84127s) started
T12 << 1462243680.11643291 Calculate density matrix (1377.65513s) stopped
T12 >> 1462243680.11648107 Construct density (85.58137s) started
T12 << 1462243680.85300708 Construct density (86.31790s) stopped
T12 >> 1462243680.86691403 Symmetrize density (0.00955s) started
T12 << 1462243680.86697197 Symmetrize density (0.00961s) stopped
T12 << 1462243680.86893201 Pseudo density (1466.28776s) stopped
T12 >> 1462243680.86899090 Atomic density matrices (364.05763s) started
T12 << 1462243684.08949208 Atomic density matrices (367.27814s) stopped
T12 >> 1462243684.08952498 Multipole moments (1.04008s) started
T12 << 1462243684.09985304 Multipole moments (1.05041s) stopped
T12 >> 1462243684.09987903 Normalize (0.81913s) started
T12 << 1462243684.10571790 Normalize (0.82497s) stopped
T12 >> 1462243684.10579610 Mix (49.34490s) started
T12 << 1462243684.50429296 Mix (49.74340s) stopped
T12 << 1462243684.50434303 Density (1885.19344s) stopped
T12 >> 1462243684.50436902 Hamiltonian (5229.25929s) started
T12 >> 1462243684.50438404 vbar (3.19428s) started
T12 << 1462243684.52480888 vbar (3.21470s) stopped
T12 >> 1462243684.52490997 XC 3D grid (3254.16010s) started
T12 >> 1462243685.12205005 van der Waals (3144.33848s) started
T12 >> 1462243685.22822499 semilocal (663.53978s) started
T12 << 1462243690.99785495 semilocal (669.30941s) stopped
T12 >> 1462243691.08630109 redistribute (331.66728s) started
T12 << 1462243692.11356401 redistribute (332.69454s) stopped
T12 >> 1462243692.11378407 libvdwxc nonlocal (2127.18148s) started
T12 << 1462243710.62556791 libvdwxc nonlocal (2145.69326s) stopped
T12 >> 1462243710.62563396 redistribute (332.69475s) started
T12 << 1462243712.35324097 redistribute (334.42236s) stopped
T12 << 1462243712.35473108 van der Waals (3171.57116s) stopped
T12 << 1462243712.81314802 XC 3D grid (3282.44834s) stopped
T12 >> 1462243712.81318688 Poisson (852.21241s) started
T12 << 1462243717.15310693 Poisson (856.55233s) stopped
T12 >> 1462243717.15320802 Hartree integrate/restrict (42.06012s) started
T12 << 1462243717.19710398 Hartree integrate/restrict (42.10402s) stopped
T12 >> 1462243717.19719696 Hartree integrate/restrict (42.10408s) started
T12 << 1462243717.50691795 Hartree integrate/restrict (42.41380s) stopped
T12 >> 1462243717.50721002 Atomic (274.60138s) started
T12 >> 1462243717.50875306 XC Correction (0.00384s) started
T12 << 1462243717.50877404 XC Correction (0.00386s) stopped
T12 << 1462243719.88999605 Atomic (276.98417s) stopped
T12 >> 1462243719.89007902 Communicate (802.96781s) started
T12 << 1462243727.62674093 Communicate (810.70447s) stopped
T12 << 1462243727.62677407 Hamiltonian (5272.38170s) stopped
T12 >> 1462243727.62680197 LCAO eigensolver (7641.07051s) started
T12 >> 1462243727.62681508 Potential matrix (117.64157s) started
T12 << 1462243728.58468699 Potential matrix (118.59944s) stopped
T12 >> 1462243728.58475995 DistributedAtomicCorrection (45.77642s) started
T12 << 1462243728.95398593 DistributedAtomicCorrection (46.14564s) stopped
T12 >> 1462243728.95403910 Distribute overlap matrix (822.47288s) started
T12 >> 1462243728.95406008 blocked summation (466.93787s) started
T12 << 1462243732.74969792 blocked summation (470.73351s) stopped
T12 >> 1462243732.76110697 Scalapack redistribute (354.33865s) started
T12 << 1462243735.82254410 Scalapack redistribute (357.40009s) stopped
T12 << 1462243735.82265496 Distribute overlap matrix (829.34150s) stopped
T12 >> 1462243735.82710290 Blacs Orbital Layouts (6445.20506s) started
T12 >> 1462243735.83579206 General diagonalize (6419.01453s) started
T12 << 1462243786.57549810 General diagonalize (6469.75423s) stopped
T12 >> 1462243786.57554197 Redistribute coefs (0.96329s) started
T12 << 1462243786.58255601 Redistribute coefs (0.97031s) stopped
T12 >> 1462243786.58265209 Send coefs to domains (24.14177s) started
T12 << 1462243786.95654798 Send coefs to domains (24.51567s) stopped
T12 << 1462243786.95675993 Blacs Orbital Layouts (6496.33472s) stopped
T12 >> 1462243786.95680499 Calculate projections (209.37875s) started
T12 << 1462243788.65546608 Calculate projections (211.07741s) stopped
T12 << 1462243788.65582800 LCAO eigensolver (7702.09953s) stopped
T12 >> 1462243791.79636407 Density (1885.19345s) started
T12 >> 1462243791.79637909 Pseudo density (1466.28781s) started
T12 >> 1462243791.79848003 Calculate density matrix (1377.65517s) started
T12 << 1462243803.58129096 Calculate density matrix (1389.43798s) stopped
T12 >> 1462243803.58133698 Construct density (86.31795s) started
T12 << 1462243804.31757998 Construct density (87.05420s) stopped
T12 >> 1462243804.33165097 Symmetrize density (0.00962s) started
T12 << 1462243804.33171105 Symmetrize density (0.00968s) stopped
T12 << 1462243804.33369493 Pseudo density (1478.82512s) stopped
T12 >> 1462243804.33375502 Atomic density matrices (367.27816s) started
T12 << 1462243807.46666503 Atomic density matrices (370.41107s) stopped
T12 >> 1462243807.46669698 Multipole moments (1.05043s) started
T12 << 1462243807.47707891 Multipole moments (1.06081s) stopped
T12 >> 1462243807.47710299 Normalize (0.82503s) started
T12 << 1462243807.48294997 Normalize (0.83087s) stopped
T12 >> 1462243807.48300195 Mix (49.74345s) started
T12 << 1462243807.99408507 Mix (50.25453s) stopped
T12 << 1462243807.99414802 Density (1901.39123s) stopped
T12 >> 1462243807.99417806 Hamiltonian (5272.38171s) started
T12 >> 1462243807.99419498 vbar (3.21476s) started
T12 << 1462243808.02425790 vbar (3.24482s) stopped
T12 >> 1462243808.02442789 XC 3D grid (3282.44837s) started
T12 >> 1462243808.51946998 van der Waals (3171.57121s) started
T12 >> 1462243808.62993407 semilocal (669.30951s) started
T12 << 1462243814.42014194 semilocal (675.09972s) stopped
T12 >> 1462243814.50225592 redistribute (334.42239s) started
T12 << 1462243815.46326208 redistribute (335.38340s) stopped
T12 >> 1462243815.46333003 libvdwxc nonlocal (2145.69331s) started
T12 << 1462243833.92771411 libvdwxc nonlocal (2164.15769s) stopped
T12 >> 1462243833.92778492 redistribute (335.38345s) started
T12 << 1462243836.70871496 redistribute (338.16438s) stopped
T12 << 1462243836.70994496 van der Waals (3199.76168s) stopped
T12 << 1462243837.16487408 XC 3D grid (3311.58882s) stopped
T12 >> 1462243837.16495109 Poisson (856.55240s) started
T12 << 1462243841.50362992 Poisson (860.89108s) stopped
T12 >> 1462243841.50369811 Hartree integrate/restrict (42.41385s) started
T12 << 1462243841.54765606 Hartree integrate/restrict (42.45781s) stopped
T12 >> 1462243841.54773688 Hartree integrate/restrict (42.45787s) started
T12 << 1462243841.88768291 Hartree integrate/restrict (42.79782s) stopped
T12 >> 1462243841.88803291 Atomic (276.98419s) started
T12 >> 1462243841.88964009 XC Correction (0.00387s) started
T12 << 1462243841.88965702 XC Correction (0.00389s) stopped
T12 << 1462243844.25437903 Atomic (279.35054s) stopped
T12 >> 1462243844.25445890 Communicate (810.70449s) started
T12 << 1462243852.05937791 Communicate (818.50941s) stopped
T12 << 1462243852.05940604 Hamiltonian (5316.44694s) stopped
T12 >> 1462243852.05942798 LCAO eigensolver (7702.09955s) started
T12 >> 1462243852.05943990 Potential matrix (118.59948s) started
T12 << 1462243853.01299500 Potential matrix (119.55304s) stopped
T12 >> 1462243853.01307893 DistributedAtomicCorrection (46.14568s) started
T12 << 1462243853.38576007 DistributedAtomicCorrection (46.51836s) stopped
T12 >> 1462243853.38581800 Distribute overlap matrix (829.34151s) started
T12 >> 1462243853.38583994 blocked summation (470.73354s) started
T12 << 1462243857.33387589 blocked summation (474.68157s) stopped
T12 >> 1462243857.34358311 Scalapack redistribute (357.40016s) started
T12 << 1462243860.19639897 Scalapack redistribute (360.25297s) stopped
T12 << 1462243860.19650793 Distribute overlap matrix (836.15220s) stopped
T12 >> 1462243860.20156407 Blacs Orbital Layouts (6496.33474s) started
T12 >> 1462243860.21036911 General diagonalize (6469.75427s) started
T12 << 1462243912.91268897 General diagonalize (6522.45659s) stopped
T12 >> 1462243912.91274095 Redistribute coefs (0.97038s) started
T12 << 1462243912.92105198 Redistribute coefs (0.97870s) stopped
T12 >> 1462243912.92109895 Send coefs to domains (24.51570s) started
T12 << 1462243913.02349997 Send coefs to domains (24.61810s) stopped
T12 << 1462243913.02382708 Blacs Orbital Layouts (6549.15700s) stopped
T12 >> 1462243913.02388310 Calculate projections (211.07746s) started
T12 << 1462243914.74002600 Calculate projections (212.79360s) stopped
T12 << 1462243914.74049807 LCAO eigensolver (7764.78062s) stopped
T12 >> 1462243917.86206388 Density (1901.39125s) started
T12 >> 1462243917.86207891 Pseudo density (1478.82517s) started
T12 >> 1462243917.86481404 Calculate density matrix (1389.43801s) started
T12 << 1462243929.68627095 Calculate density matrix (1401.25947s) stopped
T12 >> 1462243929.68632698 Construct density (87.05425s) started
T12 << 1462243930.42530394 Construct density (87.79322s) stopped
T12 >> 1462243930.44188309 Symmetrize density (0.00970s) started
T12 << 1462243930.44196200 Symmetrize density (0.00978s) stopped
T12 << 1462243930.44441605 Pseudo density (1491.40751s) stopped
T12 >> 1462243930.44448495 Atomic density matrices (370.41110s) started
T12 << 1462243933.51871204 Atomic density matrices (373.48532s) stopped
T12 >> 1462243933.51874900 Multipole moments (1.06083s) started
T12 << 1462243933.52909493 Multipole moments (1.07117s) stopped
T12 >> 1462243933.52912092 Normalize (0.83091s) started
T12 << 1462243933.53562808 Normalize (0.83742s) stopped
T12 >> 1462243933.53567791 Mix (50.25459s) started
T12 << 1462243933.96155906 Mix (50.68047s) stopped
T12 << 1462243933.96161509 Density (1917.49080s) stopped
T12 >> 1462243933.96164203 Hamiltonian (5316.44695s) started
T12 >> 1462243933.96165705 vbar (3.24492s) started
T12 << 1462243933.98636389 vbar (3.26962s) stopped
T12 >> 1462243933.98649096 XC 3D grid (3311.58888s) started
T12 >> 1462243934.54286408 van der Waals (3199.76170s) started
T12 >> 1462243934.65384102 semilocal (675.09978s) started
T12 << 1462243940.44176197 semilocal (680.88770s) stopped
T12 >> 1462243940.51520896 redistribute (338.16443s) started
T12 << 1462243941.51005006 redistribute (339.15927s) stopped
T12 >> 1462243941.51010394 libvdwxc nonlocal (2164.15774s) started
T12 << 1462243959.82263994 libvdwxc nonlocal (2182.47028s) stopped
T12 >> 1462243959.82272100 redistribute (339.15931s) started
T12 << 1462243962.90394211 redistribute (342.24053s) stopped
T12 << 1462243962.90512109 van der Waals (3228.12396s) stopped
T12 << 1462243963.35410690 XC 3D grid (3340.95650s) stopped
T12 >> 1462243963.35416007 Poisson (860.89113s) started
T12 << 1462243967.70870209 Poisson (865.24568s) stopped
T12 >> 1462243967.70883608 Hartree integrate/restrict (42.79788s) started
T12 << 1462243967.74639511 Hartree integrate/restrict (42.83544s) stopped
T12 >> 1462243967.74654698 Hartree integrate/restrict (42.83554s) started
T12 << 1462243968.07111907 Hartree integrate/restrict (43.16011s) stopped
T12 >> 1462243968.07142401 Atomic (279.35056s) started
T12 >> 1462243968.07305503 XC Correction (0.00390s) started
T12 << 1462243968.07307005 XC Correction (0.00391s) stopped
T12 << 1462243970.45747709 Atomic (281.73661s) stopped
T12 >> 1462243970.45756793 Communicate (818.50943s) started
T12 << 1462243978.24887991 Communicate (826.30074s) stopped
T12 << 1462243978.24892306 Hamiltonian (5360.73423s) stopped
T12 >> 1462243978.24894905 LCAO eigensolver (7764.78064s) started
T12 >> 1462243978.24896312 Potential matrix (119.55309s) started
T12 << 1462243979.19105005 Potential matrix (120.49518s) stopped
T12 >> 1462243979.19112897 DistributedAtomicCorrection (46.51840s) started
T12 << 1462243979.56540990 DistributedAtomicCorrection (46.89269s) stopped
T12 >> 1462243979.56546497 Distribute overlap matrix (836.15221s) started
T12 >> 1462243979.56548905 blocked summation (474.68160s) started
T12 << 1462243983.44745302 blocked summation (478.56357s) stopped
T12 >> 1462243983.45742702 Scalapack redistribute (360.25303s) started
T12 << 1462243986.42508006 Scalapack redistribute (363.22069s) stopped
T12 << 1462243986.42522311 Distribute overlap matrix (843.01197s) stopped
T12 >> 1462243986.43044400 Blacs Orbital Layouts (6549.15702s) started
T12 >> 1462243986.43824506 General diagonalize (6522.45663s) started
T12 << 1462244039.21261406 General diagonalize (6575.23100s) stopped
T12 >> 1462244039.21266603 Redistribute coefs (0.97873s) started
T12 << 1462244039.22110009 Redistribute coefs (0.98717s) stopped
T12 >> 1462244039.22114706 Send coefs to domains (24.61814s) started
T12 << 1462244039.31804895 Send coefs to domains (24.71504s) stopped
T12 << 1462244039.31828904 Blacs Orbital Layouts (6602.04486s) stopped
T12 >> 1462244039.31833506 Calculate projections (212.79366s) started
T12 << 1462244041.03310108 Calculate projections (214.50843s) stopped
T12 << 1462244041.03348207 LCAO eigensolver (7827.56518s) stopped
T12 >> 1462244044.16397810 Density (1917.49081s) started
T12 >> 1462244044.16399288 Pseudo density (1491.40756s) started
T12 >> 1462244044.16698408 Calculate density matrix (1401.25950s) started
T12 << 1462244055.98254204 Calculate density matrix (1413.07506s) stopped
T12 >> 1462244055.98259711 Construct density (87.79328s) started
T12 << 1462244056.72282505 Construct density (88.53351s) stopped
T12 >> 1462244056.73927999 Symmetrize density (0.00980s) started
T12 << 1462244056.73936009 Symmetrize density (0.00988s) stopped
T12 << 1462244056.74176192 Pseudo density (1503.98533s) stopped
T12 >> 1462244056.74183011 Atomic density matrices (373.48535s) started
T12 << 1462244059.85877395 Atomic density matrices (376.60230s) stopped
T12 >> 1462244059.85881090 Multipole moments (1.07119s) started
T12 << 1462244059.86912489 Multipole moments (1.08150s) stopped
T12 >> 1462244059.86914992 Normalize (0.83745s) started
T12 << 1462244059.87568307 Normalize (0.84399s) stopped
T12 >> 1462244059.87573504 Mix (50.68053s) started
T12 << 1462244060.29346108 Mix (51.09826s) stopped
T12 << 1462244060.29351902 Density (1933.62035s) stopped
T12 >> 1462244060.29354811 Hamiltonian (5360.73424s) started
T12 >> 1462244060.29356408 vbar (3.26970s) started
T12 << 1462244060.31738210 vbar (3.29351s) stopped
T12 >> 1462244060.31744909 XC 3D grid (3340.95654s) started
T12 >> 1462244060.88057089 van der Waals (3228.12402s) started
T12 >> 1462244060.99293590 semilocal (680.88781s) started
T12 << 1462244066.72158694 semilocal (686.61646s) stopped
T12 >> 1462244066.79669595 redistribute (342.24058s) started
T12 << 1462244067.86407995 redistribute (343.30797s) stopped
T12 >> 1462244067.86413407 libvdwxc nonlocal (2182.47034s) started
T12 << 1462244085.96665597 libvdwxc nonlocal (2200.57286s) stopped
T12 >> 1462244085.96672511 redistribute (343.30801s) started
T12 << 1462244088.98119593 redistribute (346.32248s) stopped
T12 << 1462244088.98239207 van der Waals (3256.22584s) stopped
T12 << 1462244089.43269706 XC 3D grid (3370.07179s) stopped
T12 >> 1462244089.43276906 Poisson (865.24578s) started
T12 << 1462244093.73168111 Poisson (869.54469s) stopped
T12 >> 1462244093.73176503 Hartree integrate/restrict (43.16017s) started
T12 << 1462244093.76989698 Hartree integrate/restrict (43.19830s) stopped
T12 >> 1462244093.77003598 Hartree integrate/restrict (43.19839s) started
T12 << 1462244094.14395809 Hartree integrate/restrict (43.57231s) stopped
T12 >> 1462244094.14425111 Atomic (281.73664s) started
T12 >> 1462244094.14586210 XC Correction (0.00392s) started
T12 << 1462244094.14588094 XC Correction (0.00394s) stopped
T12 << 1462244096.51202607 Atomic (284.10441s) stopped
T12 >> 1462244096.51211095 Communicate (826.30077s) started
T12 << 1462244104.31284690 Communicate (834.10151s) stopped
T12 << 1462244104.31289101 Hamiltonian (5404.75359s) stopped
T12 >> 1462244104.31291795 LCAO eigensolver (7827.56519s) started
T12 >> 1462244104.31293106 Potential matrix (120.49522s) started
T12 << 1462244105.27443504 Potential matrix (121.45672s) stopped
T12 >> 1462244105.27451611 DistributedAtomicCorrection (46.89272s) started
T12 << 1462244105.64749503 DistributedAtomicCorrection (47.26570s) stopped
T12 >> 1462244105.64755011 Distribute overlap matrix (843.01198s) started
T12 >> 1462244105.64757299 blocked summation (478.56362s) started
T12 << 1462244109.51073098 blocked summation (482.42678s) stopped
T12 >> 1462244109.52058411 Scalapack redistribute (363.22077s) started
T12 << 1462244112.43892908 Scalapack redistribute (366.13911s) stopped
T12 << 1462244112.43907595 Distribute overlap matrix (849.80351s) stopped
T12 >> 1462244112.44397306 Blacs Orbital Layouts (6602.04488s) started
T12 >> 1462244112.45179892 General diagonalize (6575.23104s) started
T12 << 1462244163.48074889 General diagonalize (6626.25999s) stopped
T12 >> 1462244163.48079801 Redistribute coefs (0.98720s) started
T12 << 1462244163.48850799 Redistribute coefs (0.99491s) stopped
T12 >> 1462244163.48854995 Send coefs to domains (24.71508s) started
T12 << 1462244163.64871192 Send coefs to domains (24.87524s) stopped
T12 << 1462244163.64893699 Blacs Orbital Layouts (6653.24985s) stopped
T12 >> 1462244163.64898109 Calculate projections (214.50849s) started
T12 << 1462244165.35454202 Calculate projections (216.21405s) stopped
T12 << 1462244165.35499191 LCAO eigensolver (7888.60727s) stopped
T12 >> 1462244168.51391697 Density (1933.62037s) started
T12 >> 1462244168.51393294 Pseudo density (1503.98539s) started
T12 >> 1462244168.51629806 Calculate density matrix (1413.07510s) started
T12 << 1462244180.29236698 Calculate density matrix (1424.85117s) stopped
T12 >> 1462244180.29241490 Construct density (88.53357s) started
T12 << 1462244181.03281903 Construct density (89.27397s) stopped
T12 >> 1462244181.04705811 Symmetrize density (0.00990s) started
T12 << 1462244181.04712701 Symmetrize density (0.00997s) stopped
T12 << 1462244181.04919100 Pseudo density (1516.52065s) stopped
T12 >> 1462244181.04924893 Atomic density matrices (376.60232s) started
T12 << 1462244184.16162491 Atomic density matrices (379.71470s) stopped
T12 >> 1462244184.16166210 Multipole moments (1.08152s) started
T12 << 1462244184.17198110 Multipole moments (1.09184s) stopped
T12 >> 1462244184.17200589 Normalize (0.84402s) started
T12 << 1462244184.17807293 Normalize (0.85009s) stopped
T12 >> 1462244184.17816901 Mix (51.09831s) started
T12 << 1462244184.64235997 Mix (51.56250s) stopped
T12 << 1462244184.64241195 Density (1949.74886s) stopped
T12 >> 1462244184.64243793 Hamiltonian (5404.75360s) started
T12 >> 1462244184.64245296 vbar (3.29355s) started
T12 << 1462244184.67059302 vbar (3.32169s) stopped
T12 >> 1462244184.67075801 XC 3D grid (3370.07184s) started
T12 >> 1462244185.14276910 van der Waals (3256.22588s) started
T12 >> 1462244185.25485110 semilocal (686.61658s) started
T12 << 1462244190.96636891 semilocal (692.32810s) stopped
T12 >> 1462244191.04034996 redistribute (346.32252s) started
T12 << 1462244192.15439892 redistribute (347.43657s) stopped
T12 >> 1462244192.15446401 libvdwxc nonlocal (2200.57292s) started
T12 << 1462244210.22402310 libvdwxc nonlocal (2218.64248s) stopped
T12 >> 1462244210.22410607 redistribute (347.43662s) started
T12 << 1462244212.99906111 redistribute (350.21158s) stopped
T12 << 1462244213.00032902 van der Waals (3284.08344s) stopped
T12 << 1462244213.45352507 XC 3D grid (3398.85461s) stopped
T12 >> 1462244213.45357203 Poisson (869.54475s) started
T12 << 1462244217.74978900 Poisson (873.84097s) stopped
T12 >> 1462244217.74989009 Hartree integrate/restrict (43.57235s) started
T12 << 1462244217.78754592 Hartree integrate/restrict (43.61001s) stopped
T12 >> 1462244217.78766799 Hartree integrate/restrict (43.61009s) started
T12 << 1462244218.13577795 Hartree integrate/restrict (43.95820s) stopped
T12 >> 1462244218.13604808 Atomic (284.10444s) started
T12 >> 1462244218.13768196 XC Correction (0.00396s) started
T12 << 1462244218.13770199 XC Correction (0.00398s) stopped
T12 << 1462244220.50128388 Atomic (286.46967s) stopped
T12 >> 1462244220.50136805 Communicate (834.10154s) started
T12 << 1462244228.29920006 Communicate (841.89937s) stopped
T12 << 1462244228.29923892 Hamiltonian (5448.41040s) stopped
T12 >> 1462244228.29926395 LCAO eigensolver (7888.60729s) started
T12 >> 1462244228.29927707 Potential matrix (121.45677s) started
T12 << 1462244229.25354791 Potential matrix (122.41104s) stopped
T12 >> 1462244229.25364089 DistributedAtomicCorrection (47.26574s) started
T12 << 1462244229.62686491 DistributedAtomicCorrection (47.63897s) stopped
T12 >> 1462244229.62692094 Distribute overlap matrix (849.80352s) started
T12 >> 1462244229.62694502 blocked summation (482.42681s) started
T12 << 1462244233.45187712 blocked summation (486.25174s) stopped
T12 >> 1462244233.46196508 Scalapack redistribute (366.13919s) started
T12 << 1462244236.37778091 Scalapack redistribute (369.05501s) stopped
T12 << 1462244236.37791491 Distribute overlap matrix (856.55451s) stopped
T12 >> 1462244236.38242793 Blacs Orbital Layouts (6653.24987s) started
T12 >> 1462244236.39079309 General diagonalize (6626.26003s) started
T12 << 1462244287.13434196 General diagonalize (6677.00358s) stopped
T12 >> 1462244287.13439012 Redistribute coefs (0.99494s) started
T12 << 1462244287.14220309 Redistribute coefs (1.00276s) stopped
T12 >> 1462244287.14224601 Send coefs to domains (24.87527s) started
T12 << 1462244287.26422501 Send coefs to domains (24.99725s) stopped
T12 << 1462244287.26458001 Blacs Orbital Layouts (6704.13202s) stopped
T12 >> 1462244287.26462102 Calculate projections (216.21410s) started
T12 << 1462244288.97042203 Calculate projections (217.91990s) stopped
T12 << 1462244288.97091389 LCAO eigensolver (7949.27894s) stopped
T12 >> 1462244292.10182595 Density (1949.74887s) started
T12 >> 1462244292.10184312 Pseudo density (1516.52069s) started
T12 >> 1462244292.10422111 Calculate density matrix (1424.85120s) started
T12 << 1462244303.99283791 Calculate density matrix (1436.73982s) stopped
T12 >> 1462244303.99288392 Construct density (89.27402s) started
T12 << 1462244304.73253489 Construct density (90.01367s) stopped
T12 >> 1462244304.74656510 Symmetrize density (0.00998s) started
T12 << 1462244304.74663401 Symmetrize density (0.01005s) stopped
T12 << 1462244304.74868107 Pseudo density (1529.16753s) stopped
T12 >> 1462244304.74873710 Atomic density matrices (379.71473s) started
T12 << 1462244307.82048702 Atomic density matrices (382.78648s) stopped
T12 >> 1462244307.82051992 Multipole moments (1.09186s) started
T12 << 1462244307.83011007 Multipole moments (1.10145s) stopped
T12 >> 1462244307.83013511 Normalize (0.85017s) started
T12 << 1462244307.83600402 Normalize (0.85603s) stopped
T12 >> 1462244307.83605695 Mix (51.56255s) started
T12 << 1462244308.24176502 Mix (51.96826s) stopped
T12 << 1462244308.24183702 Density (1965.88889s) stopped
T12 >> 1462244308.24186707 Hamiltonian (5448.41041s) started
T12 >> 1462244308.24188304 vbar (3.32178s) started
T12 << 1462244308.26680493 vbar (3.34670s) stopped
T12 >> 1462244308.26692009 XC 3D grid (3398.85465s) started
T12 >> 1462244308.76696992 van der Waals (3284.08346s) started
T12 >> 1462244308.87629008 semilocal (692.32823s) started
T12 << 1462244314.68850994 semilocal (698.14045s) stopped
T12 >> 1462244314.76736903 redistribute (350.21161s) started
T12 << 1462244315.75784707 redistribute (351.20209s) stopped
T12 >> 1462244315.75791597 libvdwxc nonlocal (2218.64254s) started
T12 << 1462244334.24302292 libvdwxc nonlocal (2237.12765s) stopped
T12 >> 1462244334.24308491 redistribute (351.20214s) started
T12 << 1462244335.89522791 redistribute (352.85429s) stopped
T12 << 1462244335.89661503 van der Waals (3311.21311s) stopped
T12 << 1462244336.34696293 XC 3D grid (3426.93469s) stopped
T12 >> 1462244336.34701991 Poisson (873.84104s) started
T12 << 1462244339.23695207 Poisson (876.73097s) stopped
T12 >> 1462244339.23706698 Hartree integrate/restrict (43.95824s) started
T12 << 1462244339.28139400 Hartree integrate/restrict (44.00257s) stopped
T12 >> 1462244339.28143311 Hartree integrate/restrict (44.00259s) started
T12 << 1462244339.58974791 Hartree integrate/restrict (44.31091s) stopped
T12 >> 1462244339.59005308 Atomic (286.46970s) started
T12 >> 1462244339.59161401 XC Correction (0.00399s) started
T12 << 1462244339.59163404 XC Correction (0.00401s) stopped
T12 << 1462244341.97413993 Atomic (288.85378s) stopped
T12 >> 1462244341.97422290 Communicate (841.89939s) started
T12 << 1462244349.85814190 Communicate (849.78331s) stopped
T12 << 1462244349.85817695 Hamiltonian (5490.02672s) stopped
T12 >> 1462244349.85820103 LCAO eigensolver (7949.27896s) started
T12 >> 1462244349.85821390 Potential matrix (122.41109s) started
T12 << 1462244350.81428790 Potential matrix (123.36717s) stopped
T12 >> 1462244350.81435895 DistributedAtomicCorrection (47.63901s) started
T12 << 1462244351.18894911 DistributedAtomicCorrection (48.01360s) stopped
T12 >> 1462244351.18900204 Distribute overlap matrix (856.55453s) started
T12 >> 1462244351.18902397 blocked summation (486.25178s) started
T12 << 1462244355.03974891 blocked summation (490.10250s) stopped
T12 >> 1462244355.04944706 Scalapack redistribute (369.05508s) started
T12 << 1462244358.02421498 Scalapack redistribute (372.02985s) stopped
T12 << 1462244358.02429509 Distribute overlap matrix (863.38982s) stopped
T12 >> 1462244358.02865100 Blacs Orbital Layouts (6704.13204s) started
T12 >> 1462244358.03677893 General diagonalize (6677.00362s) started
T12 << 1462244408.61802197 General diagonalize (6727.58486s) stopped
T12 >> 1462244408.61806989 Redistribute coefs (1.00279s) started
T12 << 1462244408.62537599 Redistribute coefs (1.01009s) stopped
T12 >> 1462244408.62544703 Send coefs to domains (24.99729s) started
T12 << 1462244408.71895695 Send coefs to domains (25.09080s) stopped
T12 << 1462244408.71913600 Blacs Orbital Layouts (6754.82252s) stopped
T12 >> 1462244408.71917892 Calculate projections (217.91995s) started
T12 << 1462244410.42418003 Calculate projections (219.62495s) stopped
T12 << 1462244410.42453909 LCAO eigensolver (8009.84529s) stopped
T12 << 1462244413.55787206 SCF-cycle (15872.30003s) stopped
T12 >> 1462244415.63148308 Force calculation (441.66601s) started
T12 >> 1462244415.63154006 LCAO forces (436.67851s) started
T12 >> 1462244415.63189912 Initial (0.00014s) started
T12 << 1462244415.63191009 Initial (0.00015s) stopped
T12 >> 1462244415.63798690 Get density matrix (231.69617s) started
T12 << 1462244424.76549911 Get density matrix (240.82368s) stopped
T12 >> 1462244424.76554108 Potential (35.53297s) started
T12 << 1462244430.66884494 Potential (41.43627s) stopped
T12 >> 1462244430.66890311 Get density matrix (240.82372s) started
T12 << 1462244460.14437294 Get density matrix (270.29919s) stopped
T12 >> 1462244460.14443588 Prepare TCI loop (12.42015s) started
T12 >> 1462244460.14491892 Get neighbors (11.30611s) started
T12 << 1462244461.99577093 Get neighbors (13.15697s) stopped
T12 >> 1462244461.99672890 broadcast dH (1.10868s) started
T12 << 1462244462.23503804 broadcast dH (1.34699s) stopped
T12 << 1462244462.23507810 Prepare TCI loop (14.51079s) stopped
T12 >> 1462244462.23509693 Not so complicated loop (0.69386s) started
T12 << 1462244462.34817410 Not so complicated loop (0.80694s) stopped
T12 >> 1462244462.45888710 Complicated loop (101.15727s) started
T12 << 1462244479.46872711 Complicated loop (118.16711s) stopped
T12 >> 1462244479.47053695 Wait for sum (54.48312s) started
T12 << 1462244488.37043810 Wait for sum (63.38302s) stopped
T12 << 1462244488.37047291 LCAO forces (509.41744s) stopped
T12 << 1462244489.18762589 Force calculation (515.22215s) stopped
T12 >> 1462244489.20515800 Initialization (785.57467s) started
T12 << 1462244489.20531607 Initialization (785.57483s) stopped
T12 >> 1462244489.20552897 Initialization (785.57484s) started
T12 << 1462244489.20565200 Initialization (785.57497s) stopped
T12 >> 1462244489.20578289 Initialization (785.57498s) started
T12 << 1462244489.20590401 Initialization (785.57510s) stopped
T12 >> 1462244509.55006504 Initialization (785.57512s) started
T12 >> 1462244509.58540106 Basic WFS set positions (0.55912s) started
T12 >> 1462244509.58542609 Redistribute (0.00378s) started
T12 << 1462244509.58556199 Redistribute (0.00392s) stopped
T12 << 1462244509.66634393 Basic WFS set positions (0.64006s) stopped
T12 >> 1462244509.66636992 Basis functions set positions (11.07345s) started
T12 << 1462244511.34961605 Basis functions set positions (12.75669s) stopped
T12 >> 1462244511.34999800 TCI: Calculate S, T, P (97.40337s) started
T12 << 1462244525.46982694 TCI: Calculate S, T, P (111.52320s) stopped
T12 >> 1462244525.46988392 blocked summation (111.54310s) started
T12 << 1462244543.18614888 blocked summation (129.25936s) stopped
T12 >> 1462244543.19593096 Scalapack redistribute (42.72703s) started
T12 << 1462244549.52522492 Scalapack redistribute (49.05632s) stopped
T12 >> 1462244549.52624106 blocked summation (129.25942s) started
T12 << 1462244550.56030393 blocked summation (130.29348s) stopped
T12 >> 1462244550.56938910 Scalapack redistribute (49.05639s) started
T12 << 1462244551.04162097 Scalapack redistribute (49.52862s) stopped
T12 >> 1462244551.04346204 Redistribute (0.00568s) started
T12 << 1462244551.04393506 Redistribute (0.00615s) stopped
T12 >> 1462244552.72953510 Redistribute (0.00617s) started
T12 << 1462244552.72995090 Redistribute (0.00658s) stopped
T12 >> 1462244552.74494600 LCAO WFS Initialize (505.15571s) started
T12 >> 1462244552.74502993 Density initialize from wavefunctions (85.44487s) started
T12 >> 1462244552.75319600 Calculate density matrix (59.87765s) started
T12 << 1462244562.56687999 Calculate density matrix (69.69134s) stopped
T12 >> 1462244562.56692696 Construct density (4.44958s) started
T12 << 1462244563.30360508 Construct density (5.18626s) stopped
T12 >> 1462244563.31853008 Symmetrize density (0.00047s) started
T12 << 1462244563.31860304 Symmetrize density (0.00054s) stopped
T12 << 1462244566.82032299 Density initialize from wavefunctions (99.52016s) stopped
T12 >> 1462244566.82058191 Hamiltonian (418.79594s) started
T12 >> 1462244566.82060003 vbar (0.22301s) started
T12 << 1462244566.85819006 vbar (0.26060s) stopped
T12 >> 1462244566.85836697 XC 3D grid (200.19618s) started
T12 >> 1462244567.31115508 van der Waals (193.59787s) started
T12 >> 1462244567.42316198 semilocal (40.62336s) started
T12 << 1462244573.25293899 semilocal (46.45314s) stopped
T12 >> 1462244573.33283210 redistribute (22.28631s) started
T12 << 1462244574.30151701 redistribute (23.25499s) stopped
T12 >> 1462244574.30156493 libvdwxc nonlocal (129.34065s) started
T12 << 1462244592.98761702 libvdwxc nonlocal (148.02670s) stopped
T12 >> 1462244592.98768592 redistribute (23.25502s) started
T12 << 1462244594.69424105 redistribute (24.96158s) stopped
T12 << 1462244594.69562793 van der Waals (220.98234s) stopped
T12 << 1462244595.14473200 XC 3D grid (228.48254s) stopped
T12 >> 1462244595.14478588 Poisson (134.12231s) started
T12 << 1462244610.66626406 Poisson (149.64379s) stopped
T12 >> 1462244610.66633105 Hartree integrate/restrict (2.57943s) started
T12 << 1462244610.71237302 Hartree integrate/restrict (2.62547s) stopped
T12 >> 1462244610.71241403 Hartree integrate/restrict (2.62550s) started
T12 << 1462244611.02909088 Hartree integrate/restrict (2.94217s) stopped
T12 >> 1462244611.02935505 Atomic (16.45179s) started
T12 >> 1462244611.03118992 XC Correction (0.00030s) started
T12 << 1462244611.03120589 XC Correction (0.00032s) stopped
T12 << 1462244613.35759997 Atomic (18.78003s) stopped
T12 >> 1462244613.35776806 Communicate (65.19455s) started
T12 << 1462244623.33227897 Communicate (75.16906s) stopped
T12 << 1462244623.33231497 Hamiltonian (475.30768s) stopped
T12 << 1462244623.33232903 LCAO WFS Initialize (575.74309s) stopped
T12 << 1462244623.34434295 Initialization (899.36940s) stopped
T12 >> 1462244623.36953712 SCF-cycle (15872.30005s) started
T12 >> 1462244623.36957192 LCAO eigensolver (8009.84531s) started
T12 >> 1462244623.36958408 Potential matrix (123.36721s) started
T12 << 1462244624.33134294 Potential matrix (124.32897s) stopped
T12 >> 1462244624.33141494 DistributedAtomicCorrection (48.01363s) started
T12 << 1462244624.70362091 DistributedAtomicCorrection (48.38584s) stopped
T12 >> 1462244624.70366693 Distribute overlap matrix (863.38983s) started
T12 >> 1462244624.70369506 blocked summation (490.10254s) started
T12 << 1462244628.74504495 blocked summation (494.14389s) stopped
T12 >> 1462244628.75381708 Scalapack redistribute (372.02989s) started
T12 << 1462244631.72015810 Scalapack redistribute (374.99623s) stopped
T12 << 1462244631.72025895 Distribute overlap matrix (870.40642s) stopped
T12 >> 1462244631.72416806 Blacs Orbital Layouts (6754.82254s) started
T12 >> 1462244631.73255610 General diagonalize (6727.58490s) started
T12 << 1462244689.01281095 General diagonalize (6784.86516s) stopped
T12 >> 1462244689.01285911 Redistribute coefs (1.01015s) started
T12 << 1462244689.02037311 Redistribute coefs (1.01766s) stopped
T12 >> 1462244689.02044392 Send coefs to domains (25.09083s) started
T12 << 1462244689.12026906 Send coefs to domains (25.19065s) stopped
T12 << 1462244689.12069392 Blacs Orbital Layouts (6812.21907s) stopped
T12 >> 1462244689.12072206 Calculate projections (219.62500s) started
T12 << 1462244690.82086802 Calculate projections (221.32515s) stopped
T12 << 1462244690.82105708 LCAO eigensolver (8077.29680s) stopped
T12 >> 1462244693.96557903 Density (1965.88890s) started
T12 >> 1462244693.96559405 Pseudo density (1529.16758s) started
T12 >> 1462244693.96808195 Calculate density matrix (1436.73985s) started
T12 << 1462244705.93415904 Calculate density matrix (1448.70593s) stopped
T12 >> 1462244705.93420601 Construct density (90.01372s) started
T12 << 1462244706.67112207 Construct density (90.75064s) stopped
T12 >> 1462244706.68584204 Symmetrize density (0.01007s) started
T12 << 1462244706.68590999 Symmetrize density (0.01014s) stopped
T12 << 1462244706.68788004 Pseudo density (1541.88986s) stopped
T12 >> 1462244706.68794107 Atomic density matrices (382.78650s) started
T12 << 1462244709.76744199 Atomic density matrices (385.86600s) stopped
T12 >> 1462244709.76747394 Multipole moments (1.10146s) started
T12 << 1462244709.77754402 Multipole moments (1.11153s) stopped
T12 >> 1462244709.77756810 Normalize (0.85607s) started
T12 << 1462244709.78372693 Normalize (0.86223s) stopped
T12 >> 1462244709.78379202 Mix (51.96833s) started
T12 << 1462244710.14074302 Mix (52.32528s) stopped
T12 << 1462244710.14078498 Density (1982.06411s) stopped
T12 >> 1462244710.14081407 Hamiltonian (5490.02673s) started
T12 >> 1462244710.14082909 vbar (3.34677s) started
T12 << 1462244710.16284490 vbar (3.36879s) stopped
T12 >> 1462244710.16298795 XC 3D grid (3426.93474s) started
T12 >> 1462244710.65228510 van der Waals (3311.21315s) started
T12 >> 1462244710.76105690 semilocal (698.14054s) started
T12 << 1462244716.49465609 semilocal (703.87414s) stopped
T12 >> 1462244716.57947302 redistribute (352.85432s) started
T12 << 1462244717.63877296 redistribute (353.91362s) stopped
T12 >> 1462244717.63884211 libvdwxc nonlocal (2237.12769s) started
T12 << 1462244736.26796007 libvdwxc nonlocal (2255.75681s) stopped
T12 >> 1462244736.26802397 redistribute (353.91368s) started
T12 << 1462244737.98136806 redistribute (355.62702s) stopped
T12 << 1462244737.98280811 van der Waals (3338.54367s) stopped
T12 << 1462244738.43571901 XC 3D grid (3455.20747s) stopped
T12 >> 1462244738.43575907 Poisson (876.73106s) started
T12 << 1462244749.90166211 Poisson (888.19696s) stopped
T12 >> 1462244749.90173292 Hartree integrate/restrict (44.31096s) started
T12 << 1462244749.95016503 Hartree integrate/restrict (44.35939s) stopped
T12 >> 1462244749.95026302 Hartree integrate/restrict (44.35946s) started
T12 << 1462244750.27733111 Hartree integrate/restrict (44.68653s) stopped
T12 >> 1462244750.27756190 Atomic (288.85381s) started
T12 >> 1462244750.27943707 XC Correction (0.00402s) started
T12 << 1462244750.27946091 XC Correction (0.00404s) stopped
T12 << 1462244752.62872291 Atomic (291.20497s) stopped
T12 >> 1462244752.62890291 Communicate (849.78333s) started
T12 << 1462244760.32925606 Communicate (857.48369s) stopped
T12 << 1462244760.32929111 Hamiltonian (5540.21521s) stopped
T12 >> 1462244760.32931495 LCAO eigensolver (8077.29682s) started
T12 >> 1462244760.32932806 Potential matrix (124.32901s) started
T12 << 1462244761.27845812 Potential matrix (125.27814s) stopped
T12 >> 1462244761.27854395 DistributedAtomicCorrection (48.38588s) started
T12 << 1462244761.64765000 DistributedAtomicCorrection (48.75498s) stopped
T12 >> 1462244761.64769602 Distribute overlap matrix (870.40644s) started
T12 >> 1462244761.64772010 blocked summation (494.14392s) started
T12 << 1462244765.54958510 blocked summation (498.04578s) stopped
T12 >> 1462244765.56014299 Scalapack redistribute (374.99629s) started
T12 << 1462244768.41481709 Scalapack redistribute (377.85097s) stopped
T12 << 1462244768.41491890 Distribute overlap matrix (877.17366s) stopped
T12 >> 1462244768.41972494 Blacs Orbital Layouts (6812.21909s) started
T12 >> 1462244768.42863011 General diagonalize (6784.86520s) started
T12 << 1462244823.24178910 General diagonalize (6839.67835s) stopped
T12 >> 1462244823.24183798 Redistribute coefs (1.01772s) started
T12 << 1462244823.24907088 Redistribute coefs (1.02495s) stopped
T12 >> 1462244823.24914193 Send coefs to domains (25.19068s) started
T12 << 1462244823.61931205 Send coefs to domains (25.56085s) stopped
T12 << 1462244823.61976790 Blacs Orbital Layouts (6867.41913s) stopped
T12 >> 1462244823.61979508 Calculate projections (221.32520s) started
T12 << 1462244825.32030201 Calculate projections (223.02571s) stopped
T12 << 1462244825.32065606 LCAO eigensolver (8142.28816s) stopped
T12 >> 1462244828.47810292 Density (1982.06412s) started
T12 >> 1462244828.47811699 Pseudo density (1541.88991s) started
T12 >> 1462244828.48062205 Calculate density matrix (1448.70596s) started
T12 << 1462244840.32143903 Calculate density matrix (1460.54678s) stopped
T12 >> 1462244840.32148695 Construct density (90.75069s) started
T12 << 1462244841.05749297 Construct density (91.48670s) stopped
T12 >> 1462244841.07217789 Symmetrize density (0.01015s) started
T12 << 1462244841.07225108 Symmetrize density (0.01023s) stopped
T12 << 1462244841.07425094 Pseudo density (1554.48604s) stopped
T12 >> 1462244841.07431293 Atomic density matrices (385.86603s) started
T12 << 1462244844.28355098 Atomic density matrices (389.07527s) stopped
T12 >> 1462244844.28358293 Multipole moments (1.11155s) started
T12 << 1462244844.29317689 Multipole moments (1.12114s) stopped
T12 >> 1462244844.29320002 Normalize (0.86228s) started
T12 << 1462244844.29933500 Normalize (0.86841s) stopped
T12 >> 1462244844.29940391 Mix (52.32532s) started
T12 << 1462244844.75645709 Mix (52.78238s) stopped
T12 << 1462244844.75650501 Density (1998.34252s) stopped
T12 >> 1462244844.75655699 Hamiltonian (5540.21522s) started
T12 >> 1462244844.75657201 vbar (3.36888s) started
T12 << 1462244844.77820706 vbar (3.39051s) stopped
T12 >> 1462244844.77831292 XC 3D grid (3455.20750s) started
T12 >> 1462244845.33828592 van der Waals (3338.54371s) started
T12 >> 1462244845.44928193 semilocal (703.87425s) started
T12 << 1462244851.14315295 semilocal (709.56812s) stopped
T12 >> 1462244851.23331809 redistribute (355.62706s) started
T12 << 1462244852.34653807 redistribute (356.74028s) stopped
T12 >> 1462244852.34658098 libvdwxc nonlocal (2255.75686s) started
T12 << 1462244870.56920791 libvdwxc nonlocal (2273.97949s) stopped
T12 >> 1462244870.56927395 redistribute (356.74031s) started
T12 << 1462244872.38106608 redistribute (358.55210s) stopped
T12 << 1462244872.38261795 van der Waals (3365.58804s) stopped
T12 << 1462244872.83593607 XC 3D grid (3483.26512s) stopped
T12 >> 1462244872.83597898 Poisson (888.19702s) started
T12 << 1462244882.72700810 Poisson (898.08804s) stopped
T12 >> 1462244882.72708201 Hartree integrate/restrict (44.68657s) started
T12 << 1462244882.76872993 Hartree integrate/restrict (44.72821s) stopped
T12 >> 1462244882.76881409 Hartree integrate/restrict (44.72827s) started
T12 << 1462244883.09867001 Hartree integrate/restrict (45.05813s) stopped
T12 >> 1462244883.09891510 Atomic (291.20499s) started
T12 >> 1462244883.10062003 XC Correction (0.00406s) started
T12 << 1462244883.10063910 XC Correction (0.00408s) stopped
T12 << 1462244885.45858312 Atomic (293.56466s) stopped
T12 >> 1462244885.45874596 Communicate (857.48371s) started
T12 << 1462244892.83342004 Communicate (864.85838s) stopped
T12 << 1462244892.83344889 Hamiltonian (5588.29211s) stopped
T12 >> 1462244892.83347106 LCAO eigensolver (8142.28817s) started
T12 >> 1462244892.83348298 Potential matrix (125.27819s) started
T12 << 1462244893.77791190 Potential matrix (126.22262s) stopped
T12 >> 1462244893.77799702 DistributedAtomicCorrection (48.75502s) started
T12 << 1462244894.15053511 DistributedAtomicCorrection (49.12756s) stopped
T12 >> 1462244894.15057993 Distribute overlap matrix (877.17367s) started
T12 >> 1462244894.15060401 blocked summation (498.04581s) started
T12 << 1462244898.06379008 blocked summation (501.95900s) stopped
T12 >> 1462244898.07393003 Scalapack redistribute (377.85102s) started
T12 << 1462244900.95617795 Scalapack redistribute (380.73327s) stopped
T12 << 1462244900.95624995 Distribute overlap matrix (883.97934s) stopped
T12 >> 1462244900.96076107 Blacs Orbital Layouts (6867.41915s) started
T12 >> 1462244900.96944904 General diagonalize (6839.67839s) started
T12 << 1462244955.40915298 General diagonalize (6894.11810s) stopped
T12 >> 1462244955.40919709 Redistribute coefs (1.02501s) started
T12 << 1462244955.41646791 Redistribute coefs (1.03228s) stopped
T12 >> 1462244955.41651011 Send coefs to domains (25.56089s) started
T12 << 1462244955.77521491 Send coefs to domains (25.91959s) stopped
T12 << 1462244955.77556705 Blacs Orbital Layouts (6922.23396s) stopped
T12 >> 1462244955.77559400 Calculate projections (223.02575s) started
T12 << 1462244957.47535300 Calculate projections (224.72551s) stopped
T12 << 1462244957.47571611 LCAO eigensolver (8206.93042s) stopped
T12 >> 1462244960.61724591 Density (1998.34256s) started
T12 >> 1462244960.61726093 Pseudo density (1554.48609s) started
T12 >> 1462244960.62001204 Calculate density matrix (1460.54682s) started
T12 << 1462244972.48105502 Calculate density matrix (1472.40786s) stopped
T12 >> 1462244972.48110294 Construct density (91.48675s) started
T12 << 1462244973.21646309 Construct density (92.22211s) stopped
T12 >> 1462244973.23060203 Symmetrize density (0.01024s) started
T12 << 1462244973.23067093 Symmetrize density (0.01031s) stopped
T12 << 1462244973.23264599 Pseudo density (1567.10148s) stopped
T12 >> 1462244973.23270512 Atomic density matrices (389.07529s) started
T12 << 1462244976.42393088 Atomic density matrices (392.26652s) stopped
T12 >> 1462244976.42396402 Multipole moments (1.12116s) started
T12 << 1462244976.43399191 Multipole moments (1.13119s) stopped
T12 >> 1462244976.43401504 Normalize (0.86846s) started
T12 << 1462244976.44040704 Normalize (0.87486s) stopped
T12 >> 1462244976.44052291 Mix (52.78242s) started
T12 << 1462244976.85158396 Mix (53.19349s) stopped
T12 << 1462244976.85162711 Density (2014.57694s) stopped
T12 >> 1462244976.85165310 Hamiltonian (5588.29213s) started
T12 >> 1462244976.85166693 vbar (3.39058s) started
T12 << 1462244976.87825108 vbar (3.41716s) stopped
T12 >> 1462244976.87837005 XC 3D grid (3483.26515s) started
T12 >> 1462244977.39670205 van der Waals (3365.58807s) started
T12 >> 1462244977.50596690 semilocal (709.56820s) started
T12 << 1462244983.29012704 semilocal (715.35236s) stopped
T12 >> 1462244983.36762309 redistribute (358.55214s) started
T12 << 1462244984.33563304 redistribute (359.52015s) stopped
T12 >> 1462244984.33567595 libvdwxc nonlocal (2273.97954s) started
T12 << 1462245002.89860296 libvdwxc nonlocal (2292.54247s) stopped
T12 >> 1462245002.89866710 redistribute (359.52018s) started
T12 << 1462245004.58940792 redistribute (361.21093s) stopped
T12 << 1462245004.59084392 van der Waals (3392.78222s) stopped
T12 << 1462245005.04424000 XC 3D grid (3511.43102s) stopped
T12 >> 1462245005.04429889 Poisson (898.08810s) started
T12 << 1462245016.47021890 Poisson (909.51402s) stopped
T12 >> 1462245016.47034407 Hartree integrate/restrict (45.05816s) started
T12 << 1462245016.51241207 Hartree integrate/restrict (45.10023s) stopped
T12 >> 1462245016.51248002 Hartree integrate/restrict (45.10027s) started
T12 << 1462245016.82854509 Hartree integrate/restrict (45.41634s) stopped
T12 >> 1462245016.82880712 Atomic (293.56468s) started
T12 >> 1462245016.83042908 XC Correction (0.00409s) started
T12 << 1462245016.83044410 XC Correction (0.00410s) stopped
T12 << 1462245019.21147394 Atomic (295.94734s) stopped
T12 >> 1462245019.21162200 Communicate (864.85840s) started
T12 << 1462245026.57064390 Communicate (872.21742s) stopped
T12 << 1462245026.57067490 Hamiltonian (5638.01115s) stopped
T12 >> 1462245026.57069802 LCAO eigensolver (8206.93044s) started
T12 >> 1462245026.57070994 Potential matrix (126.22267s) started
T12 << 1462245027.53246808 Potential matrix (127.18443s) stopped
T12 >> 1462245027.53254008 DistributedAtomicCorrection (49.12760s) started
T12 << 1462245027.90627003 DistributedAtomicCorrection (49.50133s) stopped
T12 >> 1462245027.90631795 Distribute overlap matrix (883.97935s) started
T12 >> 1462245027.90634108 blocked summation (501.95903s) started
T12 << 1462245031.76505208 blocked summation (505.81774s) stopped
T12 >> 1462245031.77413297 Scalapack redistribute (380.73331s) started
T12 << 1462245034.69659996 Scalapack redistribute (383.65577s) stopped
T12 << 1462245034.69671512 Distribute overlap matrix (890.76975s) stopped
T12 >> 1462245034.70227790 Blacs Orbital Layouts (6922.23398s) started
T12 >> 1462245034.71097112 General diagonalize (6894.11813s) started
T12 << 1462245085.84241104 General diagonalize (6945.24957s) stopped
T12 >> 1462245085.84248590 Redistribute coefs (1.03231s) started
T12 << 1462245085.84959102 Redistribute coefs (1.03942s) stopped
T12 >> 1462245085.84966493 Send coefs to domains (25.91963s) started
T12 << 1462245085.98730206 Send coefs to domains (26.05726s) stopped
T12 << 1462245085.98772407 Blacs Orbital Layouts (6973.51942s) stopped
T12 >> 1462245085.98775101 Calculate projections (224.72557s) started
T12 << 1462245087.68921208 Calculate projections (226.42703s) stopped
T12 << 1462245087.68939495 LCAO eigensolver (8268.04913s) stopped
T12 >> 1462245090.85223007 Density (2014.57695s) started
T12 >> 1462245090.85224509 Pseudo density (1567.10153s) started
T12 >> 1462245090.85451293 Calculate density matrix (1472.40790s) started
T12 << 1462245103.80454397 Calculate density matrix (1485.35793s) stopped
T12 >> 1462245103.80459309 Construct density (92.22216s) started
T12 << 1462245104.54092693 Construct density (92.95849s) stopped
T12 >> 1462245104.55498195 Symmetrize density (0.01033s) started
T12 << 1462245104.55505300 Symmetrize density (0.01040s) stopped
T12 << 1462245104.55706501 Pseudo density (1580.80635s) stopped
T12 >> 1462245104.55715489 Atomic density matrices (392.26654s) started
T12 << 1462245107.76254606 Atomic density matrices (395.47194s) stopped
T12 >> 1462245107.76257801 Multipole moments (1.13120s) started
T12 << 1462245107.77263403 Multipole moments (1.14126s) stopped
T12 >> 1462245107.77266192 Normalize (0.87495s) started
T12 << 1462245107.77879906 Normalize (0.88109s) stopped
T12 >> 1462245107.77887893 Mix (53.19353s) started
T12 << 1462245108.17912412 Mix (53.59377s) stopped
T12 << 1462245108.17917204 Density (2031.90389s) stopped
T12 >> 1462245108.17919493 Hamiltonian (5638.01116s) started
T12 >> 1462245108.17920804 vbar (3.41723s) started
T12 << 1462245108.20851111 vbar (3.44654s) stopped
T12 >> 1462245108.20865011 XC 3D grid (3511.43107s) started
T12 >> 1462245108.70047808 van der Waals (3392.78226s) started
T12 >> 1462245108.81277108 semilocal (715.35245s) started
T12 << 1462245114.55445290 semilocal (721.09413s) stopped
T12 >> 1462245114.63284802 redistribute (361.21096s) started
T12 << 1462245115.66589403 redistribute (362.24401s) stopped
T12 >> 1462245115.66593695 libvdwxc nonlocal (2292.54252s) started
T12 << 1462245134.08973503 libvdwxc nonlocal (2310.96631s) stopped
T12 >> 1462245134.08981609 redistribute (362.24406s) started
T12 << 1462245135.77848411 redistribute (363.93273s) stopped
T12 << 1462245135.77965808 van der Waals (3419.86144s) stopped
T12 << 1462245136.23113394 XC 3D grid (3539.45356s) stopped
T12 >> 1462245136.23119593 Poisson (909.51412s) started
T12 << 1462245143.42931700 Poisson (916.71224s) stopped
T12 >> 1462245143.42939305 Hartree integrate/restrict (45.41639s) started
T12 << 1462245143.47502995 Hartree integrate/restrict (45.46203s) stopped
T12 >> 1462245143.47507691 Hartree integrate/restrict (45.46206s) started
T12 << 1462245143.78863502 Hartree integrate/restrict (45.77561s) stopped
T12 >> 1462245143.78886199 Atomic (295.94737s) started
T12 >> 1462245143.79044509 XC Correction (0.00411s) started
T12 << 1462245143.79046106 XC Correction (0.00413s) stopped
T12 << 1462245146.15559006 Atomic (298.31409s) stopped
T12 >> 1462245146.15572810 Communicate (872.21745s) started
T12 << 1462245153.56147099 Communicate (879.62319s) stopped
T12 << 1462245153.56150007 Hamiltonian (5683.39347s) stopped
T12 >> 1462245153.56152391 LCAO eigensolver (8268.04915s) started
T12 >> 1462245153.56153703 Potential matrix (127.18447s) started
T12 << 1462245154.52795601 Potential matrix (128.15089s) stopped
T12 >> 1462245154.52804303 DistributedAtomicCorrection (49.50137s) started
T12 << 1462245154.89908504 DistributedAtomicCorrection (49.87241s) stopped
T12 >> 1462245154.89913201 Distribute overlap matrix (890.76976s) started
T12 >> 1462245154.89915609 blocked summation (505.81777s) started
T12 << 1462245158.75014400 blocked summation (509.66876s) stopped
T12 >> 1462245158.75981402 Scalapack redistribute (383.65584s) started
T12 << 1462245161.68147111 Scalapack redistribute (386.57749s) stopped
T12 << 1462245161.68157697 Distribute overlap matrix (897.55221s) stopped
T12 >> 1462245161.68577600 Blacs Orbital Layouts (6973.51944s) started
T12 >> 1462245161.69458294 General diagonalize (6945.24964s) started
T12 << 1462245215.45793509 General diagonalize (6999.01299s) stopped
T12 >> 1462245215.45798993 Redistribute coefs (1.03948s) started
T12 << 1462245215.46604490 Redistribute coefs (1.04753s) stopped
T12 >> 1462245215.46609211 Send coefs to domains (26.05730s) started
T12 << 1462245215.58402491 Send coefs to domains (26.17523s) stopped
T12 << 1462245215.58446598 Blacs Orbital Layouts (7027.41813s) stopped
T12 >> 1462245215.58449697 Calculate projections (226.42708s) started
T12 << 1462245217.29962206 Calculate projections (228.14220s) stopped
T12 << 1462245217.30011201 LCAO eigensolver (8331.78774s) stopped
T12 >> 1462245220.44232607 Density (2031.90391s) started
T12 >> 1462245220.44234109 Pseudo density (1580.80643s) started
T12 >> 1462245220.44526196 Calculate density matrix (1485.35796s) started
T12 << 1462245232.35943389 Calculate density matrix (1497.27213s) stopped
T12 >> 1462245232.35948992 Construct density (92.95854s) started
T12 << 1462245233.09728193 Construct density (93.69634s) stopped
T12 >> 1462245233.11359906 Symmetrize density (0.01042s) started
T12 << 1462245233.11368108 Symmetrize density (0.01050s) stopped
T12 << 1462245233.11618209 Pseudo density (1593.48027s) stopped
T12 >> 1462245233.11625195 Atomic density matrices (395.47196s) started
T12 << 1462245236.16646504 Atomic density matrices (398.52217s) stopped
T12 >> 1462245236.16650105 Multipole moments (1.14127s) started
T12 << 1462245236.17653394 Multipole moments (1.15131s) stopped
T12 >> 1462245236.17656398 Normalize (0.88115s) started
T12 << 1462245236.18336201 Normalize (0.88795s) stopped
T12 >> 1462245236.18340898 Mix (53.59382s) started
T12 << 1462245236.65875697 Mix (54.06917s) stopped
T12 << 1462245236.65880489 Density (2048.12038s) stopped
T12 >> 1462245236.65883493 Hamiltonian (5683.39348s) started
T12 >> 1462245236.65884995 vbar (3.44662s) started
T12 << 1462245236.69332290 vbar (3.48109s) stopped
T12 >> 1462245236.69349599 XC 3D grid (3539.45361s) started
T12 >> 1462245237.16316605 van der Waals (3419.86148s) started
T12 >> 1462245237.27755499 semilocal (721.09423s) started
T12 << 1462245243.08592892 semilocal (726.90260s) stopped
T12 >> 1462245243.16510201 redistribute (363.93276s) started
T12 << 1462245244.11712503 redistribute (364.88479s) stopped
T12 >> 1462245244.11719894 libvdwxc nonlocal (2310.96637s) started
T12 << 1462245262.15041089 libvdwxc nonlocal (2328.99958s) stopped
T12 >> 1462245262.15048099 redistribute (364.88485s) started
T12 << 1462245264.09326506 redistribute (366.82763s) stopped
T12 << 1462245264.09425402 van der Waals (3446.79257s) stopped
T12 << 1462245264.54763889 XC 3D grid (3567.30775s) stopped
T12 >> 1462245264.54769206 Poisson (916.71229s) started
T12 << 1462245274.57687998 Poisson (926.74148s) stopped
T12 >> 1462245274.57698298 Hartree integrate/restrict (45.77565s) started
T12 << 1462245274.61486912 Hartree integrate/restrict (45.81354s) stopped
T12 >> 1462245274.61495495 Hartree integrate/restrict (45.81359s) started
T12 << 1462245274.93915105 Hartree integrate/restrict (46.13779s) stopped
T12 >> 1462245274.93940806 Atomic (298.31412s) started
T12 >> 1462245274.94106603 XC Correction (0.00414s) started
T12 << 1462245274.94108105 XC Correction (0.00416s) stopped
T12 << 1462245277.30406404 Atomic (300.67877s) stopped
T12 >> 1462245277.30420089 Communicate (879.62321s) started
T12 << 1462245284.67561793 Communicate (886.99462s) stopped
T12 << 1462245284.67565894 Hamiltonian (5731.41030s) stopped
T12 >> 1462245284.67568398 LCAO eigensolver (8331.78776s) started
T12 >> 1462245284.67569709 Potential matrix (128.15094s) started
T12 << 1462245285.63969803 Potential matrix (129.11494s) stopped
T12 >> 1462245285.63977695 DistributedAtomicCorrection (49.87245s) started
T12 << 1462245286.01665211 DistributedAtomicCorrection (50.24932s) stopped
T12 >> 1462245286.01670504 Distribute overlap matrix (897.55222s) started
T12 >> 1462245286.01672912 blocked summation (509.66879s) started
T12 << 1462245289.88112998 blocked summation (513.53319s) stopped
T12 >> 1462245289.89137506 Scalapack redistribute (386.57756s) started
T12 << 1462245292.72065401 Scalapack redistribute (389.40684s) stopped
T12 << 1462245292.72078490 Distribute overlap matrix (904.25630s) stopped
T12 >> 1462245292.72562408 Blacs Orbital Layouts (7027.41815s) started
T12 >> 1462245292.73450089 General diagonalize (6999.01303s) started
T12 << 1462245346.93645692 General diagonalize (7053.21499s) stopped
T12 >> 1462245346.93651199 Redistribute coefs (1.04757s) started
T12 << 1462245346.94434094 Redistribute coefs (1.05540s) stopped
T12 >> 1462245346.94440103 Send coefs to domains (26.17527s) started
T12 << 1462245347.03948903 Send coefs to domains (26.27036s) stopped
T12 << 1462245347.03986692 Blacs Orbital Layouts (7081.73240s) stopped
T12 >> 1462245347.03989697 Calculate projections (228.14226s) started
T12 << 1462245348.75486112 Calculate projections (229.85723s) stopped
T12 << 1462245348.75524998 LCAO eigensolver (8395.86733s) stopped
T12 >> 1462245351.89946198 Density (2048.12040s) started
T12 >> 1462245351.89947796 Pseudo density (1593.48032s) started
T12 >> 1462245351.90214300 Calculate density matrix (1497.27217s) started
T12 << 1462245363.75053310 Calculate density matrix (1509.12056s) stopped
T12 >> 1462245363.75058889 Construct density (93.69639s) started
T12 << 1462245364.48884702 Construct density (94.43465s) stopped
T12 >> 1462245364.50497508 Symmetrize density (0.01052s) started
T12 << 1462245364.50505710 Symmetrize density (0.01060s) stopped
T12 << 1462245364.50751591 Pseudo density (1606.08836s) stopped
T12 >> 1462245364.50758410 Atomic density matrices (398.52220s) started
T12 << 1462245367.63889408 Atomic density matrices (401.65351s) stopped
T12 >> 1462245367.63893104 Multipole moments (1.15132s) started
T12 << 1462245367.64886308 Multipole moments (1.16126s) stopped
T12 >> 1462245367.64888811 Normalize (0.88798s) started
T12 << 1462245367.65547395 Normalize (0.89457s) stopped
T12 >> 1462245367.65551591 Mix (54.06921s) started
T12 << 1462245368.19122601 Mix (54.60492s) stopped
T12 << 1462245368.19130611 Density (2064.41224s) stopped
T12 >> 1462245368.19133806 Hamiltonian (5731.41031s) started
T12 >> 1462245368.19135499 vbar (3.48118s) started
T12 << 1462245368.22569609 vbar (3.51552s) stopped
T12 >> 1462245368.22580099 XC 3D grid (3567.30780s) started
T12 >> 1462245368.68093300 van der Waals (3446.79259s) started
T12 >> 1462245368.79061103 semilocal (726.90265s) started
T12 << 1462245374.51262999 semilocal (732.62467s) stopped
T12 >> 1462245374.59087706 redistribute (366.82769s) started
T12 << 1462245375.62699795 redistribute (367.86381s) stopped
T12 >> 1462245375.62704110 libvdwxc nonlocal (2328.99963s) started
T12 << 1462245393.97785497 libvdwxc nonlocal (2347.35045s) stopped
T12 >> 1462245393.97791791 redistribute (367.86385s) started
T12 << 1462245395.65764499 redistribute (369.54357s) stopped
T12 << 1462245395.65924191 van der Waals (3473.77090s) stopped
T12 << 1462245396.11475611 XC 3D grid (3595.19675s) stopped
T12 >> 1462245396.11481500 Poisson (926.74155s) started
T12 << 1462245401.84812307 Poisson (932.47486s) stopped
T12 >> 1462245401.84824705 Hartree integrate/restrict (46.13784s) started
T12 << 1462245401.89390397 Hartree integrate/restrict (46.18349s) stopped
T12 >> 1462245401.89396906 Hartree integrate/restrict (46.18354s) started
T12 << 1462245402.25117803 Hartree integrate/restrict (46.54075s) stopped
T12 >> 1462245402.25150895 Atomic (300.67880s) started
T12 >> 1462245402.25359893 XC Correction (0.00417s) started
T12 << 1462245402.25363398 XC Correction (0.00421s) stopped
T12 << 1462245404.60352993 Atomic (303.03082s) stopped
T12 >> 1462245404.60364103 Communicate (886.99465s) started
T12 << 1462245411.85062194 Communicate (894.24163s) stopped
T12 << 1462245411.85065198 Hamiltonian (5775.06963s) stopped
T12 >> 1462245411.85067511 LCAO eigensolver (8395.86738s) started
T12 >> 1462245411.85068798 Potential matrix (129.11499s) started
T12 << 1462245412.79485202 Potential matrix (130.05915s) stopped
T12 >> 1462245412.79493999 DistributedAtomicCorrection (50.24936s) started
T12 << 1462245413.16301990 DistributedAtomicCorrection (50.61744s) stopped
T12 >> 1462245413.16306901 Distribute overlap matrix (904.25631s) started
T12 >> 1462245413.16308999 blocked summation (513.53325s) started
T12 << 1462245416.95004010 blocked summation (517.32020s) stopped
T12 >> 1462245416.96061802 Scalapack redistribute (389.40691s) started
T12 << 1462245419.99040294 Scalapack redistribute (392.43669s) stopped
T12 << 1462245419.99050999 Distribute overlap matrix (911.08376s) stopped
T12 >> 1462245419.99460006 Blacs Orbital Layouts (7081.73242s) started
T12 >> 1462245420.00302005 General diagonalize (7053.21503s) started
T12 << 1462245473.43017697 General diagonalize (7106.64219s) stopped
T12 >> 1462245473.43022108 Redistribute coefs (1.05544s) started
T12 << 1462245473.43760896 Redistribute coefs (1.06283s) stopped
T12 >> 1462245473.43768311 Send coefs to domains (26.27040s) started
T12 << 1462245473.54899311 Send coefs to domains (26.38171s) stopped
T12 << 1462245473.54937601 Blacs Orbital Layouts (7135.28719s) stopped
T12 >> 1462245473.54940391 Calculate projections (229.85728s) started
T12 << 1462245475.25385094 Calculate projections (231.56173s) stopped
T12 << 1462245475.25416708 LCAO eigensolver (8459.27087s) stopped
T12 >> 1462245478.40471601 Density (2064.41226s) started
T12 >> 1462245478.40473008 Pseudo density (1606.08841s) started
T12 >> 1462245478.40743589 Calculate density matrix (1509.12060s) started
T12 << 1462245490.45350003 Calculate density matrix (1521.16666s) stopped
T12 >> 1462245490.45354891 Construct density (94.43471s) started
T12 << 1462245491.19016695 Construct density (95.17133s) stopped
T12 >> 1462245491.20404410 Symmetrize density (0.01062s) started
T12 << 1462245491.20410991 Symmetrize density (0.01068s) stopped
T12 << 1462245491.20619202 Pseudo density (1618.88988s) stopped
T12 >> 1462245491.20624995 Atomic density matrices (401.65354s) started
T12 << 1462245494.35429907 Atomic density matrices (404.80159s) stopped
T12 >> 1462245494.35433102 Multipole moments (1.16127s) started
T12 << 1462245494.36441803 Multipole moments (1.17136s) stopped
T12 >> 1462245494.36444211 Normalize (0.89460s) started
T12 << 1462245494.37053895 Normalize (0.90070s) stopped
T12 >> 1462245494.37062192 Mix (54.60500s) started
T12 << 1462245494.79095411 Mix (55.02533s) stopped
T12 << 1462245494.79098701 Density (2080.79853s) stopped
T12 >> 1462245494.79101205 Hamiltonian (5775.06964s) started
T12 >> 1462245494.79102612 vbar (3.51558s) started
T12 << 1462245494.81103492 vbar (3.53559s) stopped
T12 >> 1462245494.81111002 XC 3D grid (3595.19680s) started
T12 >> 1462245495.31476808 van der Waals (3473.77096s) started
T12 >> 1462245495.42539096 semilocal (732.62476s) started
T12 << 1462245501.17840695 semilocal (738.37777s) stopped
T12 >> 1462245501.25573111 redistribute (369.54361s) started
T12 << 1462245502.28803992 redistribute (370.57592s) stopped
T12 >> 1462245502.28810501 libvdwxc nonlocal (2347.35049s) started
T12 << 1462245520.71120310 libvdwxc nonlocal (2365.77359s) stopped
T12 >> 1462245520.71126509 redistribute (370.57597s) started
T12 << 1462245522.46517611 redistribute (372.32988s) stopped
T12 << 1462245522.46683693 van der Waals (3500.92303s) stopped
T12 << 1462245522.92008901 XC 3D grid (3623.30578s) stopped
T12 >> 1462245522.92012906 Poisson (932.47496s) started
T12 << 1462245528.70949602 Poisson (938.26432s) stopped
T12 >> 1462245528.70957208 Hartree integrate/restrict (46.54080s) started
T12 << 1462245528.75099802 Hartree integrate/restrict (46.58222s) stopped
T12 >> 1462245528.75104403 Hartree integrate/restrict (46.58225s) started
T12 << 1462245529.09690809 Hartree integrate/restrict (46.92812s) stopped
T12 >> 1462245529.09724689 Atomic (303.03084s) started
T12 >> 1462245529.09885693 XC Correction (0.00422s) started
T12 << 1462245529.09887409 XC Correction (0.00424s) stopped
T12 << 1462245531.44800210 Atomic (305.38160s) stopped
T12 >> 1462245531.44809294 Communicate (894.24165s) started
T12 << 1462245538.65350699 Communicate (901.44706s) stopped
T12 << 1462245538.65353990 Hamiltonian (5818.93217s) stopped
T12 >> 1462245538.65356302 LCAO eigensolver (8459.27089s) started
T12 >> 1462245538.65357494 Potential matrix (130.05920s) started
T12 << 1462245539.60546398 Potential matrix (131.01109s) stopped
T12 >> 1462245539.60553408 DistributedAtomicCorrection (50.61748s) started
T12 << 1462245539.97257090 DistributedAtomicCorrection (50.98452s) stopped
T12 >> 1462245539.97262096 Distribute overlap matrix (911.08377s) started
T12 >> 1462245539.97264290 blocked summation (517.32023s) started
T12 << 1462245543.74826407 blocked summation (521.09585s) stopped
T12 >> 1462245543.75931597 Scalapack redistribute (392.43676s) started
T12 << 1462245546.79857898 Scalapack redistribute (395.47602s) stopped
T12 << 1462245546.79868102 Distribute overlap matrix (917.90983s) stopped
T12 >> 1462245546.80280209 Blacs Orbital Layouts (7135.28721s) started
T12 >> 1462245546.81116009 General diagonalize (7106.64223s) started
T12 << 1462245600.51595092 General diagonalize (7160.34702s) stopped
T12 >> 1462245600.51602101 Redistribute coefs (1.06289s) started
T12 << 1462245600.52354503 Redistribute coefs (1.07042s) stopped
T12 >> 1462245600.52361393 Send coefs to domains (26.38174s) started
T12 << 1462245600.73104501 Send coefs to domains (26.58917s) stopped
T12 << 1462245600.73137903 Blacs Orbital Layouts (7189.21579s) stopped
T12 >> 1462245600.73140597 Calculate projections (231.56178s) started
T12 << 1462245602.43575311 Calculate projections (233.26612s) stopped
T12 << 1462245602.43609190 LCAO eigensolver (8523.05342s) stopped
T12 >> 1462245605.57663703 Density (2080.79854s) started
T12 >> 1462245605.57665205 Pseudo density (1618.88992s) started
T12 >> 1462245605.57950211 Calculate density matrix (1521.16670s) started
T12 << 1462245617.44598889 Calculate density matrix (1533.03318s) stopped
T12 >> 1462245617.44603705 Construct density (95.17138s) started
T12 << 1462245618.18144393 Construct density (95.90679s) stopped
T12 >> 1462245618.19498610 Symmetrize density (0.01070s) started
T12 << 1462245618.19505191 Symmetrize density (0.01077s) stopped
T12 << 1462245618.19711900 Pseudo density (1631.51039s) stopped
T12 >> 1462245618.19717789 Atomic density matrices (404.80162s) started
T12 << 1462245621.38081408 Atomic density matrices (407.98525s) stopped
T12 >> 1462245621.38084698 Multipole moments (1.17138s) started
T12 << 1462245621.39070511 Multipole moments (1.18123s) stopped
T12 >> 1462245621.39072800 Normalize (0.90076s) started
T12 << 1462245621.39682388 Normalize (0.90686s) stopped
T12 >> 1462245621.39690995 Mix (55.02537s) started
T12 << 1462245621.86102200 Mix (55.48948s) stopped
T12 << 1462245621.86106801 Density (2097.08297s) stopped
T12 >> 1462245621.86109400 Hamiltonian (5818.93218s) started
T12 >> 1462245621.86110902 vbar (3.53563s) started
T12 << 1462245621.89181399 vbar (3.56633s) stopped
T12 >> 1462245621.89202404 XC 3D grid (3623.30581s) started
T12 >> 1462245622.35519910 van der Waals (3500.92307s) started
T12 >> 1462245622.46533203 semilocal (738.37789s) started
T12 << 1462245628.19984889 semilocal (744.11241s) stopped
T12 >> 1462245628.29223490 redistribute (372.32992s) started
T12 << 1462245629.29615498 redistribute (373.33384s) stopped
T12 >> 1462245629.29619694 libvdwxc nonlocal (2365.77364s) started
T12 << 1462245647.84192109 libvdwxc nonlocal (2384.31936s) stopped
T12 >> 1462245647.84198499 redistribute (373.33387s) started
T12 << 1462245649.57714891 redistribute (375.06903s) stopped
T12 << 1462245649.57874894 van der Waals (3528.14662s) stopped
T12 << 1462245650.02857590 XC 3D grid (3651.44237s) stopped
T12 >> 1462245650.02861500 Poisson (938.26438s) started
T12 << 1462245655.78956389 Poisson (944.02533s) stopped
T12 >> 1462245655.78963804 Hartree integrate/restrict (46.92819s) started
T12 << 1462245655.83141589 Hartree integrate/restrict (46.96997s) stopped
T12 >> 1462245655.83146095 Hartree integrate/restrict (46.97000s) started
T12 << 1462245656.15274906 Hartree integrate/restrict (47.29129s) stopped
T12 >> 1462245656.15301800 Atomic (305.38162s) started
T12 >> 1462245656.15453792 XC Correction (0.00425s) started
T12 << 1462245656.15455198 XC Correction (0.00426s) stopped
T12 << 1462245658.51846004 Atomic (307.74706s) stopped
T12 >> 1462245658.51854300 Communicate (901.44709s) started
T12 << 1462245665.60888600 Communicate (908.53743s) stopped
T12 << 1462245665.60891509 Hamiltonian (5862.68000s) stopped
T12 >> 1462245665.60893703 LCAO eigensolver (8523.05344s) started
T12 >> 1462245665.60894990 Potential matrix (131.01113s) started
T12 << 1462245666.56409693 Potential matrix (131.96628s) stopped
T12 >> 1462245666.56416702 DistributedAtomicCorrection (50.98456s) started
T12 << 1462245666.93519402 DistributedAtomicCorrection (51.35558s) stopped
T12 >> 1462245666.93524408 Distribute overlap matrix (917.90984s) started
T12 >> 1462245666.93526602 blocked summation (521.09588s) started
T12 << 1462245670.69435191 blocked summation (524.85497s) stopped
T12 >> 1462245670.70416093 Scalapack redistribute (395.47608s) started
T12 << 1462245673.73156500 Scalapack redistribute (398.50348s) stopped
T12 << 1462245673.73166609 Distribute overlap matrix (924.70626s) stopped
T12 >> 1462245673.73596692 Blacs Orbital Layouts (7189.21581s) started
T12 >> 1462245673.74464202 General diagonalize (7160.34708s) started
T12 << 1462245727.52926493 General diagonalize (7214.13170s) stopped
T12 >> 1462245727.52931809 Redistribute coefs (1.07047s) started
T12 << 1462245727.53808403 Redistribute coefs (1.07924s) stopped
T12 >> 1462245727.53813505 Send coefs to domains (26.58920s) started
T12 << 1462245727.66421199 Send coefs to domains (26.71528s) stopped
T12 << 1462245727.66461897 Blacs Orbital Layouts (7243.14446s) stopped
T12 >> 1462245727.66464806 Calculate projections (233.26618s) started
T12 << 1462245729.38229394 Calculate projections (234.98383s) stopped
T12 << 1462245729.38272810 LCAO eigensolver (8586.82723s) stopped
T12 >> 1462245732.52099609 Density (2097.08299s) started
T12 >> 1462245732.52101207 Pseudo density (1631.51044s) started
T12 >> 1462245732.52439189 Calculate density matrix (1533.03322s) started
T12 << 1462245745.72075295 Calculate density matrix (1546.22958s) stopped
T12 >> 1462245745.72080398 Construct density (95.90683s) started
T12 << 1462245746.45840001 Construct density (96.64443s) stopped
T12 >> 1462245746.47221994 Symmetrize density (0.01078s) started
T12 << 1462245746.47229004 Symmetrize density (0.01085s) stopped
T12 << 1462245746.47435403 Pseudo density (1645.46378s) stopped
T12 >> 1462245746.47441196 Atomic density matrices (407.98528s) started
T12 << 1462245749.61731601 Atomic density matrices (411.12818s) stopped
T12 >> 1462245749.61734891 Multipole moments (1.18125s) started
T12 << 1462245749.62733006 Multipole moments (1.19123s) stopped
T12 >> 1462245749.62735510 Normalize (0.90693s) started
T12 << 1462245749.63369894 Normalize (0.91327s) stopped
T12 >> 1462245749.63381910 Mix (55.48953s) started
T12 << 1462245750.07317400 Mix (55.92888s) stopped
T12 << 1462245750.07323408 Density (2114.63523s) stopped
T12 >> 1462245750.07326102 Hamiltonian (5862.68001s) started
T12 >> 1462245750.07327604 vbar (3.56645s) started
T12 << 1462245750.10030699 vbar (3.59348s) stopped
T12 >> 1462245750.10042095 XC 3D grid (3651.44240s) started
T12 >> 1462245750.58983493 van der Waals (3528.14665s) started
T12 >> 1462245750.70101690 semilocal (744.11250s) started
T12 << 1462245756.50763392 semilocal (749.91912s) stopped
T12 >> 1462245756.58575201 redistribute (375.06907s) started
T12 << 1462245757.53174400 redistribute (376.01506s) stopped
T12 >> 1462245757.53181696 libvdwxc nonlocal (2384.31941s) started
T12 << 1462245776.37952995 libvdwxc nonlocal (2403.16713s) stopped
T12 >> 1462245776.37959409 redistribute (376.01512s) started
T12 << 1462245778.21204710 redistribute (377.84757s) stopped
T12 << 1462245778.21309996 van der Waals (3555.76991s) stopped
T12 << 1462245778.66640711 XC 3D grid (3680.00838s) stopped
T12 >> 1462245778.66646600 Poisson (944.02539s) started
T12 << 1462245783.07765007 Poisson (948.43657s) stopped
T12 >> 1462245783.07776403 Hartree integrate/restrict (47.29134s) started
T12 << 1462245783.12211609 Hartree integrate/restrict (47.33569s) stopped
T12 >> 1462245783.12215996 Hartree integrate/restrict (47.33572s) started
T12 << 1462245783.43530512 Hartree integrate/restrict (47.64887s) stopped
T12 >> 1462245783.43556499 Atomic (307.74708s) started
T12 >> 1462245783.43725610 XC Correction (0.00427s) started
T12 << 1462245783.43727112 XC Correction (0.00429s) stopped
T12 << 1462245785.80507994 Atomic (310.11660s) stopped
T12 >> 1462245785.80516005 Communicate (908.53745s) started
T12 << 1462245792.90783405 Communicate (915.64012s) stopped
T12 << 1462245792.90786695 Hamiltonian (5905.51462s) stopped
T12 >> 1462245792.90789104 LCAO eigensolver (8586.82725s) started
T12 >> 1462245792.90790296 Potential matrix (131.96632s) started
T12 << 1462245793.86592102 Potential matrix (132.92434s) stopped
T12 >> 1462245793.86599112 DistributedAtomicCorrection (51.35562s) started
T12 << 1462245794.23791909 DistributedAtomicCorrection (51.72755s) stopped
T12 >> 1462245794.23796892 Distribute overlap matrix (924.70627s) started
T12 >> 1462245794.23801804 blocked summation (524.85500s) started
T12 << 1462245797.97720695 blocked summation (528.59419s) stopped
T12 >> 1462245797.98698306 Scalapack redistribute (398.50355s) started
T12 << 1462245801.03685808 Scalapack redistribute (401.55342s) stopped
T12 << 1462245801.03695893 Distribute overlap matrix (931.50526s) stopped
T12 >> 1462245801.04153299 Blacs Orbital Layouts (7243.14448s) started
T12 >> 1462245801.05005288 General diagonalize (7214.13174s) started
T12 << 1462245855.37578797 General diagonalize (7268.45748s) stopped
T12 >> 1462245855.37586999 Redistribute coefs (1.07928s) started
T12 << 1462245855.38328910 Redistribute coefs (1.08670s) stopped
T12 >> 1462245855.38336611 Send coefs to domains (26.71532s) started
T12 << 1462245855.63986301 Send coefs to domains (26.97182s) stopped
T12 << 1462245855.64032102 Blacs Orbital Layouts (7297.74326s) stopped
T12 >> 1462245855.64034796 Calculate projections (234.98388s) started
T12 << 1462245857.34423399 Calculate projections (236.68777s) stopped
T12 << 1462245857.34459400 LCAO eigensolver (8651.26395s) stopped
T12 >> 1462245860.47518802 Density (2114.63524s) started
T12 >> 1462245860.47520304 Pseudo density (1645.46383s) started
T12 >> 1462245860.47747707 Calculate density matrix (1546.22962s) started
T12 << 1462245872.41543889 Calculate density matrix (1558.16758s) stopped
T12 >> 1462245872.41548800 Construct density (96.64448s) started
T12 << 1462245873.15302205 Construct density (97.38202s) stopped
T12 >> 1462245873.16689801 Symmetrize density (0.01087s) started
T12 << 1462245873.16696906 Symmetrize density (0.01094s) stopped
T12 << 1462245873.16904211 Pseudo density (1658.15766s) stopped
T12 >> 1462245873.16909790 Atomic density matrices (411.12820s) started
T12 << 1462245876.30148101 Atomic density matrices (414.26059s) stopped
T12 >> 1462245876.30151391 Multipole moments (1.19125s) started
T12 << 1462245876.31146002 Multipole moments (1.20119s) stopped
T12 >> 1462245876.31148291 Normalize (0.91337s) started
T12 << 1462245876.31773400 Normalize (0.91962s) stopped
T12 >> 1462245876.31778312 Mix (55.92894s) started
T12 << 1462245876.76479197 Mix (56.37595s) stopped
T12 << 1462245876.76482296 Density (2130.92487s) stopped
T12 >> 1462245876.76484609 Hamiltonian (5905.51463s) started
T12 >> 1462245876.76486111 vbar (3.59354s) started
T12 << 1462245876.79636097 vbar (3.62504s) stopped
T12 >> 1462245876.79652905 XC 3D grid (3680.00843s) started
T12 >> 1462245877.27015495 van der Waals (3555.76995s) started
T12 >> 1462245877.38405895 semilocal (749.91920s) started
T12 << 1462245883.22925806 semilocal (755.76440s) stopped
T12 >> 1462245883.30365109 redistribute (377.84761s) started
T12 << 1462245884.25833702 redistribute (378.80229s) stopped
T12 >> 1462245884.25839996 libvdwxc nonlocal (2403.16718s) started
T12 << 1462245902.95504904 libvdwxc nonlocal (2421.86383s) stopped
T12 >> 1462245902.95511293 redistribute (378.80234s) started
T12 << 1462245904.67184496 redistribute (380.51907s) stopped
T12 << 1462245904.67328596 van der Waals (3583.17308s) stopped
T12 << 1462245905.12818193 XC 3D grid (3708.34008s) stopped
T12 >> 1462245905.12822294 Poisson (948.43666s) started
T12 << 1462245910.90619206 Poisson (954.21463s) stopped
T12 >> 1462245910.90626001 Hartree integrate/restrict (47.64892s) started
T12 << 1462245910.95176792 Hartree integrate/restrict (47.69443s) stopped
T12 >> 1462245910.95181608 Hartree integrate/restrict (47.69446s) started
T12 << 1462245911.27144408 Hartree integrate/restrict (48.01409s) stopped
T12 >> 1462245911.27172589 Atomic (310.11662s) started
T12 >> 1462245911.27384806 XC Correction (0.00430s) started
T12 << 1462245911.27388906 XC Correction (0.00434s) stopped
T12 << 1462245913.63133693 Atomic (312.47623s) stopped
T12 >> 1462245913.63141704 Communicate (915.64014s) started
T12 << 1462245920.74548888 Communicate (922.75421s) stopped
T12 << 1462245920.74551702 Hamiltonian (5949.49530s) stopped
T12 >> 1462245920.74553895 LCAO eigensolver (8651.26397s) started
T12 >> 1462245920.74555111 Potential matrix (132.92438s) started
T12 << 1462245921.69889498 Potential matrix (133.87773s) stopped
T12 >> 1462245921.69897699 DistributedAtomicCorrection (51.72759s) started
T12 << 1462245922.06572700 DistributedAtomicCorrection (52.09434s) stopped
T12 >> 1462245922.06578112 Distribute overlap matrix (931.50528s) started
T12 >> 1462245922.06580210 blocked summation (528.59422s) started
T12 << 1462245925.84159207 blocked summation (532.37001s) stopped
T12 >> 1462245925.85102391 Scalapack redistribute (401.55348s) started
T12 << 1462245928.88087010 Scalapack redistribute (404.58332s) stopped
T12 << 1462245928.88096595 Distribute overlap matrix (938.32046s) stopped
T12 >> 1462245928.88535500 Blacs Orbital Layouts (7297.74328s) started
T12 >> 1462245928.89366508 General diagonalize (7268.45754s) started
T12 << 1462245982.35785794 General diagonalize (7321.92174s) stopped
T12 >> 1462245982.35791302 Redistribute coefs (1.08676s) started
T12 << 1462245982.36596203 Redistribute coefs (1.09481s) stopped
T12 >> 1462245982.36600709 Send coefs to domains (26.97185s) started
T12 << 1462245982.62802291 Send coefs to domains (27.23386s) stopped
T12 << 1462245982.62848711 Blacs Orbital Layouts (7351.48642s) stopped
T12 >> 1462245982.62851691 Calculate projections (236.68782s) started
T12 << 1462245984.34380102 Calculate projections (238.40310s) stopped
T12 << 1462245984.34427190 LCAO eigensolver (8714.86270s) stopped
T12 >> 1462245987.47075009 Density (2130.92489s) started
T12 >> 1462245987.47076511 Pseudo density (1658.15771s) started
T12 >> 1462245987.47347689 Calculate density matrix (1558.16761s) started
T12 << 1462245999.33605599 Calculate density matrix (1570.03019s) stopped
T12 >> 1462245999.33611202 Construct density (97.38207s) started
T12 << 1462246000.07493997 Construct density (98.12090s) stopped
T12 >> 1462246000.09203100 Symmetrize density (0.01096s) started
T12 << 1462246000.09211302 Symmetrize density (0.01104s) stopped
T12 << 1462246000.09456396 Pseudo density (1670.78151s) stopped
T12 >> 1462246000.09463406 Atomic density matrices (414.26061s) started
T12 << 1462246003.22506309 Atomic density matrices (417.39104s) stopped
T12 >> 1462246003.22509909 Multipole moments (1.20121s) started
T12 << 1462246003.23503089 Multipole moments (1.21114s) stopped
T12 >> 1462246003.23505592 Normalize (0.91965s) started
T12 << 1462246003.24185205 Normalize (0.92645s) stopped
T12 >> 1462246003.24189806 Mix (56.37598s) started
T12 << 1462246003.67975903 Mix (56.81384s) stopped
T12 << 1462246003.67982507 Density (2147.13396s) stopped
T12 >> 1462246003.67985296 Hamiltonian (5949.49531s) started
T12 >> 1462246003.67986703 vbar (3.62514s) started
T12 << 1462246003.70712209 vbar (3.65239s) stopped
T12 >> 1462246003.70722508 XC 3D grid (3708.34012s) started
T12 >> 1462246004.18197203 van der Waals (3583.17311s) started
T12 >> 1462246004.29729700 semilocal (755.76445s) started
T12 << 1462246010.06269908 semilocal (761.52986s) stopped
T12 >> 1462246010.13295102 redistribute (380.51913s) started
T12 << 1462246011.13696694 redistribute (381.52314s) stopped
T12 >> 1462246011.13704205 libvdwxc nonlocal (2421.86388s) started
T12 << 1462246029.36858797 libvdwxc nonlocal (2440.09542s) stopped
T12 >> 1462246029.36865807 redistribute (381.52320s) started
T12 << 1462246031.45868707 redistribute (383.61323s) stopped
T12 << 1462246031.45979095 van der Waals (3610.45093s) stopped
T12 << 1462246031.91353393 XC 3D grid (3736.54643s) stopped
T12 >> 1462246031.91360307 Poisson (954.21468s) started
T12 << 1462246036.25883698 Poisson (958.55991s) stopped
T12 >> 1462246036.25890994 Hartree integrate/restrict (48.01412s) started
T12 << 1462246036.29733491 Hartree integrate/restrict (48.05255s) stopped
T12 >> 1462246036.29747295 Hartree integrate/restrict (48.05264s) started
T12 << 1462246036.62744904 Hartree integrate/restrict (48.38262s) stopped
T12 >> 1462246036.62769699 Atomic (312.47625s) started
T12 >> 1462246036.62931204 XC Correction (0.00435s) started
T12 << 1462246036.62932897 XC Correction (0.00437s) stopped
T12 << 1462246038.99682498 Atomic (314.84538s) stopped
T12 >> 1462246038.99694204 Communicate (922.75423s) started
T12 << 1462246046.11214304 Communicate (929.86943s) stopped
T12 << 1462246046.11218309 Hamiltonian (5991.92764s) stopped
T12 >> 1462246046.11221004 LCAO eigensolver (8714.86272s) started
T12 >> 1462246046.11222410 Potential matrix (133.87778s) started
T12 << 1462246047.06622791 Potential matrix (134.83178s) stopped
T12 >> 1462246047.06632304 DistributedAtomicCorrection (52.09438s) started
T12 << 1462246047.46596098 DistributedAtomicCorrection (52.49401s) stopped
T12 >> 1462246047.46601295 Distribute overlap matrix (938.32047s) started
T12 >> 1462246047.46603799 blocked summation (532.37004s) started
T12 << 1462246051.20096993 blocked summation (536.10497s) stopped
T12 >> 1462246051.21058202 Scalapack redistribute (404.58337s) started
T12 << 1462246054.45556688 Scalapack redistribute (407.82836s) stopped
T12 << 1462246054.45567298 Distribute overlap matrix (945.31013s) stopped
T12 >> 1462246054.45997310 Blacs Orbital Layouts (7351.48644s) started
T12 >> 1462246054.46855807 General diagonalize (7321.92178s) started
T12 << 1462246105.38044095 General diagonalize (7372.83367s) stopped
T12 >> 1462246105.38052797 Redistribute coefs (1.09484s) started
T12 << 1462246105.38900495 Redistribute coefs (1.10332s) stopped
T12 >> 1462246105.38905311 Send coefs to domains (27.23391s) started
T12 << 1462246105.74158311 Send coefs to domains (27.58644s) stopped
T12 << 1462246105.74200106 Blacs Orbital Layouts (7402.76846s) stopped
T12 >> 1462246105.74203205 Calculate projections (238.40316s) started
T12 << 1462246107.45687008 Calculate projections (240.11800s) stopped
T12 << 1462246107.45723796 LCAO eigensolver (8776.20775s) stopped
T12 >> 1462246110.58075809 Density (2147.13398s) started
T12 >> 1462246110.58077407 Pseudo density (1670.78156s) started
T12 >> 1462246110.58334994 Calculate density matrix (1570.03023s) started
T12 << 1462246122.49880004 Calculate density matrix (1581.94568s) stopped
T12 >> 1462246122.49885893 Construct density (98.12095s) started
T12 << 1462246123.23902106 Construct density (98.86111s) stopped
T12 >> 1462246123.25512290 Symmetrize density (0.01106s) started
T12 << 1462246123.25520396 Symmetrize density (0.01114s) stopped
T12 << 1462246123.25766492 Pseudo density (1683.45846s) stopped
T12 >> 1462246123.25773311 Atomic density matrices (417.39107s) started
T12 << 1462246126.38221693 Atomic density matrices (420.51556s) stopped
T12 >> 1462246126.38225389 Multipole moments (1.21116s) started
T12 << 1462246126.39226794 Multipole moments (1.22117s) stopped
T12 >> 1462246126.39229393 Normalize (0.92648s) started
T12 << 1462246126.39884901 Normalize (0.93304s) stopped
T12 >> 1462246126.39889407 Mix (56.81391s) started
T12 << 1462246126.83759189 Mix (57.25260s) stopped
T12 << 1462246126.83763909 Density (2163.39086s) stopped
T12 >> 1462246126.83767009 Hamiltonian (5991.92765s) started
T12 >> 1462246126.83768606 vbar (3.65245s) started
T12 << 1462246126.87096500 vbar (3.68573s) stopped
T12 >> 1462246126.87112498 XC 3D grid (3736.54648s) started
T12 >> 1462246127.33360505 van der Waals (3610.45095s) started
T12 >> 1462246127.44730592 semilocal (761.52997s) started
T12 << 1462246133.16743803 semilocal (767.25010s) stopped
T12 >> 1462246133.24290490 redistribute (383.61330s) started
T12 << 1462246134.31204009 redistribute (384.68243s) stopped
T12 >> 1462246134.31209111 libvdwxc nonlocal (2440.09547s) started
T12 << 1462246152.59404492 libvdwxc nonlocal (2458.37743s) stopped
T12 >> 1462246152.59412098 redistribute (384.68247s) started
T12 << 1462246154.59098697 redistribute (386.67934s) stopped
T12 << 1462246154.59217691 van der Waals (3637.70952s) stopped
T12 << 1462246155.04656506 XC 3D grid (3764.72192s) stopped
T12 >> 1462246155.04661489 Poisson (958.55996s) started
T12 << 1462246159.39648294 Poisson (962.90983s) stopped
T12 >> 1462246159.39656401 Hartree integrate/restrict (48.38266s) started
T12 << 1462246159.43416691 Hartree integrate/restrict (48.42026s) stopped
T12 >> 1462246159.43430209 Hartree integrate/restrict (48.42035s) started
T12 << 1462246159.76153898 Hartree integrate/restrict (48.74759s) stopped
T12 >> 1462246159.76179290 Atomic (314.84543s) started
T12 >> 1462246159.76345396 XC Correction (0.00438s) started
T12 << 1462246159.76347089 XC Correction (0.00440s) stopped
T12 << 1462246162.12445593 Atomic (317.20810s) stopped
T12 >> 1462246162.12454391 Communicate (929.86946s) started
T12 << 1462246169.22796011 Communicate (936.97288s) stopped
T12 << 1462246169.22799611 Hamiltonian (6034.31798s) stopped
T12 >> 1462246169.22801995 LCAO eigensolver (8776.20777s) started
T12 >> 1462246169.22803307 Potential matrix (134.83183s) started
T12 << 1462246170.18411803 Potential matrix (135.78792s) stopped
T12 >> 1462246170.18421698 DistributedAtomicCorrection (52.49405s) started
T12 << 1462246170.55376792 DistributedAtomicCorrection (52.86360s) stopped
T12 >> 1462246170.55381989 Distribute overlap matrix (945.31015s) started
T12 >> 1462246170.55384803 blocked summation (536.10500s) started
T12 << 1462246174.30232501 blocked summation (539.85348s) stopped
T12 >> 1462246174.31348896 Scalapack redistribute (407.82841s) started
T12 << 1462246177.38106394 Scalapack redistribute (410.89599s) stopped
T12 << 1462246177.38119793 Distribute overlap matrix (952.13752s) stopped
T12 >> 1462246177.38579893 Blacs Orbital Layouts (7402.76848s) started
T12 >> 1462246177.39483905 General diagonalize (7372.83374s) started
T12 << 1462246230.75970602 General diagonalize (7426.19861s) stopped
T12 >> 1462246230.75978398 Redistribute coefs (1.10336s) started
T12 << 1462246230.76830292 Redistribute coefs (1.11188s) stopped
T12 >> 1462246230.76834893 Send coefs to domains (27.58647s) started
T12 << 1462246230.86247396 Send coefs to domains (27.68060s) stopped
T12 << 1462246230.86286497 Blacs Orbital Layouts (7456.24555s) stopped
T12 >> 1462246230.86289501 Calculate projections (240.11806s) started
T12 << 1462246232.57722902 Calculate projections (241.83239s) stopped
T12 << 1462246232.57761097 LCAO eigensolver (8839.55736s) stopped
T12 >> 1462246235.69970703 Density (2163.39087s) started
T12 >> 1462246235.69972205 Pseudo density (1683.45851s) started
T12 >> 1462246235.70299792 Calculate density matrix (1581.94572s) started
T12 << 1462246247.57899690 Calculate density matrix (1593.82172s) stopped
T12 >> 1462246247.57905412 Construct density (98.86117s) started
T12 << 1462246248.31856394 Construct density (99.60068s) stopped
T12 >> 1462246248.33476996 Symmetrize density (0.01116s) started
T12 << 1462246248.33485389 Symmetrize density (0.01125s) stopped
T12 << 1462246248.33731389 Pseudo density (1696.09610s) stopped
T12 >> 1462246248.33738303 Atomic density matrices (420.51559s) started
T12 << 1462246251.45453405 Atomic density matrices (423.63274s) stopped
T12 >> 1462246251.45456910 Multipole moments (1.22119s) started
T12 << 1462246251.46452403 Multipole moments (1.23114s) stopped
T12 >> 1462246251.46455097 Normalize (0.93307s) started
T12 << 1462246251.47225308 Normalize (0.94077s) stopped
T12 >> 1462246251.47230792 Mix (57.25265s) started
T12 << 1462246251.89942908 Mix (57.67977s) stopped
T12 << 1462246251.89948511 Density (2179.59065s) stopped
T12 >> 1462246251.89951396 Hamiltonian (6034.31799s) started
T12 >> 1462246251.89952898 vbar (3.68581s) started
T12 << 1462246251.92966008 vbar (3.71594s) stopped
T12 >> 1462246251.92977595 XC 3D grid (3764.72196s) started
T12 >> 1462246252.40045094 van der Waals (3637.70955s) started
T12 >> 1462246252.51372790 semilocal (767.25017s) started
T12 << 1462246258.22230506 semilocal (772.95875s) stopped
T12 >> 1462246258.30117607 redistribute (386.67938s) started
T12 << 1462246259.36394811 redistribute (387.74215s) stopped
T12 >> 1462246259.36401892 libvdwxc nonlocal (2458.37749s) started
T12 << 1462246277.57005501 libvdwxc nonlocal (2476.58352s) stopped
T12 >> 1462246277.57013988 redistribute (387.74221s) started
T12 << 1462246279.70945191 redistribute (389.88152s) stopped
T12 << 1462246279.71045589 van der Waals (3665.01956s) stopped
T12 << 1462246280.16198206 XC 3D grid (3792.95417s) stopped
T12 >> 1462246280.16204095 Poisson (962.90989s) started
T12 << 1462246284.51834011 Poisson (967.26619s) stopped
T12 >> 1462246284.51851296 Hartree integrate/restrict (48.74764s) started
T12 << 1462246284.55621696 Hartree integrate/restrict (48.78534s) stopped
T12 >> 1462246284.55634689 Hartree integrate/restrict (48.78543s) started
T12 << 1462246284.88502407 Hartree integrate/restrict (49.11411s) stopped
T12 >> 1462246284.88524508 Atomic (317.20812s) started
T12 >> 1462246284.88676095 XC Correction (0.00441s) started
T12 << 1462246284.88677597 XC Correction (0.00442s) stopped
T12 << 1462246287.24722695 Atomic (319.57010s) stopped
T12 >> 1462246287.24730992 Communicate (936.97290s) started
T12 << 1462246294.35881901 Communicate (944.08441s) stopped
T12 << 1462246294.35884905 Hamiltonian (6076.77733s) stopped
T12 >> 1462246294.35887003 LCAO eigensolver (8839.55738s) started
T12 >> 1462246294.35888290 Potential matrix (135.78798s) started
T12 << 1462246295.31295204 Potential matrix (136.74204s) stopped
T12 >> 1462246295.31304598 DistributedAtomicCorrection (52.86364s) started
T12 << 1462246295.68627810 DistributedAtomicCorrection (53.23688s) stopped
T12 >> 1462246295.68633103 Distribute overlap matrix (952.13754s) started
T12 >> 1462246295.68635511 blocked summation (539.85353s) started
T12 << 1462246299.42766500 blocked summation (543.59484s) stopped
T12 >> 1462246299.43737507 Scalapack redistribute (410.89606s) started
T12 << 1462246302.50204492 Scalapack redistribute (413.96073s) stopped
T12 << 1462246302.50219202 Distribute overlap matrix (958.95340s) stopped
T12 >> 1462246302.50729799 Blacs Orbital Layouts (7456.24557s) started
T12 >> 1462246302.51598501 General diagonalize (7426.19867s) started
T12 << 1462246356.64352894 General diagonalize (7480.32622s) stopped
T12 >> 1462246356.64357400 Redistribute coefs (1.11191s) started
T12 << 1462246356.65104008 Redistribute coefs (1.11938s) stopped
T12 >> 1462246356.65108299 Send coefs to domains (27.68064s) started
T12 << 1462246356.76976895 Send coefs to domains (27.79932s) stopped
T12 << 1462246356.77032709 Blacs Orbital Layouts (7510.50860s) stopped
T12 >> 1462246356.77035594 Calculate projections (241.83245s) started
T12 << 1462246358.47462893 Calculate projections (243.53673s) stopped
T12 << 1462246358.47508693 LCAO eigensolver (8903.67360s) stopped
T12 >> 1462246361.64181709 Density (2179.59066s) started
T12 >> 1462246361.64183211 Pseudo density (1696.09616s) started
T12 >> 1462246361.64418793 Calculate density matrix (1593.82176s) started
T12 << 1462246373.79438090 Calculate density matrix (1605.97195s) stopped
T12 >> 1462246373.79442811 Construct density (99.60074s) started
T12 << 1462246374.53144097 Construct density (100.33775s) stopped
T12 >> 1462246374.54541707 Symmetrize density (0.01126s) started
T12 << 1462246374.54548407 Symmetrize density (0.01133s) stopped
T12 << 1462246374.54757190 Pseudo density (1709.00190s) stopped
T12 >> 1462246374.54762912 Atomic density matrices (423.63276s) started
T12 << 1462246377.71006203 Atomic density matrices (426.79520s) stopped
T12 >> 1462246377.71009302 Multipole moments (1.23116s) started
T12 << 1462246377.71997094 Multipole moments (1.24103s) stopped
T12 >> 1462246377.71999693 Normalize (0.94081s) started
T12 << 1462246377.72612906 Normalize (0.94695s) stopped
T12 >> 1462246377.72620392 Mix (57.67983s) started
T12 << 1462246378.19480300 Mix (58.14842s) stopped
T12 << 1462246378.19483900 Density (2196.14369s) stopped
T12 >> 1462246378.19486499 Hamiltonian (6076.77734s) started
T12 >> 1462246378.19488001 vbar (3.71601s) started
T12 << 1462246378.22024989 vbar (3.74138s) stopped
T12 >> 1462246378.22032905 XC 3D grid (3792.95422s) started
T12 >> 1462246378.70260096 van der Waals (3665.01959s) started
T12 >> 1462246378.81445789 semilocal (772.95888s) started
T12 << 1462246384.58463097 semilocal (778.72905s) stopped
T12 >> 1462246384.66736102 redistribute (389.88159s) started
T12 << 1462246385.70202398 redistribute (390.91625s) stopped
T12 >> 1462246385.70208001 libvdwxc nonlocal (2476.58359s) started
T12 << 1462246404.67343903 libvdwxc nonlocal (2495.55495s) stopped
T12 >> 1462246404.67349792 redistribute (390.91629s) started
T12 << 1462246406.39784789 redistribute (392.64064s) stopped
T12 << 1462246406.39915895 van der Waals (3692.71614s) stopped
T12 << 1462246406.85258007 XC 3D grid (3821.58647s) stopped
T12 >> 1462246406.85262203 Poisson (967.26634s) started
T12 << 1462246411.25672007 Poisson (971.67043s) stopped
T12 >> 1462246411.25679207 Hartree integrate/restrict (49.11414s) started
T12 << 1462246411.30543590 Hartree integrate/restrict (49.16279s) stopped
T12 >> 1462246411.30550408 Hartree integrate/restrict (49.16283s) started
T12 << 1462246411.62384796 Hartree integrate/restrict (49.48117s) stopped
T12 >> 1462246411.62411308 Atomic (319.57013s) started
T12 >> 1462246411.62575006 XC Correction (0.00444s) started
T12 << 1462246411.62577891 XC Correction (0.00446s) stopped
T12 << 1462246413.99430895 Atomic (321.94032s) stopped
T12 >> 1462246413.99439096 Communicate (944.08443s) started
T12 << 1462246421.13813591 Communicate (951.22817s) stopped
T12 << 1462246421.13816595 Hamiltonian (6119.72064s) stopped
T12 >> 1462246421.13818789 LCAO eigensolver (8903.67362s) started
T12 >> 1462246421.13820100 Potential matrix (136.74210s) started
T12 << 1462246422.09617400 Potential matrix (137.70007s) stopped
T12 >> 1462246422.09625912 DistributedAtomicCorrection (53.23691s) started
T12 << 1462246422.46919608 DistributedAtomicCorrection (53.60985s) stopped
T12 >> 1462246422.46924591 Distribute overlap matrix (958.95341s) started
T12 >> 1462246422.46926808 blocked summation (543.59489s) started
T12 << 1462246426.24126506 blocked summation (547.36689s) stopped
T12 >> 1462246426.25082803 Scalapack redistribute (413.96081s) started
T12 << 1462246429.30707693 Scalapack redistribute (417.01706s) stopped
T12 << 1462246429.30718088 Distribute overlap matrix (965.79135s) stopped
T12 >> 1462246429.31164289 Blacs Orbital Layouts (7510.50862s) started
T12 >> 1462246429.32028389 General diagonalize (7480.32625s) started
T12 << 1462246483.01448202 General diagonalize (7534.02045s) stopped
T12 >> 1462246483.01455498 Redistribute coefs (1.11941s) started
T12 << 1462246483.02276707 Redistribute coefs (1.12762s) stopped
T12 >> 1462246483.02283692 Send coefs to domains (27.79936s) started
T12 << 1462246483.12048507 Send coefs to domains (27.89701s) stopped
T12 << 1462246483.12093496 Blacs Orbital Layouts (7564.31791s) stopped
T12 >> 1462246483.12096405 Calculate projections (243.53677s) started
T12 << 1462246484.82453108 Calculate projections (245.24034s) stopped
T12 << 1462246484.82488203 LCAO eigensolver (8967.36031s) stopped
T12 >> 1462246487.95659590 Density (2196.14370s) started
T12 >> 1462246487.95661211 Pseudo density (1709.00194s) started
T12 >> 1462246487.95892596 Calculate density matrix (1605.97199s) started
T12 << 1462246499.83370996 Calculate density matrix (1617.84677s) stopped
T12 >> 1462246499.83375692 Construct density (100.33780s) started
T12 << 1462246500.57041597 Construct density (101.07446s) stopped
T12 >> 1462246500.58446097 Symmetrize density (0.01135s) started
T12 << 1462246500.58452892 Symmetrize density (0.01142s) stopped
T12 << 1462246500.58660412 Pseudo density (1721.63194s) stopped
T12 >> 1462246500.58666110 Atomic density matrices (426.79522s) started
T12 << 1462246503.80640697 Atomic density matrices (430.01496s) stopped
T12 >> 1462246503.80643797 Multipole moments (1.24105s) started
T12 << 1462246503.81644297 Multipole moments (1.25105s) stopped
T12 >> 1462246503.81646991 Normalize (0.94701s) started
T12 << 1462246503.82263207 Normalize (0.95317s) stopped
T12 >> 1462246503.82273889 Mix (58.14846s) started
T12 << 1462246504.30289102 Mix (58.62861s) stopped
T12 << 1462246504.30295491 Density (2212.49006s) stopped
T12 >> 1462246504.30298591 Hamiltonian (6119.72065s) started
T12 >> 1462246504.30300212 vbar (3.74143s) started
T12 << 1462246504.33637691 vbar (3.77480s) stopped
T12 >> 1462246504.33645391 XC 3D grid (3821.58650s) started
T12 >> 1462246504.81838202 van der Waals (3692.71619s) started
T12 >> 1462246504.92776990 semilocal (778.72914s) started
T12 << 1462246510.72285891 semilocal (784.52423s) stopped
T12 >> 1462246510.80194998 redistribute (392.64068s) started
T12 << 1462246511.77094889 redistribute (393.60968s) stopped
T12 >> 1462246511.77099109 libvdwxc nonlocal (2495.55499s) started
T12 << 1462246531.16838503 libvdwxc nonlocal (2514.95239s) stopped
T12 >> 1462246531.16842604 redistribute (393.60971s) started
T12 << 1462246532.85965395 redistribute (395.30094s) stopped
T12 << 1462246532.86075091 van der Waals (3720.75856s) stopped
T12 << 1462246533.31917691 XC 3D grid (3850.56922s) stopped
T12 >> 1462246533.31922793 Poisson (971.67049s) started
T12 << 1462246536.35449910 Poisson (974.70576s) stopped
T12 >> 1462246536.35459805 Hartree integrate/restrict (49.48122s) started
T12 << 1462246536.41488409 Hartree integrate/restrict (49.54151s) stopped
T12 >> 1462246536.41499805 Hartree integrate/restrict (49.54159s) started
T12 << 1462246536.74473810 Hartree integrate/restrict (49.87133s) stopped
T12 >> 1462246536.74502206 Atomic (321.94034s) started
T12 >> 1462246536.74663091 XC Correction (0.00448s) started
T12 << 1462246536.74664688 XC Correction (0.00450s) stopped
T12 << 1462246539.09967589 Atomic (324.29500s) stopped
T12 >> 1462246539.09975791 Communicate (951.22819s) started
T12 << 1462246546.29140592 Communicate (958.41984s) stopped
T12 << 1462246546.29144096 Hamiltonian (6161.70910s) stopped
T12 >> 1462246546.29146600 LCAO eigensolver (8967.36033s) started
T12 >> 1462246546.29147911 Potential matrix (137.70012s) started
T12 << 1462246547.25142002 Potential matrix (138.66006s) stopped
T12 >> 1462246547.25150299 DistributedAtomicCorrection (53.60989s) started
T12 << 1462246547.62831807 DistributedAtomicCorrection (53.98670s) stopped
T12 >> 1462246547.62836790 Distribute overlap matrix (965.79136s) started
T12 >> 1462246547.62839007 blocked summation (547.36692s) started
T12 << 1462246551.41596889 blocked summation (551.15450s) stopped
T12 >> 1462246551.42548299 Scalapack redistribute (417.01713s) started
T12 << 1462246554.42050600 Scalapack redistribute (420.01215s) stopped
T12 << 1462246554.42060995 Distribute overlap matrix (972.58360s) stopped
T12 >> 1462246554.42535591 Blacs Orbital Layouts (7564.31793s) started
T12 >> 1462246554.43439698 General diagonalize (7534.02051s) started
T12 << 1462246607.91084504 General diagonalize (7587.49696s) stopped
T12 >> 1462246607.91088891 Redistribute coefs (1.12768s) started
T12 << 1462246607.91799903 Redistribute coefs (1.13479s) stopped
T12 >> 1462246607.91806507 Send coefs to domains (27.89704s) started
T12 << 1462246608.16997790 Send coefs to domains (28.14895s) stopped
T12 << 1462246608.17054200 Blacs Orbital Layouts (7618.06312s) stopped
T12 >> 1462246608.17056894 Calculate projections (245.24039s) started
T12 << 1462246609.87449408 Calculate projections (246.94431s) stopped
T12 << 1462246609.87484598 LCAO eigensolver (9030.94371s) stopped
T12 << 1462246613.03956389 SCF-cycle (17861.97008s) stopped
T12 >> 1462246615.16682601 Force calculation (515.22219s) started
T12 >> 1462246615.16688609 LCAO forces (509.41745s) started
T12 >> 1462246615.16723394 Initial (0.00016s) started
T12 << 1462246615.16724491 Initial (0.00017s) stopped
T12 >> 1462246615.17319989 Get density matrix (270.29922s) started
T12 << 1462246624.28952599 Get density matrix (279.41555s) stopped
T12 >> 1462246624.28956795 Potential (41.43631s) started
T12 << 1462246630.20027995 Potential (47.34702s) stopped
T12 >> 1462246630.20033503 Get density matrix (279.41558s) started
T12 << 1462246659.70791602 Get density matrix (308.92316s) stopped
T12 >> 1462246659.70797491 Prepare TCI loop (14.51080s) started
T12 >> 1462246659.70843410 Get neighbors (13.15703s) started
T12 << 1462246661.53198195 Get neighbors (14.98057s) stopped
T12 >> 1462246661.53250003 broadcast dH (1.34701s) started
T12 << 1462246661.79350901 broadcast dH (1.60802s) stopped
T12 << 1462246661.79355097 Prepare TCI loop (16.59638s) stopped
T12 >> 1462246661.79357004 Not so complicated loop (0.80697s) started
T12 << 1462246661.90625191 Not so complicated loop (0.91965s) stopped
T12 >> 1462246662.01691508 Complicated loop (118.16715s) started
T12 << 1462246679.09533191 Complicated loop (135.24557s) stopped
T12 >> 1462246679.09635401 Wait for sum (63.38305s) started
T12 << 1462246688.03106308 Wait for sum (72.31776s) stopped
T12 << 1462246688.03110003 LCAO forces (582.28167s) stopped
T12 << 1462246688.86374211 Force calculation (588.91910s) stopped
T12 >> 1462246688.88134909 Initialization (899.36941s) started
T12 << 1462246688.88150597 Initialization (899.36957s) stopped
T12 >> 1462246688.88172102 Initialization (899.36959s) started
T12 << 1462246688.88185191 Initialization (899.36972s) stopped
T12 >> 1462246688.88198090 Initialization (899.36973s) started
T12 << 1462246688.88210297 Initialization (899.36985s) stopped
T12 >> 1462246709.15651608 Initialization (899.36987s) started
T12 >> 1462246709.29181695 Basic WFS set positions (0.64008s) started
T12 >> 1462246709.29184103 Redistribute (0.00393s) started
T12 << 1462246709.29196906 Redistribute (0.00406s) stopped
T12 << 1462246709.37349701 Basic WFS set positions (0.72176s) stopped
T12 >> 1462246709.37352204 Basis functions set positions (12.75672s) started
T12 << 1462246711.05858397 Basis functions set positions (14.44178s) stopped
T12 >> 1462246711.05928302 TCI: Calculate S, T, P (111.52324s) started
T12 << 1462246725.28432298 TCI: Calculate S, T, P (125.74828s) stopped
T12 >> 1462246725.28437805 blocked summation (130.29356s) started
T12 << 1462246742.78161693 blocked summation (147.79080s) stopped
T12 >> 1462246742.79182196 Scalapack redistribute (49.52867s) started
T12 << 1462246749.11097503 Scalapack redistribute (55.84782s) stopped
T12 >> 1462246749.11201692 blocked summation (147.79088s) started
T12 << 1462246750.12937403 blocked summation (148.80824s) stopped
T12 >> 1462246750.14016700 Scalapack redistribute (55.84789s) started
T12 << 1462246750.42364311 Scalapack redistribute (56.13136s) stopped
T12 >> 1462246750.42532802 Redistribute (0.00660s) started
T12 << 1462246750.42579794 Redistribute (0.00707s) stopped
T12 >> 1462246752.07434607 Redistribute (0.00709s) started
T12 << 1462246752.07475591 Redistribute (0.00750s) stopped
T12 >> 1462246752.09025192 LCAO WFS Initialize (575.74310s) started
T12 >> 1462246752.09028602 Density initialize from wavefunctions (99.52019s) started
T12 >> 1462246752.09762502 Calculate density matrix (69.69137s) started
T12 << 1462246761.86255789 Calculate density matrix (79.45630s) stopped
T12 >> 1462246761.86260509 Construct density (5.18631s) started
T12 << 1462246762.59865904 Construct density (5.92236s) stopped
T12 >> 1462246762.61312509 Symmetrize density (0.00056s) started
T12 << 1462246762.61319709 Symmetrize density (0.00063s) stopped
T12 << 1462246766.19729304 Density initialize from wavefunctions (113.62720s) stopped
T12 >> 1462246766.19755006 Hamiltonian (475.30769s) started
T12 >> 1462246766.19756699 vbar (0.26069s) started
T12 << 1462246766.21935797 vbar (0.28249s) stopped
T12 >> 1462246766.21948910 XC 3D grid (228.48258s) started
T12 >> 1462246766.69248891 van der Waals (220.98241s) started
T12 >> 1462246766.80062795 semilocal (46.45324s) started
T12 << 1462246772.51592398 semilocal (52.16854s) stopped
T12 >> 1462246772.60701203 redistribute (24.96166s) started
T12 << 1462246773.66289806 redistribute (26.01755s) stopped
T12 >> 1462246773.66297412 libvdwxc nonlocal (148.02675s) started
T12 << 1462246792.00600696 libvdwxc nonlocal (166.36978s) stopped
T12 >> 1462246792.00607395 redistribute (26.01760s) started
T12 << 1462246794.80318403 redistribute (28.81471s) stopped
T12 << 1462246794.80427790 van der Waals (249.09420s) stopped
T12 << 1462246795.26114702 XC 3D grid (257.52424s) stopped
T12 >> 1462246795.26120400 Poisson (149.64384s) started
T12 << 1462246813.88868594 Poisson (168.27132s) stopped
T12 >> 1462246813.88880897 Hartree integrate/restrict (2.94223s) started
T12 << 1462246813.93834496 Hartree integrate/restrict (2.99176s) stopped
T12 >> 1462246813.93845391 Hartree integrate/restrict (2.99184s) started
T12 << 1462246814.27547002 Hartree integrate/restrict (3.32886s) stopped
T12 >> 1462246814.27566004 Atomic (18.78005s) started
T12 >> 1462246814.27748990 XC Correction (0.00033s) started
T12 << 1462246814.27752709 XC Correction (0.00037s) stopped
T12 << 1462246816.60970902 Atomic (21.11410s) stopped
T12 >> 1462246816.60988212 Communicate (75.16908s) started
T12 << 1462246826.38257003 Communicate (84.94177s) stopped
T12 << 1462246826.38260388 Hamiltonian (535.49274s) stopped
T12 << 1462246826.38261795 LCAO WFS Initialize (650.03547s) stopped
T12 << 1462246826.39455700 Initialization (1016.60791s) stopped
T12 >> 1462246826.41993904 SCF-cycle (17861.97010s) started
T12 >> 1462246826.41997290 LCAO eigensolver (9030.94373s) started
T12 >> 1462246826.41998601 Potential matrix (138.66011s) started
T12 << 1462246827.36628509 Potential matrix (139.60641s) stopped
T12 >> 1462246827.36636996 DistributedAtomicCorrection (53.98674s) started
T12 << 1462246827.73064208 DistributedAtomicCorrection (54.35101s) stopped
T12 >> 1462246827.73068810 Distribute overlap matrix (972.58361s) started
T12 >> 1462246827.73071504 blocked summation (551.15453s) started
T12 << 1462246831.72180510 blocked summation (555.14562s) stopped
T12 >> 1462246831.73092508 Scalapack redistribute (420.01221s) started
T12 << 1462246834.78871489 Scalapack redistribute (423.07000s) stopped
T12 << 1462246834.78881097 Distribute overlap matrix (979.64174s) stopped
T12 >> 1462246834.79295707 Blacs Orbital Layouts (7618.06314s) started
T12 >> 1462246834.80122089 General diagonalize (7587.49700s) started
T12 << 1462246893.16153693 General diagonalize (7645.85731s) stopped
T12 >> 1462246893.16158295 Redistribute coefs (1.13484s) started
T12 << 1462246893.16908002 Redistribute coefs (1.14234s) stopped
T12 >> 1462246893.16916108 Send coefs to domains (28.14899s) started
T12 << 1462246893.35868812 Send coefs to domains (28.33851s) stopped
T12 << 1462246893.35891795 Blacs Orbital Layouts (7676.62910s) stopped
T12 >> 1462246893.35894608 Calculate projections (246.94436s) started
T12 << 1462246895.06137800 Calculate projections (248.64680s) stopped
T12 << 1462246895.06157708 LCAO eigensolver (9099.58533s) stopped
T12 >> 1462246898.21018004 Density (2212.49007s) started
T12 >> 1462246898.21019506 Pseudo density (1721.63198s) started
T12 >> 1462246898.21244788 Calculate density matrix (1617.84680s) started
T12 << 1462246910.13193297 Calculate density matrix (1629.76629s) stopped
T12 >> 1462246910.13198090 Construct density (101.07451s) started
T12 << 1462246910.87054491 Construct density (101.81308s) stopped
T12 >> 1462246910.88451099 Symmetrize density (0.01143s) started
T12 << 1462246910.88457799 Symmetrize density (0.01150s) stopped
T12 << 1462246910.88654804 Pseudo density (1734.30834s) stopped
T12 >> 1462246910.88660789 Atomic density matrices (430.01499s) started
T12 << 1462246914.11998892 Atomic density matrices (433.24837s) stopped
T12 >> 1462246914.12001991 Multipole moments (1.25107s) started
T12 << 1462246914.12989092 Multipole moments (1.26094s) stopped
T12 >> 1462246914.12991405 Normalize (0.95326s) started
T12 << 1462246914.13921690 Normalize (0.96256s) stopped
T12 >> 1462246914.13928795 Mix (58.62868s) started
T12 << 1462246914.46769691 Mix (58.95709s) stopped
T12 << 1462246914.46774602 Density (2228.74764s) stopped
T12 >> 1462246914.46777010 Hamiltonian (6161.70912s) started
T12 >> 1462246914.46778989 vbar (3.77484s) started
T12 << 1462246914.48845410 vbar (3.79550s) stopped
T12 >> 1462246914.48854995 XC 3D grid (3850.56926s) started
T12 >> 1462246915.07131004 van der Waals (3720.75860s) started
T12 >> 1462246915.17977810 semilocal (784.52434s) started
T12 << 1462246921.01018596 semilocal (790.35475s) stopped
T12 >> 1462246921.09056592 redistribute (395.30097s) started
T12 << 1462246922.05611706 redistribute (396.26652s) stopped
T12 >> 1462246922.05615807 libvdwxc nonlocal (2514.95242s) started
T12 << 1462246940.48596597 libvdwxc nonlocal (2533.38222s) stopped
T12 >> 1462246940.48602891 redistribute (396.26656s) started
T12 << 1462246942.18616199 redistribute (397.96669s) stopped
T12 << 1462246942.18751192 van der Waals (3747.87480s) stopped
T12 << 1462246942.63828707 XC 3D grid (3878.71900s) stopped
T12 >> 1462246942.63832903 Poisson (974.70584s) started
T12 << 1462246955.38641906 Poisson (987.45393s) stopped
T12 >> 1462246955.38648796 Hartree integrate/restrict (49.87137s) started
T12 << 1462246955.43037295 Hartree integrate/restrict (49.91526s) stopped
T12 >> 1462246955.43041492 Hartree integrate/restrict (49.91528s) started
T12 << 1462246955.74310207 Hartree integrate/restrict (50.22797s) stopped
T12 >> 1462246955.74329996 Atomic (324.29502s) started
T12 >> 1462246955.74507499 XC Correction (0.00451s) started
T12 << 1462246955.74509001 XC Correction (0.00452s) stopped
T12 << 1462246958.08483791 Atomic (326.63656s) stopped
T12 >> 1462246958.08501101 Communicate (958.41987s) started
T12 << 1462246967.55287695 Communicate (967.88773s) stopped
T12 << 1462246967.55290890 Hamiltonian (6214.79425s) stopped
T12 >> 1462246967.55293298 LCAO eigensolver (9099.58535s) started
T12 >> 1462246967.55294490 Potential matrix (139.60646s) started
T12 << 1462246968.50004697 Potential matrix (140.55356s) stopped
T12 >> 1462246968.50011802 DistributedAtomicCorrection (54.35105s) started
T12 << 1462246968.88851309 DistributedAtomicCorrection (54.73945s) stopped
T12 >> 1462246968.88855910 Distribute overlap matrix (979.64175s) started
T12 >> 1462246968.88858604 blocked summation (555.14567s) started
T12 << 1462246972.65857005 blocked summation (558.91565s) stopped
T12 >> 1462246972.66829491 Scalapack redistribute (423.07005s) started
T12 << 1462246975.67775393 Scalapack redistribute (426.07951s) stopped
T12 << 1462246975.67784500 Distribute overlap matrix (986.43104s) stopped
T12 >> 1462246975.68211603 Blacs Orbital Layouts (7676.62912s) started
T12 >> 1462246975.69015694 General diagonalize (7645.85735s) started
T12 << 1462247029.52000189 General diagonalize (7699.68719s) stopped
T12 >> 1462247029.52004910 Redistribute coefs (1.14240s) started
T12 << 1462247029.52736306 Redistribute coefs (1.14972s) stopped
T12 >> 1462247029.52744508 Send coefs to domains (28.33855s) started
T12 << 1462247029.65703392 Send coefs to domains (28.46813s) stopped
T12 << 1462247029.65720606 Blacs Orbital Layouts (7730.60421s) stopped
T12 >> 1462247029.65723395 Calculate projections (248.64685s) started
T12 << 1462247031.35785794 Calculate projections (250.34747s) stopped
T12 << 1462247031.35821795 LCAO eigensolver (9163.39063s) stopped
T12 >> 1462247034.51136088 Density (2228.74765s) started
T12 >> 1462247034.51137590 Pseudo density (1734.30838s) started
T12 >> 1462247034.51392198 Calculate density matrix (1629.76632s) started
T12 << 1462247046.60739493 Calculate density matrix (1641.85979s) stopped
T12 >> 1462247046.60744095 Construct density (101.81312s) started
T12 << 1462247047.34630394 Construct density (102.55199s) stopped
T12 >> 1462247047.36021709 Symmetrize density (0.01151s) started
T12 << 1462247047.36028409 Symmetrize density (0.01158s) stopped
T12 << 1462247047.36224103 Pseudo density (1747.15925s) stopped
T12 >> 1462247047.36229897 Atomic density matrices (433.24839s) started
T12 << 1462247050.45991707 Atomic density matrices (436.34601s) stopped
T12 >> 1462247050.45994902 Multipole moments (1.26096s) started
T12 << 1462247050.46940398 Multipole moments (1.27041s) stopped
T12 >> 1462247050.46942711 Normalize (0.96262s) started
T12 << 1462247050.47560501 Normalize (0.96880s) stopped
T12 >> 1462247050.47570395 Mix (58.95713s) started
T12 << 1462247050.85379004 Mix (59.33522s) stopped
T12 << 1462247050.85383511 Density (2245.09013s) stopped
T12 >> 1462247050.85386109 Hamiltonian (6214.79427s) started
T12 >> 1462247050.85387611 vbar (3.79556s) started
T12 << 1462247050.87749600 vbar (3.81918s) stopped
T12 >> 1462247050.87764096 XC 3D grid (3878.71903s) started
T12 >> 1462247051.37963390 van der Waals (3747.87483s) started
T12 >> 1462247051.48699498 semilocal (790.35484s) started
T12 << 1462247057.20538807 semilocal (796.07323s) stopped
T12 >> 1462247057.28755593 redistribute (397.96672s) started
T12 << 1462247058.37016511 redistribute (399.04933s) stopped
T12 >> 1462247058.37023091 libvdwxc nonlocal (2533.38227s) started
T12 << 1462247076.68048406 libvdwxc nonlocal (2551.69252s) stopped
T12 >> 1462247076.68057203 redistribute (399.04938s) started
T12 << 1462247078.40225101 redistribute (400.77106s) stopped
T12 << 1462247078.40354490 van der Waals (3774.89874s) stopped
T12 << 1462247078.85467792 XC 3D grid (3906.69607s) stopped
T12 >> 1462247078.85474110 Poisson (987.45398s) started
T12 << 1462247090.21707702 Poisson (998.81631s) stopped
T12 >> 1462247090.21715093 Hartree integrate/restrict (50.22800s) started
T12 << 1462247090.26130295 Hartree integrate/restrict (50.27215s) stopped
T12 >> 1462247090.26134896 Hartree integrate/restrict (50.27218s) started
T12 << 1462247090.59328389 Hartree integrate/restrict (50.60412s) stopped
T12 >> 1462247090.59348106 Atomic (326.63658s) started
T12 >> 1462247090.59523511 XC Correction (0.00454s) started
T12 << 1462247090.59526396 XC Correction (0.00456s) stopped
T12 << 1462247092.94357991 Atomic (328.98668s) stopped
T12 >> 1462247092.94373894 Communicate (967.88775s) started
T12 << 1462247100.49364901 Communicate (975.43766s) stopped
T12 << 1462247100.49368405 Hamiltonian (6264.43409s) stopped
T12 >> 1462247100.49370909 LCAO eigensolver (9163.39065s) started
T12 >> 1462247100.49372101 Potential matrix (140.55361s) started
T12 << 1462247101.44929695 Potential matrix (141.50918s) stopped
T12 >> 1462247101.44936800 DistributedAtomicCorrection (54.73949s) started
T12 << 1462247101.82007194 DistributedAtomicCorrection (55.11019s) stopped
T12 >> 1462247101.82011890 Distribute overlap matrix (986.43105s) started
T12 >> 1462247101.82014298 blocked summation (558.91570s) started
T12 << 1462247105.71361208 blocked summation (562.80917s) stopped
T12 >> 1462247105.72310305 Scalapack redistribute (426.07956s) started
T12 << 1462247108.63704991 Scalapack redistribute (428.99351s) stopped
T12 << 1462247108.63714194 Distribute overlap matrix (993.24807s) stopped
T12 >> 1462247108.64204001 Blacs Orbital Layouts (7730.60422s) started
T12 >> 1462247108.65036511 General diagonalize (7699.68723s) started
T12 << 1462247162.68621111 General diagonalize (7753.72308s) stopped
T12 >> 1462247162.68628097 Redistribute coefs (1.14978s) started
T12 << 1462247162.69352889 Redistribute coefs (1.15703s) stopped
T12 >> 1462247162.69361305 Send coefs to domains (28.46817s) started
T12 << 1462247162.78518200 Send coefs to domains (28.55974s) stopped
T12 << 1462247162.78539395 Blacs Orbital Layouts (7784.74758s) stopped
T12 >> 1462247162.78542304 Calculate projections (250.34752s) started
T12 << 1462247164.48559904 Calculate projections (252.04770s) stopped
T12 << 1462247164.48596597 LCAO eigensolver (9227.38291s) stopped
T12 >> 1462247167.61326599 Density (2245.09014s) started
T12 >> 1462247167.61328101 Pseudo density (1747.15930s) started
T12 >> 1462247167.61538506 Calculate density matrix (1641.85983s) started
T12 << 1462247179.60570097 Calculate density matrix (1653.85015s) stopped
T12 >> 1462247179.60574794 Construct density (102.55204s) started
T12 << 1462247180.34394097 Construct density (103.29023s) stopped
T12 >> 1462247180.35858011 Symmetrize density (0.01160s) started
T12 << 1462247180.35863996 Symmetrize density (0.01166s) stopped
T12 << 1462247180.36064100 Pseudo density (1759.90666s) stopped
T12 >> 1462247180.36069989 Atomic density matrices (436.34604s) started
T12 << 1462247183.55119896 Atomic density matrices (439.53653s) stopped
T12 >> 1462247183.55123210 Multipole moments (1.27043s) started
T12 << 1462247183.56105900 Multipole moments (1.28026s) stopped
T12 >> 1462247183.56108403 Normalize (0.96888s) started
T12 << 1462247183.56717110 Normalize (0.97497s) stopped
T12 >> 1462247183.56727505 Mix (59.33527s) started
T12 << 1462247183.92496204 Mix (59.69295s) stopped
T12 << 1462247183.92501497 Density (2261.40189s) stopped
T12 >> 1462247183.92504096 Hamiltonian (6264.43410s) started
T12 >> 1462247183.92505598 vbar (3.81927s) started
T12 << 1462247183.94870591 vbar (3.84292s) stopped
T12 >> 1462247183.94881296 XC 3D grid (3906.69612s) started
T12 >> 1462247184.51659298 van der Waals (3774.89876s) started
T12 >> 1462247184.62537289 semilocal (796.07334s) started
T12 << 1462247190.42892790 semilocal (801.87690s) stopped
T12 >> 1462247190.51026201 redistribute (400.77112s) started
T12 << 1462247191.46428108 redistribute (401.72514s) stopped
T12 >> 1462247191.46432495 libvdwxc nonlocal (2551.69260s) started
T12 << 1462247210.12101889 libvdwxc nonlocal (2570.34929s) stopped
T12 >> 1462247210.12108302 redistribute (401.72517s) started
T12 << 1462247211.84401894 redistribute (403.44811s) stopped
T12 << 1462247211.84502006 van der Waals (3802.22719s) stopped
T12 << 1462247212.29962611 XC 3D grid (3935.04693s) stopped
T12 >> 1462247212.29969001 Poisson (998.81636s) started
T12 << 1462247225.12582207 Poisson (1011.64250s) stopped
T12 >> 1462247225.12593007 Hartree integrate/restrict (50.60415s) started
T12 << 1462247225.17667699 Hartree integrate/restrict (50.65490s) stopped
T12 >> 1462247225.17675304 Hartree integrate/restrict (50.65495s) started
T12 << 1462247225.48651409 Hartree integrate/restrict (50.96471s) stopped
T12 >> 1462247225.48672509 Atomic (328.98670s) started
T12 >> 1462247225.48831511 XC Correction (0.00458s) started
T12 << 1462247225.48832893 XC Correction (0.00459s) stopped
T12 << 1462247227.86405301 Atomic (331.36403s) stopped
T12 >> 1462247227.86420012 Communicate (975.43769s) started
T12 << 1462247235.09941292 Communicate (982.67290s) stopped
T12 << 1462247235.09944701 Hamiltonian (6315.60851s) stopped
T12 >> 1462247235.09947109 LCAO eigensolver (9227.38293s) started
T12 >> 1462247235.09948397 Potential matrix (141.50922s) started
T12 << 1462247236.05541897 Potential matrix (142.46516s) stopped
T12 >> 1462247236.05548811 DistributedAtomicCorrection (55.11023s) started
T12 << 1462247236.42594099 DistributedAtomicCorrection (55.48068s) stopped
T12 >> 1462247236.42598891 Distribute overlap matrix (993.24808s) started
T12 >> 1462247236.42601204 blocked summation (562.80922s) started
T12 << 1462247240.24204493 blocked summation (566.62526s) stopped
T12 >> 1462247240.25121498 Scalapack redistribute (428.99356s) started
T12 << 1462247243.24739408 Scalapack redistribute (431.98974s) stopped
T12 << 1462247243.24746490 Distribute overlap matrix (1000.06956s) stopped
T12 >> 1462247243.25208712 Blacs Orbital Layouts (7784.74760s) started
T12 >> 1462247243.26012993 General diagonalize (7753.72314s) started
T12 << 1462247297.06434107 General diagonalize (7807.52735s) stopped
T12 >> 1462247297.06438494 Redistribute coefs (1.15710s) started
T12 << 1462247297.07177496 Redistribute coefs (1.16449s) stopped
T12 >> 1462247297.07185102 Send coefs to domains (28.55977s) started
T12 << 1462247297.34753990 Send coefs to domains (28.83546s) stopped
T12 << 1462247297.34778094 Blacs Orbital Layouts (7838.84329s) stopped
T12 >> 1462247297.34781289 Calculate projections (252.04775s) started
T12 << 1462247299.04858398 Calculate projections (253.74852s) stopped
T12 << 1462247299.04876709 LCAO eigensolver (9291.33222s) stopped
T12 >> 1462247302.21128392 Density (2261.40190s) started
T12 >> 1462247302.21129894 Pseudo density (1759.90670s) started
T12 >> 1462247302.21365499 Calculate density matrix (1653.85018s) started
T12 << 1462247314.13221312 Calculate density matrix (1665.76874s) stopped
T12 >> 1462247314.13226008 Construct density (103.29028s) started
T12 << 1462247314.87101889 Construct density (104.02904s) stopped
T12 >> 1462247314.88503909 Symmetrize density (0.01167s) started
T12 << 1462247314.88509989 Symmetrize density (0.01173s) stopped
T12 << 1462247314.88714790 Pseudo density (1772.58255s) stopped
T12 >> 1462247314.88720703 Atomic density matrices (439.53656s) started
T12 << 1462247318.14152288 Atomic density matrices (442.79088s) stopped
T12 >> 1462247318.14155412 Multipole moments (1.28027s) started
T12 << 1462247318.15138102 Multipole moments (1.29010s) stopped
T12 >> 1462247318.15140891 Normalize (0.97505s) started
T12 << 1462247318.15740705 Normalize (0.98105s) stopped
T12 >> 1462247318.15753603 Mix (59.69301s) started
T12 << 1462247318.54590893 Mix (60.08138s) stopped
T12 << 1462247318.54598188 Density (2277.73660s) stopped
T12 >> 1462247318.54601693 Hamiltonian (6315.60852s) started
T12 >> 1462247318.54607511 vbar (3.84298s) started
T12 << 1462247318.56683803 vbar (3.86375s) stopped
T12 >> 1462247318.56695104 XC 3D grid (3935.04699s) started
T12 >> 1462247319.08206511 van der Waals (3802.22722s) started
T12 >> 1462247319.19003105 semilocal (801.87699s) started
T12 << 1462247324.98660493 semilocal (807.67356s) stopped
T12 >> 1462247325.07088900 redistribute (403.44814s) started
T12 << 1462247326.05103111 redistribute (404.42828s) stopped
T12 >> 1462247326.05107498 libvdwxc nonlocal (2570.34934s) started
T12 << 1462247345.15080404 libvdwxc nonlocal (2589.44907s) stopped
T12 >> 1462247345.15085006 redistribute (404.42832s) started
T12 << 1462247346.89350891 redistribute (406.17097s) stopped
T12 << 1462247346.89454699 van der Waals (3830.03970s) stopped
T12 << 1462247347.35301709 XC 3D grid (3963.83305s) stopped
T12 >> 1462247347.35308003 Poisson (1011.64258s) started
T12 << 1462247356.07940102 Poisson (1020.36890s) stopped
T12 >> 1462247356.07949090 Hartree integrate/restrict (50.96475s) started
T12 << 1462247356.13487196 Hartree integrate/restrict (51.02014s) stopped
T12 >> 1462247356.13492608 Hartree integrate/restrict (51.02017s) started
T12 << 1462247356.44990492 Hartree integrate/restrict (51.33515s) stopped
T12 >> 1462247356.45010710 Atomic (331.36405s) started
T12 >> 1462247356.45207405 XC Correction (0.00460s) started
T12 << 1462247356.45211911 XC Correction (0.00465s) stopped
T12 << 1462247358.81960702 Atomic (333.73355s) stopped
T12 >> 1462247358.81975007 Communicate (982.67292s) started
T12 << 1462247366.09007812 Communicate (989.94325s) stopped
T12 << 1462247366.09011412 Hamiltonian (6363.15262s) stopped
T12 >> 1462247366.09013891 LCAO eigensolver (9291.33225s) started
T12 >> 1462247366.09015203 Potential matrix (142.46520s) started
T12 << 1462247367.05629611 Potential matrix (143.43134s) stopped
T12 >> 1462247367.05637908 DistributedAtomicCorrection (55.48072s) started
T12 << 1462247367.43282294 DistributedAtomicCorrection (55.85717s) stopped
T12 >> 1462247367.43286991 Distribute overlap matrix (1000.06957s) started
T12 >> 1462247367.43289304 blocked summation (566.62531s) started
T12 << 1462247371.31718612 blocked summation (570.50960s) stopped
T12 >> 1462247371.32636690 Scalapack redistribute (431.98977s) started
T12 << 1462247374.24463105 Scalapack redistribute (434.90804s) stopped
T12 << 1462247374.24473500 Distribute overlap matrix (1006.88144s) stopped
T12 >> 1462247374.24857402 Blacs Orbital Layouts (7838.84331s) started
T12 >> 1462247374.25637889 General diagonalize (7807.52738s) started
T12 << 1462247425.12398696 General diagonalize (7858.39499s) stopped
T12 >> 1462247425.12403989 Redistribute coefs (1.16455s) started
T12 << 1462247425.13260007 Redistribute coefs (1.17311s) stopped
T12 >> 1462247425.13266110 Send coefs to domains (28.83549s) started
T12 << 1462247425.23868203 Send coefs to domains (28.94151s) stopped
T12 << 1462247425.23898101 Blacs Orbital Layouts (7889.83372s) stopped
T12 >> 1462247425.23901200 Calculate projections (253.74857s) started
T12 << 1462247426.95500302 Calculate projections (255.46456s) stopped
T12 << 1462247426.95525002 LCAO eigensolver (9352.19736s) stopped
T12 >> 1462247430.10387111 Density (2277.73661s) started
T12 >> 1462247430.10388589 Pseudo density (1772.58260s) started
T12 >> 1462247430.10665488 Calculate density matrix (1665.76877s) started
T12 << 1462247442.03354907 Calculate density matrix (1677.69567s) stopped
T12 >> 1462247442.03360391 Construct density (104.02909s) started
T12 << 1462247442.77097607 Construct density (104.76646s) stopped
T12 >> 1462247442.78721595 Symmetrize density (0.01175s) started
T12 << 1462247442.78729606 Symmetrize density (0.01183s) stopped
T12 << 1462247442.78974605 Pseudo density (1785.26846s) stopped
T12 >> 1462247442.78981805 Atomic density matrices (442.79090s) started
T12 << 1462247445.96998501 Atomic density matrices (445.97107s) stopped
T12 >> 1462247445.97002101 Multipole moments (1.29012s) started
T12 << 1462247445.97990990 Multipole moments (1.30001s) stopped
T12 >> 1462247445.97993994 Normalize (0.98116s) started
T12 << 1462247445.98682690 Normalize (0.98805s) stopped
T12 >> 1462247445.98687291 Mix (60.08145s) started
T12 << 1462247446.40902996 Mix (60.50361s) stopped
T12 << 1462247446.40908098 Density (2294.04182s) stopped
T12 >> 1462247446.40910697 Hamiltonian (6363.15263s) started
T12 >> 1462247446.40912104 vbar (3.86382s) started
T12 << 1462247446.43605900 vbar (3.89075s) stopped
T12 >> 1462247446.43623996 XC 3D grid (3963.83311s) started
T12 >> 1462247446.91000891 van der Waals (3830.03973s) started
T12 >> 1462247447.02425909 semilocal (807.67364s) started
T12 << 1462247452.77070189 semilocal (813.42008s) stopped
T12 >> 1462247452.84363389 redistribute (406.17101s) started
T12 << 1462247453.88930106 redistribute (407.21668s) stopped
T12 >> 1462247453.88935089 libvdwxc nonlocal (2589.44910s) started
T12 << 1462247472.51655197 libvdwxc nonlocal (2608.07630s) stopped
T12 >> 1462247472.51663399 redistribute (407.21672s) started
T12 << 1462247474.51035500 redistribute (409.21044s) stopped
T12 << 1462247474.51119399 van der Waals (3857.64091s) stopped
T12 << 1462247474.96880794 XC 3D grid (3992.36568s) stopped
T12 >> 1462247474.96885705 Poisson (1020.36897s) started
T12 << 1462247483.65954590 Poisson (1029.05966s) stopped
T12 >> 1462247483.65973401 Hartree integrate/restrict (51.33518s) started
T12 << 1462247483.69740200 Hartree integrate/restrict (51.37285s) stopped
T12 >> 1462247483.69752502 Hartree integrate/restrict (51.37293s) started
T12 << 1462247484.05468893 Hartree integrate/restrict (51.73009s) stopped
T12 >> 1462247484.05501294 Atomic (333.73357s) started
T12 >> 1462247484.05757093 XC Correction (0.00466s) started
T12 << 1462247484.05762291 XC Correction (0.00472s) stopped
T12 << 1462247486.41799307 Atomic (336.09655s) stopped
T12 >> 1462247486.41813111 Communicate (989.94327s) started
T12 << 1462247493.71175504 Communicate (997.23690s) stopped
T12 << 1462247493.71178603 Hamiltonian (6410.45531s) stopped
T12 >> 1462247493.71181202 LCAO eigensolver (9352.19738s) started
T12 >> 1462247493.71182489 Potential matrix (143.43139s) started
T12 << 1462247494.66251493 Potential matrix (144.38208s) stopped
T12 >> 1462247494.66259789 DistributedAtomicCorrection (55.85720s) started
T12 << 1462247495.03359604 DistributedAtomicCorrection (56.22820s) stopped
T12 >> 1462247495.03364897 Distribute overlap matrix (1006.88145s) started
T12 >> 1462247495.03367305 blocked summation (570.50963s) started
T12 << 1462247498.96645093 blocked summation (574.44241s) stopped
T12 >> 1462247498.97536802 Scalapack redistribute (434.90810s) started
T12 << 1462247501.79683590 Scalapack redistribute (437.72957s) stopped
T12 << 1462247501.79692006 Distribute overlap matrix (1013.64472s) stopped
T12 >> 1462247501.80174088 Blacs Orbital Layouts (7889.83374s) started
T12 >> 1462247501.81024194 General diagonalize (7858.39503s) started
T12 << 1462247552.49668908 General diagonalize (7909.08148s) stopped
T12 >> 1462247552.49674797 Redistribute coefs (1.17316s) started
T12 << 1462247552.50538802 Redistribute coefs (1.18180s) stopped
T12 >> 1462247552.50543594 Send coefs to domains (28.94154s) started
T12 << 1462247552.60743499 Send coefs to domains (29.04354s) stopped
T12 << 1462247552.60763311 Blacs Orbital Layouts (7940.63963s) stopped
T12 >> 1462247552.60766292 Calculate projections (255.46462s) started
T12 << 1462247554.32178712 Calculate projections (257.17874s) stopped
T12 << 1462247554.32199311 LCAO eigensolver (9412.80756s) stopped
T12 >> 1462247557.47008395 Density (2294.04184s) started
T12 >> 1462247557.47009897 Pseudo density (1785.26851s) started
T12 >> 1462247557.47267509 Calculate density matrix (1677.69571s) started
T12 << 1462247569.39703989 Calculate density matrix (1689.62007s) stopped
T12 >> 1462247569.39709496 Construct density (104.76652s) started
T12 << 1462247570.13380098 Construct density (105.50323s) stopped
T12 >> 1462247570.14978600 Symmetrize density (0.01185s) started
T12 << 1462247570.14985991 Symmetrize density (0.01193s) stopped
T12 << 1462247570.15230203 Pseudo density (1797.95072s) stopped
T12 >> 1462247570.15236807 Atomic density matrices (445.97110s) started
T12 << 1462247573.37101698 Atomic density matrices (449.18974s) stopped
T12 >> 1462247573.37105298 Multipole moments (1.30002s) started
T12 << 1462247573.38089490 Multipole moments (1.30986s) stopped
T12 >> 1462247573.38092399 Normalize (0.98808s) started
T12 << 1462247573.38741899 Normalize (0.99458s) stopped
T12 >> 1462247573.38746309 Mix (60.50366s) started
T12 << 1462247573.84296894 Mix (60.95916s) stopped
T12 << 1462247573.84303689 Density (2310.41479s) stopped
T12 >> 1462247573.84306693 Hamiltonian (6410.45532s) started
T12 >> 1462247573.84308410 vbar (3.89086s) started
T12 << 1462247573.88000607 vbar (3.92778s) stopped
T12 >> 1462247573.88018489 XC 3D grid (3992.36571s) started
T12 >> 1462247574.34580112 van der Waals (3857.64093s) started
T12 >> 1462247574.46142411 semilocal (813.42022s) started
T12 << 1462247580.19675803 semilocal (819.15555s) stopped
T12 >> 1462247580.27220893 redistribute (409.21048s) started
T12 << 1462247581.33412099 redistribute (410.27239s) stopped
T12 >> 1462247581.33417010 libvdwxc nonlocal (2608.07637s) started
T12 << 1462247599.43280005 libvdwxc nonlocal (2626.17500s) stopped
T12 >> 1462247599.43288994 redistribute (410.27243s) started
T12 << 1462247602.17874789 redistribute (413.01829s) stopped
T12 << 1462247602.18013096 van der Waals (3885.47526s) stopped
T12 << 1462247602.63119411 XC 3D grid (4021.11672s) stopped
T12 >> 1462247602.63125706 Poisson (1029.05981s) started
T12 << 1462247608.32803607 Poisson (1034.75659s) stopped
T12 >> 1462247608.32812810 Hartree integrate/restrict (51.73017s) started
T12 << 1462247608.36561203 Hartree integrate/restrict (51.76765s) stopped
T12 >> 1462247608.36571503 Hartree integrate/restrict (51.76771s) started
T12 << 1462247608.71001601 Hartree integrate/restrict (52.11201s) stopped
T12 >> 1462247608.71035194 Atomic (336.09658s) started
T12 >> 1462247608.71260095 XC Correction (0.00473s) started
T12 << 1462247608.71264410 XC Correction (0.00478s) stopped
T12 << 1462247611.06754804 Atomic (338.45377s) stopped
T12 >> 1462247611.06767011 Communicate (997.23692s) started
T12 << 1462247618.34418702 Communicate (1004.51343s) stopped
T12 << 1462247618.34422708 Hamiltonian (6454.95648s) stopped
T12 >> 1462247618.34425402 LCAO eigensolver (9412.80758s) started
T12 >> 1462247618.34426689 Potential matrix (144.38213s) started
T12 << 1462247619.28214407 Potential matrix (145.32001s) stopped
T12 >> 1462247619.28223991 DistributedAtomicCorrection (56.22824s) started
T12 << 1462247619.65133309 DistributedAtomicCorrection (56.59733s) stopped
T12 >> 1462247619.65138602 Distribute overlap matrix (1013.64473s) started
T12 >> 1462247619.65141010 blocked summation (574.44246s) started
T12 << 1462247623.56203794 blocked summation (578.35309s) stopped
T12 >> 1462247623.57192612 Scalapack redistribute (437.72961s) started
T12 << 1462247626.47491598 Scalapack redistribute (440.63260s) stopped
T12 << 1462247626.47499800 Distribute overlap matrix (1020.46834s) stopped
T12 >> 1462247626.47974801 Blacs Orbital Layouts (7940.63965s) started
T12 >> 1462247626.48845005 General diagonalize (7909.08153s) started
T12 << 1462247679.96728992 General diagonalize (7962.56037s) stopped
T12 >> 1462247679.96733499 Redistribute coefs (1.18183s) started
T12 << 1462247679.97490692 Redistribute coefs (1.18940s) stopped
T12 >> 1462247679.97500610 Send coefs to domains (29.04358s) started
T12 << 1462247680.07617497 Send coefs to domains (29.14475s) stopped
T12 << 1462247680.07659411 Blacs Orbital Layouts (7994.23650s) stopped
T12 >> 1462247680.07662106 Calculate projections (257.17880s) started
T12 << 1462247681.78027511 Calculate projections (258.88245s) stopped
T12 << 1462247681.78050804 LCAO eigensolver (9476.24383s) stopped
T12 >> 1462247684.94282889 Density (2310.41480s) started
T12 >> 1462247684.94284391 Pseudo density (1797.95077s) started
T12 >> 1462247684.94533110 Calculate density matrix (1689.62011s) started
T12 << 1462247696.88733697 Calculate density matrix (1701.56211s) stopped
T12 >> 1462247696.88738394 Construct density (105.50329s) started
T12 << 1462247697.62542200 Construct density (106.24133s) stopped
T12 >> 1462247697.63925004 Symmetrize density (0.01195s) started
T12 << 1462247697.63931704 Symmetrize density (0.01201s) stopped
T12 << 1462247697.64139199 Pseudo density (1810.64932s) stopped
T12 >> 1462247697.64144993 Atomic density matrices (449.18977s) started
T12 << 1462247700.81007791 Atomic density matrices (452.35840s) stopped
T12 >> 1462247700.81011105 Multipole moments (1.30988s) started
T12 << 1462247700.81966805 Multipole moments (1.31944s) stopped
T12 >> 1462247700.81969500 Normalize (0.99461s) started
T12 << 1462247700.82587099 Normalize (1.00079s) stopped
T12 >> 1462247700.82596493 Mix (60.95923s) started
T12 << 1462247701.24211502 Mix (61.37538s) stopped
T12 << 1462247701.24215698 Density (2326.71413s) stopped
T12 >> 1462247701.24218106 Hamiltonian (6454.95649s) started
T12 >> 1462247701.24219394 vbar (3.92787s) started
T12 << 1462247701.26663709 vbar (3.95231s) stopped
T12 >> 1462247701.26676893 XC 3D grid (4021.11677s) started
T12 >> 1462247701.77190399 van der Waals (3885.47534s) started
T12 >> 1462247701.88003111 semilocal (819.15566s) started
T12 << 1462247707.59227610 semilocal (824.86791s) stopped
T12 >> 1462247707.67699099 redistribute (413.01836s) started
T12 << 1462247708.73834109 redistribute (414.07971s) stopped
T12 >> 1462247708.73838210 libvdwxc nonlocal (2626.17507s) started
T12 << 1462247727.70895696 libvdwxc nonlocal (2645.14565s) stopped
T12 >> 1462247727.70902395 redistribute (414.07974s) started
T12 << 1462247729.56799603 redistribute (415.93871s) stopped
T12 << 1462247729.56953311 van der Waals (3913.27297s) stopped
T12 << 1462247730.02508092 XC 3D grid (4049.87508s) stopped
T12 >> 1462247730.02512097 Poisson (1034.75665s) started
T12 << 1462247735.86392808 Poisson (1040.59546s) stopped
T12 >> 1462247735.86400199 Hartree integrate/restrict (52.11210s) started
T12 << 1462247735.90789199 Hartree integrate/restrict (52.15599s) stopped
T12 >> 1462247735.90794611 Hartree integrate/restrict (52.15602s) started
T12 << 1462247736.23772407 Hartree integrate/restrict (52.48580s) stopped
T12 >> 1462247736.23791599 Atomic (338.45380s) started
T12 >> 1462247736.23943710 XC Correction (0.00479s) started
T12 << 1462247736.23945189 XC Correction (0.00480s) stopped
T12 << 1462247738.60517311 Atomic (340.82105s) stopped
T12 >> 1462247738.60526800 Communicate (1004.51346s) started
T12 << 1462247745.86812210 Communicate (1011.77631s) stopped
T12 << 1462247745.86815405 Hamiltonian (6499.58247s) stopped
T12 >> 1462247745.86817789 LCAO eigensolver (9476.24385s) started
T12 >> 1462247745.86819100 Potential matrix (145.32006s) started
T12 << 1462247746.82228208 Potential matrix (146.27415s) stopped
T12 >> 1462247746.82235193 DistributedAtomicCorrection (56.59737s) started
T12 << 1462247747.19177008 DistributedAtomicCorrection (56.96679s) stopped
T12 >> 1462247747.19182611 Distribute overlap matrix (1020.46836s) started
T12 >> 1462247747.19184804 blocked summation (578.35314s) started
T12 << 1462247751.09879589 blocked summation (582.26009s) stopped
T12 >> 1462247751.10820603 Scalapack redistribute (440.63264s) started
T12 << 1462247753.91621089 Scalapack redistribute (443.44064s) stopped
T12 << 1462247753.91630411 Distribute overlap matrix (1027.19284s) stopped
T12 >> 1462247753.92031288 Blacs Orbital Layouts (7994.23652s) started
T12 >> 1462247753.92803502 General diagonalize (7962.56041s) started
T12 << 1462247804.94026589 General diagonalize (8013.57264s) stopped
T12 >> 1462247804.94031310 Redistribute coefs (1.18948s) started
T12 << 1462247804.94724703 Redistribute coefs (1.19642s) stopped
T12 >> 1462247804.94733906 Send coefs to domains (29.14479s) started
T12 << 1462247805.30081892 Send coefs to domains (29.49827s) stopped
T12 << 1462247805.30098391 Blacs Orbital Layouts (8045.61719s) stopped
T12 >> 1462247805.30101204 Calculate projections (258.88250s) started
T12 << 1462247807.00431609 Calculate projections (260.58581s) stopped
T12 << 1462247807.00450206 LCAO eigensolver (9537.38017s) stopped
T12 >> 1462247810.16491699 Density (2326.71414s) started
T12 >> 1462247810.16495609 Pseudo density (1810.64937s) started
T12 >> 1462247810.16737700 Calculate density matrix (1701.56214s) started
T12 << 1462247822.17632508 Calculate density matrix (1713.57109s) stopped
T12 >> 1462247822.17637300 Construct density (106.24138s) started
T12 << 1462247822.91498494 Construct density (106.97999s) stopped
T12 >> 1462247822.92887807 Symmetrize density (0.01203s) started
T12 << 1462247822.92894912 Symmetrize density (0.01210s) stopped
T12 << 1462247822.93101692 Pseudo density (1823.41543s) stopped
T12 >> 1462247822.93107390 Atomic density matrices (452.35842s) started
T12 << 1462247826.02646303 Atomic density matrices (455.45381s) stopped
T12 >> 1462247826.02649498 Multipole moments (1.31945s) started
T12 << 1462247826.03598094 Multipole moments (1.32894s) stopped
T12 >> 1462247826.03600693 Normalize (1.00086s) started
T12 << 1462247826.04219890 Normalize (1.00705s) stopped
T12 >> 1462247826.04224801 Mix (61.37542s) started
T12 << 1462247826.48986793 Mix (61.82304s) stopped
T12 << 1462247826.48990989 Density (2343.03914s) stopped
T12 >> 1462247826.48993492 Hamiltonian (6499.58248s) started
T12 >> 1462247826.48994803 vbar (3.95239s) started
T12 << 1462247826.52204609 vbar (3.98449s) stopped
T12 >> 1462247826.52214909 XC 3D grid (4049.87511s) started
T12 >> 1462247827.00155592 van der Waals (3913.27304s) started
T12 >> 1462247827.10865808 semilocal (824.86801s) started
T12 << 1462247832.84237504 semilocal (830.60173s) stopped
T12 >> 1462247832.92083907 redistribute (415.93877s) started
T12 << 1462247833.99541998 redistribute (417.01335s) stopped
T12 >> 1462247833.99546289 libvdwxc nonlocal (2645.14570s) started
T12 << 1462247852.66411209 libvdwxc nonlocal (2663.81435s) stopped
T12 >> 1462247852.66417503 redistribute (417.01338s) started
T12 << 1462247854.46515203 redistribute (418.81436s) stopped
T12 << 1462247854.46631289 van der Waals (3940.73780s) stopped
T12 << 1462247854.91829205 XC 3D grid (4078.27126s) stopped
T12 >> 1462247854.91835403 Poisson (1040.59552s) started
T12 << 1462247860.66325092 Poisson (1046.34041s) stopped
T12 >> 1462247860.66336298 Hartree integrate/restrict (52.48583s) started
T12 << 1462247860.71193910 Hartree integrate/restrict (52.53441s) stopped
T12 >> 1462247860.71202898 Hartree integrate/restrict (52.53447s) started
T12 << 1462247861.02699399 Hartree integrate/restrict (52.84943s) stopped
T12 >> 1462247861.02721000 Atomic (340.82107s) started
T12 >> 1462247861.02902699 XC Correction (0.00482s) started
T12 << 1462247861.02906704 XC Correction (0.00486s) stopped
T12 << 1462247863.39847898 Atomic (343.19234s) stopped
T12 >> 1462247863.39856410 Communicate (1011.77634s) started
T12 << 1462247870.66988707 Communicate (1019.04766s) stopped
T12 << 1462247870.66992402 Hamiltonian (6543.76247s) stopped
T12 >> 1462247870.66994905 LCAO eigensolver (9537.38019s) started
T12 >> 1462247870.66996193 Potential matrix (146.27419s) started
T12 << 1462247871.60941911 Potential matrix (147.21365s) stopped
T12 >> 1462247871.60949397 DistributedAtomicCorrection (56.96683s) started
T12 << 1462247871.98411894 DistributedAtomicCorrection (57.34146s) stopped
T12 >> 1462247871.98417091 Distribute overlap matrix (1027.19285s) started
T12 >> 1462247871.98419189 blocked summation (582.26012s) started
T12 << 1462247875.83962393 blocked summation (586.11555s) stopped
T12 >> 1462247875.84854007 Scalapack redistribute (443.44069s) started
T12 << 1462247878.76280308 Scalapack redistribute (446.35495s) stopped
T12 << 1462247878.76289797 Distribute overlap matrix (1033.97157s) stopped
T12 >> 1462247878.76716709 Blacs Orbital Layouts (8045.61721s) started
T12 >> 1462247878.77533293 General diagonalize (8013.57267s) started
T12 << 1462247931.69741702 General diagonalize (8066.49476s) stopped
T12 >> 1462247931.69746304 Redistribute coefs (1.19649s) started
T12 << 1462247931.70416594 Redistribute coefs (1.20319s) stopped
T12 >> 1462247931.70424509 Send coefs to domains (29.49830s) started
T12 << 1462247932.39920211 Send coefs to domains (30.19326s) stopped
T12 << 1462247932.39946198 Blacs Orbital Layouts (8099.24950s) stopped
T12 >> 1462247932.39948893 Calculate projections (260.58585s) started
T12 << 1462247934.10395598 Calculate projections (262.29032s) stopped
T12 << 1462247934.10414910 LCAO eigensolver (9600.81439s) stopped
T12 >> 1462247937.23608303 Density (2343.03915s) started
T12 >> 1462247937.23609805 Pseudo density (1823.41547s) started
T12 >> 1462247937.23861289 Calculate density matrix (1713.57112s) started
T12 << 1462247949.16814089 Calculate density matrix (1725.50065s) stopped
T12 >> 1462247949.16818810 Construct density (106.98004s) started
T12 << 1462247949.90755296 Construct density (107.71941s) stopped
T12 >> 1462247949.92144299 Symmetrize density (0.01212s) started
T12 << 1462247949.92149997 Symmetrize density (0.01217s) stopped
T12 << 1462247949.92358303 Pseudo density (1836.10296s) stopped
T12 >> 1462247949.92364097 Atomic density matrices (455.45384s) started
T12 << 1462247953.11034107 Atomic density matrices (458.64054s) stopped
T12 >> 1462247953.11037397 Multipole moments (1.32895s) started
T12 << 1462247953.12029099 Multipole moments (1.33887s) stopped
T12 >> 1462247953.12031698 Normalize (1.00709s) started
T12 << 1462247953.12648702 Normalize (1.01326s) stopped
T12 >> 1462247953.12656212 Mix (61.82309s) started
T12 << 1462247953.54215503 Mix (62.23868s) stopped
T12 << 1462247953.54220295 Density (2359.34527s) stopped
T12 >> 1462247953.54222798 Hamiltonian (6543.76248s) started
T12 >> 1462247953.54224300 vbar (3.98453s) started
T12 << 1462247953.56301403 vbar (4.00531s) stopped
T12 >> 1462247953.56310391 XC 3D grid (4078.27131s) started
T12 >> 1462247954.07354498 van der Waals (3940.73783s) started
T12 >> 1462247954.18060994 semilocal (830.60183s) started
T12 << 1462247959.84930706 semilocal (836.27053s) stopped
T12 >> 1462247959.94008803 redistribute (418.81439s) started
T12 << 1462247961.08038092 redistribute (419.95469s) stopped
T12 >> 1462247961.08042598 libvdwxc nonlocal (2663.81439s) started
T12 << 1462247979.44804001 libvdwxc nonlocal (2682.18201s) stopped
T12 >> 1462247979.44809794 redistribute (419.95472s) started
T12 << 1462247981.05730104 redistribute (421.56392s) stopped
T12 << 1462247981.05845904 van der Waals (3967.72274s) stopped
T12 << 1462247981.51175094 XC 3D grid (4106.21996s) stopped
T12 >> 1462247981.51181507 Poisson (1046.34050s) started
T12 << 1462247985.78971195 Poisson (1050.61840s) stopped
T12 >> 1462247985.78982997 Hartree integrate/restrict (52.84947s) started
T12 << 1462247985.83340096 Hartree integrate/restrict (52.89304s) stopped
T12 >> 1462247985.83349609 Hartree integrate/restrict (52.89311s) started
T12 << 1462247986.14817500 Hartree integrate/restrict (53.20779s) stopped
T12 >> 1462247986.14837098 Atomic (343.19237s) started
T12 >> 1462247986.14990807 XC Correction (0.00487s) started
T12 << 1462247986.14992189 XC Correction (0.00488s) stopped
T12 << 1462247988.51410198 Atomic (345.55810s) stopped
T12 >> 1462247988.51418591 Communicate (1019.04768s) started
T12 << 1462247995.79844594 Communicate (1026.33194s) stopped
T12 << 1462247995.79847789 Hamiltonian (6586.01873s) stopped
T12 >> 1462247995.79850101 LCAO eigensolver (9600.81441s) started
T12 >> 1462247995.79851389 Potential matrix (147.21370s) started
T12 << 1462247996.75266290 Potential matrix (148.16785s) stopped
T12 >> 1462247996.75273204 DistributedAtomicCorrection (57.34150s) started
T12 << 1462247997.12270594 DistributedAtomicCorrection (57.71147s) stopped
T12 >> 1462247997.12275791 Distribute overlap matrix (1033.97159s) started
T12 >> 1462247997.12277889 blocked summation (586.11558s) started
T12 << 1462248000.99635196 blocked summation (589.98916s) stopped
T12 >> 1462248001.00637197 Scalapack redistribute (446.35501s) started
T12 << 1462248003.91543388 Scalapack redistribute (449.26407s) stopped
T12 << 1462248003.91554189 Distribute overlap matrix (1040.76437s) stopped
T12 >> 1462248003.91966105 Blacs Orbital Layouts (8099.24952s) started
T12 >> 1462248003.92782307 General diagonalize (8066.49480s) started
T12 << 1462248057.53259897 General diagonalize (8120.09957s) stopped
T12 >> 1462248057.53270006 Redistribute coefs (1.20326s) started
T12 << 1462248057.54117703 Redistribute coefs (1.21173s) stopped
T12 >> 1462248057.54122210 Send coefs to domains (30.19329s) started
T12 << 1462248057.67780900 Send coefs to domains (30.32988s) stopped
T12 << 1462248057.67808700 Blacs Orbital Layouts (8153.00795s) stopped
T12 >> 1462248057.67811704 Calculate projections (262.29037s) started
T12 << 1462248059.39359307 Calculate projections (264.00585s) stopped
T12 << 1462248059.39407396 LCAO eigensolver (9664.40998s) stopped
T12 >> 1462248062.53208303 Density (2359.34528s) started
T12 >> 1462248062.53209805 Pseudo density (1836.10300s) started
T12 >> 1462248062.53480911 Calculate density matrix (1725.50068s) started
T12 << 1462248074.69668508 Calculate density matrix (1737.66256s) stopped
T12 >> 1462248074.69674110 Construct density (107.71946s) started
T12 << 1462248075.43548298 Construct density (108.45820s) stopped
T12 >> 1462248075.45187902 Symmetrize density (0.01219s) started
T12 << 1462248075.45194507 Symmetrize density (0.01226s) stopped
T12 << 1462248075.45438695 Pseudo density (1849.02529s) stopped
T12 >> 1462248075.45445395 Atomic density matrices (458.64056s) started
T12 << 1462248078.60873699 Atomic density matrices (461.79485s) stopped
T12 >> 1462248078.60877395 Multipole moments (1.33889s) started
T12 << 1462248078.61811805 Multipole moments (1.34823s) stopped
T12 >> 1462248078.61814809 Normalize (1.01332s) started
T12 << 1462248078.62575006 Normalize (1.02092s) stopped
T12 >> 1462248078.62581205 Mix (62.23873s) started
T12 << 1462248079.10445189 Mix (62.71737s) stopped
T12 << 1462248079.10448694 Density (2375.91769s) stopped
T12 >> 1462248079.10451293 Hamiltonian (6586.01874s) started
T12 >> 1462248079.10452795 vbar (4.00536s) started
T12 << 1462248079.13900900 vbar (4.03984s) stopped
T12 >> 1462248079.13909411 XC 3D grid (4106.22001s) started
T12 >> 1462248079.60959291 van der Waals (3967.72277s) started
T12 >> 1462248079.72243905 semilocal (836.27066s) started
T12 << 1462248085.53116488 semilocal (842.07939s) stopped
T12 >> 1462248085.60752201 redistribute (421.56398s) started
T12 << 1462248086.57657695 redistribute (422.53303s) stopped
T12 >> 1462248086.57662797 libvdwxc nonlocal (2682.18205s) started
T12 << 1462248105.18703794 libvdwxc nonlocal (2700.79246s) stopped
T12 >> 1462248105.18711996 redistribute (422.53307s) started
T12 << 1462248107.27335000 redistribute (424.61930s) stopped
T12 << 1462248107.27461004 van der Waals (3995.38779s) stopped
T12 << 1462248107.72941709 XC 3D grid (4134.81033s) stopped
T12 >> 1462248107.72948098 Poisson (1050.61850s) started
T12 << 1462248112.19454598 Poisson (1055.08356s) stopped
T12 >> 1462248112.19465899 Hartree integrate/restrict (53.20782s) started
T12 << 1462248112.23385501 Hartree integrate/restrict (53.24702s) stopped
T12 >> 1462248112.23394203 Hartree integrate/restrict (53.24707s) started
T12 << 1462248112.57148910 Hartree integrate/restrict (53.58462s) stopped
T12 >> 1462248112.57168102 Atomic (345.55812s) started
T12 >> 1462248112.57325912 XC Correction (0.00490s) started
T12 << 1462248112.57327294 XC Correction (0.00491s) stopped
T12 << 1462248114.93994689 Atomic (347.92638s) stopped
T12 >> 1462248114.94003510 Communicate (1026.33196s) started
T12 << 1462248122.19903111 Communicate (1033.59096s) stopped
T12 << 1462248122.19906497 Hamiltonian (6629.11329s) stopped
T12 >> 1462248122.19908905 LCAO eigensolver (9664.41000s) started
T12 >> 1462248122.19910312 Potential matrix (148.16789s) started
T12 << 1462248123.14996004 Potential matrix (149.11874s) stopped
T12 >> 1462248123.15005708 DistributedAtomicCorrection (57.71151s) started
T12 << 1462248123.52801204 DistributedAtomicCorrection (58.08947s) stopped
T12 >> 1462248123.52806592 Distribute overlap matrix (1040.76438s) started
T12 >> 1462248123.52809095 blocked summation (589.98921s) started
T12 << 1462248127.38806701 blocked summation (593.84918s) stopped
T12 >> 1462248127.39781904 Scalapack redistribute (449.26413s) started
T12 << 1462248130.32026505 Scalapack redistribute (452.18658s) stopped
T12 << 1462248130.32035708 Distribute overlap matrix (1047.55667s) stopped
T12 >> 1462248130.32518601 Blacs Orbital Layouts (8153.00797s) started
T12 >> 1462248130.33337307 General diagonalize (8120.09966s) started
T12 << 1462248181.41111493 General diagonalize (8171.17741s) stopped
T12 >> 1462248181.41116095 Redistribute coefs (1.21177s) started
T12 << 1462248181.41852689 Redistribute coefs (1.21913s) stopped
T12 >> 1462248181.41859889 Send coefs to domains (30.32992s) started
T12 << 1462248181.53821898 Send coefs to domains (30.44954s) stopped
T12 << 1462248181.53852391 Blacs Orbital Layouts (8204.22130s) stopped
T12 >> 1462248181.53855205 Calculate projections (264.00591s) started
T12 << 1462248183.24240398 Calculate projections (265.70976s) stopped
T12 << 1462248183.24286509 LCAO eigensolver (9725.45378s) stopped
T12 >> 1462248186.37998700 Density (2375.91770s) started
T12 >> 1462248186.38000202 Pseudo density (1849.02535s) started
T12 >> 1462248186.38251710 Calculate density matrix (1737.66260s) started
T12 << 1462248198.40554309 Calculate density matrix (1749.68562s) stopped
T12 >> 1462248198.40559101 Construct density (108.45826s) started
T12 << 1462248199.14328909 Construct density (109.19596s) stopped
T12 >> 1462248199.15728807 Symmetrize density (0.01227s) started
T12 << 1462248199.15735006 Symmetrize density (0.01233s) stopped
T12 << 1462248199.15942788 Pseudo density (1861.80477s) stopped
T12 >> 1462248199.15948510 Atomic density matrices (461.79487s) started
T12 << 1462248202.36252499 Atomic density matrices (464.99791s) stopped
T12 >> 1462248202.36255693 Multipole moments (1.34825s) started
T12 << 1462248202.37248993 Multipole moments (1.35818s) stopped
T12 >> 1462248202.37251711 Normalize (1.02097s) started
T12 << 1462248202.37898707 Normalize (1.02744s) stopped
T12 >> 1462248202.37907100 Mix (62.71740s) started
T12 << 1462248202.77861190 Mix (63.11694s) stopped
T12 << 1462248202.77865791 Density (2392.31637s) stopped
T12 >> 1462248202.77868295 Hamiltonian (6629.11331s) started
T12 >> 1462248202.77869701 vbar (4.03989s) started
T12 << 1462248202.80217409 vbar (4.06336s) stopped
T12 >> 1462248202.80227399 XC 3D grid (4134.81038s) started
T12 >> 1462248203.36156201 van der Waals (3995.38782s) started
T12 >> 1462248203.46775889 semilocal (842.07945s) started
T12 << 1462248209.23348093 semilocal (847.84517s) stopped
T12 >> 1462248209.31714392 redistribute (424.61934s) started
T12 << 1462248210.36718607 redistribute (425.66938s) stopped
T12 >> 1462248210.36722803 libvdwxc nonlocal (2700.79253s) started
T12 << 1462248229.24449992 libvdwxc nonlocal (2719.66980s) stopped
T12 >> 1462248229.24456310 redistribute (425.66942s) started
T12 << 1462248231.75635910 redistribute (428.18121s) stopped
T12 << 1462248231.75760794 van der Waals (4023.78386s) stopped
T12 << 1462248232.21619701 XC 3D grid (4164.22431s) stopped
T12 >> 1462248232.21623802 Poisson (1055.08364s) started
T12 << 1462248236.64227700 Poisson (1059.50968s) stopped
T12 >> 1462248236.64235210 Hartree integrate/restrict (53.58466s) started
T12 << 1462248236.69234800 Hartree integrate/restrict (53.63465s) stopped
T12 >> 1462248236.69239807 Hartree integrate/restrict (53.63468s) started
T12 << 1462248237.03343010 Hartree integrate/restrict (53.97571s) stopped
T12 >> 1462248237.03369498 Atomic (347.92641s) started
T12 >> 1462248237.03571105 XC Correction (0.00492s) started
T12 << 1462248237.03573799 XC Correction (0.00495s) stopped
T12 << 1462248239.38727903 Atomic (350.27999s) stopped
T12 >> 1462248239.38736105 Communicate (1033.59098s) started
T12 << 1462248246.64019990 Communicate (1040.84382s) stopped
T12 << 1462248246.64023209 Hamiltonian (6672.97485s) stopped
T12 >> 1462248246.64025593 LCAO eigensolver (9725.45380s) started
T12 >> 1462248246.64026904 Potential matrix (149.11880s) started
T12 << 1462248247.60296607 Potential matrix (150.08150s) stopped
T12 >> 1462248247.60303497 DistributedAtomicCorrection (58.08951s) started
T12 << 1462248247.97614098 DistributedAtomicCorrection (58.46261s) stopped
T12 >> 1462248247.97619295 Distribute overlap matrix (1047.55669s) started
T12 >> 1462248247.97624111 blocked summation (593.84922s) started
T12 << 1462248251.85767007 blocked summation (597.73065s) stopped
T12 >> 1462248251.86767197 Scalapack redistribute (452.18662s) started
T12 << 1462248254.84043908 Scalapack redistribute (455.15939s) stopped
T12 << 1462248254.84054589 Distribute overlap matrix (1054.42104s) stopped
T12 >> 1462248254.84469700 Blacs Orbital Layouts (8204.22132s) started
T12 >> 1462248254.85337996 General diagonalize (8171.17744s) started
T12 << 1462248308.63457894 General diagonalize (8224.95864s) stopped
T12 >> 1462248308.63462305 Redistribute coefs (1.21919s) started
T12 << 1462248308.64149904 Redistribute coefs (1.22606s) stopped
T12 >> 1462248308.64157200 Send coefs to domains (30.44957s) started
T12 << 1462248308.74215293 Send coefs to domains (30.55015s) stopped
T12 << 1462248308.74250197 Blacs Orbital Layouts (8258.11913s) stopped
T12 >> 1462248308.74252892 Calculate projections (265.70981s) started
T12 << 1462248310.44644499 Calculate projections (267.41373s) stopped
T12 << 1462248310.44662595 LCAO eigensolver (9789.26017s) stopped
T12 >> 1462248313.59502697 Density (2392.31638s) started
T12 >> 1462248313.59504199 Pseudo density (1861.80482s) started
T12 >> 1462248313.59760094 Calculate density matrix (1749.68565s) started
T12 << 1462248325.55408692 Calculate density matrix (1761.64214s) stopped
T12 >> 1462248325.55413389 Construct density (109.19601s) started
T12 << 1462248326.29176593 Construct density (109.93364s) stopped
T12 >> 1462248326.30586004 Symmetrize density (0.01235s) started
T12 << 1462248326.30591702 Symmetrize density (0.01241s) stopped
T12 << 1462248326.30800009 Pseudo density (1874.51778s) stopped
T12 >> 1462248326.30805802 Atomic density matrices (464.99794s) started
T12 << 1462248329.42666793 Atomic density matrices (468.11655s) stopped
T12 >> 1462248329.42669892 Multipole moments (1.35820s) started
T12 << 1462248329.43665600 Multipole moments (1.36816s) stopped
T12 >> 1462248329.43668294 Normalize (1.02750s) started
T12 << 1462248329.44272709 Normalize (1.03355s) stopped
T12 >> 1462248329.44284701 Mix (63.11699s) started
T12 << 1462248329.87042403 Mix (63.54456s) stopped
T12 << 1462248329.87047696 Density (2408.59183s) stopped
T12 >> 1462248329.87050390 Hamiltonian (6672.97487s) started
T12 >> 1462248329.87051797 vbar (4.06343s) started
T12 << 1462248329.89241099 vbar (4.08532s) stopped
T12 >> 1462248329.89246988 XC 3D grid (4164.22434s) started
T12 >> 1462248330.44006896 van der Waals (4023.78390s) started
T12 >> 1462248330.54964089 semilocal (847.84528s) started
T12 << 1462248336.30528307 semilocal (853.60093s) stopped
T12 >> 1462248336.38870001 redistribute (428.18125s) started
T12 << 1462248337.41624594 redistribute (429.20879s) stopped
T12 >> 1462248337.41629004 libvdwxc nonlocal (2719.66985s) started
T12 << 1462248355.97029710 libvdwxc nonlocal (2738.22385s) stopped
T12 >> 1462248355.97036004 redistribute (429.20883s) started
T12 << 1462248358.54933310 redistribute (431.78780s) stopped
T12 << 1462248358.55018306 van der Waals (4051.89401s) stopped
T12 << 1462248359.01030493 XC 3D grid (4193.34217s) stopped
T12 >> 1462248359.01034689 Poisson (1059.50974s) started
T12 << 1462248363.36323309 Poisson (1063.86262s) stopped
T12 >> 1462248363.36333489 Hartree integrate/restrict (53.97576s) started
T12 << 1462248363.40498495 Hartree integrate/restrict (54.01741s) stopped
T12 >> 1462248363.40502691 Hartree integrate/restrict (54.01744s) started
T12 << 1462248363.75083494 Hartree integrate/restrict (54.36325s) stopped
T12 >> 1462248363.75109291 Atomic (350.28002s) started
T12 >> 1462248363.75284791 XC Correction (0.00496s) started
T12 << 1462248363.75286603 XC Correction (0.00498s) stopped
T12 << 1462248366.09999990 Atomic (352.62892s) stopped
T12 >> 1462248366.10008693 Communicate (1040.84384s) started
T12 << 1462248373.37000799 Communicate (1048.11376s) stopped
T12 << 1462248373.37003589 Hamiltonian (6716.47440s) stopped
T12 >> 1462248373.37005806 LCAO eigensolver (9789.26019s) started
T12 >> 1462248373.37006998 Potential matrix (150.08154s) started
T12 << 1462248374.33359289 Potential matrix (151.04506s) stopped
T12 >> 1462248374.33366203 DistributedAtomicCorrection (58.46265s) started
T12 << 1462248374.70145798 DistributedAtomicCorrection (58.83045s) stopped
T12 >> 1462248374.70150900 Distribute overlap matrix (1054.42105s) started
T12 >> 1462248374.70152903 blocked summation (597.73068s) started
T12 << 1462248378.58511901 blocked summation (601.61427s) stopped
T12 >> 1462248378.59428811 Scalapack redistribute (455.15945s) started
T12 << 1462248381.50141692 Scalapack redistribute (458.06658s) stopped
T12 << 1462248381.50150490 Distribute overlap matrix (1061.22105s) stopped
T12 >> 1462248381.50557995 Blacs Orbital Layouts (8258.11915s) started
T12 >> 1462248381.51406693 General diagonalize (8224.95868s) started
T12 << 1462248435.43730998 General diagonalize (8278.88192s) stopped
T12 >> 1462248435.43738699 Redistribute coefs (1.22613s) started
T12 << 1462248435.44579291 Redistribute coefs (1.23453s) stopped
T12 >> 1462248435.44586611 Send coefs to domains (30.55018s) started
T12 << 1462248435.64222407 Send coefs to domains (30.74654s) stopped
T12 << 1462248435.64281702 Blacs Orbital Layouts (8312.25638s) stopped
T12 >> 1462248435.64285207 Calculate projections (267.41377s) started
T12 << 1462248437.35738111 Calculate projections (269.12830s) stopped
T12 << 1462248437.35762095 LCAO eigensolver (9853.24775s) stopped
T12 >> 1462248440.51716304 Density (2408.59185s) started
T12 >> 1462248440.51717901 Pseudo density (1874.51782s) started
T12 >> 1462248440.52000594 Calculate density matrix (1761.64217s) started
T12 << 1462248452.46381307 Calculate density matrix (1773.58598s) stopped
T12 >> 1462248452.46387196 Construct density (109.93369s) started
T12 << 1462248453.20198488 Construct density (110.67181s) stopped
T12 >> 1462248453.21802092 Symmetrize density (0.01243s) started
T12 << 1462248453.21808410 Symmetrize density (0.01249s) stopped
T12 << 1462248453.22053409 Pseudo density (1887.22118s) stopped
T12 >> 1462248453.22060299 Atomic density matrices (468.11657s) started
T12 << 1462248456.41694093 Atomic density matrices (471.31291s) stopped
T12 >> 1462248456.41697788 Multipole moments (1.36817s) started
T12 << 1462248456.42640209 Multipole moments (1.37759s) stopped
T12 >> 1462248456.42642999 Normalize (1.03365s) started
T12 << 1462248456.43297410 Normalize (1.04019s) stopped
T12 >> 1462248456.43301892 Mix (63.54462s) started
T12 << 1462248456.88998389 Mix (64.00158s) stopped
T12 << 1462248456.89003801 Density (2424.96472s) stopped
T12 >> 1462248456.89006305 Hamiltonian (6716.47441s) started
T12 >> 1462248456.89007807 vbar (4.08535s) started
T12 << 1462248456.91521502 vbar (4.11049s) stopped
T12 >> 1462248456.91529489 XC 3D grid (4193.34221s) started
T12 >> 1462248457.41345000 van der Waals (4051.89403s) started
T12 >> 1462248457.52805495 semilocal (853.60104s) started
T12 << 1462248463.26163602 semilocal (859.33462s) stopped
T12 >> 1462248463.33680606 redistribute (431.78783s) started
T12 << 1462248464.37288094 redistribute (432.82391s) stopped
T12 >> 1462248464.37293196 libvdwxc nonlocal (2738.22390s) started
T12 << 1462248482.54167104 libvdwxc nonlocal (2756.39264s) stopped
T12 >> 1462248482.54175210 redistribute (432.82395s) started
T12 << 1462248485.66978407 redistribute (435.95198s) stopped
T12 << 1462248485.67078495 van der Waals (4080.15137s) stopped
T12 << 1462248486.12313294 XC 3D grid (4222.55004s) stopped
T12 >> 1462248486.12319207 Poisson (1063.86270s) started
T12 << 1462248490.46123505 Poisson (1068.20074s) stopped
T12 >> 1462248490.46139598 Hartree integrate/restrict (54.36329s) started
T12 << 1462248490.49899411 Hartree integrate/restrict (54.40089s) stopped
T12 >> 1462248490.49909210 Hartree integrate/restrict (54.40095s) started
T12 << 1462248490.80921507 Hartree integrate/restrict (54.71108s) stopped
T12 >> 1462248490.80942607 Atomic (352.62894s) started
T12 >> 1462248490.81101990 XC Correction (0.00499s) started
T12 << 1462248490.81103492 XC Correction (0.00501s) stopped
T12 << 1462248493.19864392 Atomic (355.01816s) stopped
T12 >> 1462248493.19876409 Communicate (1048.11378s) started
T12 << 1462248500.46114206 Communicate (1055.37616s) stopped
T12 << 1462248500.46117997 Hamiltonian (6760.04553s) stopped
T12 >> 1462248500.46120596 LCAO eigensolver (9853.24777s) started
T12 >> 1462248500.46121907 Potential matrix (151.04510s) started
T12 << 1462248501.42245293 Potential matrix (152.00634s) stopped
T12 >> 1462248501.42253494 DistributedAtomicCorrection (58.83049s) started
T12 << 1462248501.79579592 DistributedAtomicCorrection (59.20375s) stopped
T12 >> 1462248501.79585099 Distribute overlap matrix (1061.22106s) started
T12 >> 1462248501.79587507 blocked summation (601.61430s) started
T12 << 1462248505.64375401 blocked summation (605.46218s) stopped
T12 >> 1462248505.65280199 Scalapack redistribute (458.06662s) started
T12 << 1462248508.55413103 Scalapack redistribute (460.96795s) stopped
T12 << 1462248508.55424690 Distribute overlap matrix (1067.97946s) stopped
T12 >> 1462248508.55921888 Blacs Orbital Layouts (8312.25641s) started
T12 >> 1462248508.56783390 General diagonalize (8278.88199s) started
T12 << 1462248559.26020408 General diagonalize (8329.57436s) stopped
T12 >> 1462248559.26027393 Redistribute coefs (1.23459s) started
T12 << 1462248559.26876807 Redistribute coefs (1.24308s) stopped
T12 >> 1462248559.26882005 Send coefs to domains (30.74658s) started
T12 << 1462248559.40205097 Send coefs to domains (30.87981s) stopped
T12 << 1462248559.40242696 Blacs Orbital Layouts (8363.09962s) stopped
T12 >> 1462248559.40245795 Calculate projections (269.12836s) started
T12 << 1462248561.11636496 Calculate projections (270.84227s) stopped
T12 << 1462248561.11655688 LCAO eigensolver (9913.90312s) stopped
T12 >> 1462248564.23358703 Density (2424.96473s) started
T12 >> 1462248564.23360300 Pseudo density (1887.22123s) started
T12 >> 1462248564.23682189 Calculate density matrix (1773.58602s) started
T12 << 1462248576.30277896 Calculate density matrix (1785.65198s) stopped
T12 >> 1462248576.30283809 Construct density (110.67187s) started
T12 << 1462248577.04089308 Construct density (111.40992s) stopped
T12 >> 1462248577.05683088 Symmetrize density (0.01251s) started
T12 << 1462248577.05690908 Symmetrize density (0.01259s) stopped
T12 << 1462248577.05935311 Pseudo density (1900.04698s) stopped
T12 >> 1462248577.05942011 Atomic density matrices (471.31294s) started
T12 << 1462248580.23207498 Atomic density matrices (474.48559s) stopped
T12 >> 1462248580.23211098 Multipole moments (1.37761s) started
T12 << 1462248580.24202394 Multipole moments (1.38752s) stopped
T12 >> 1462248580.24205303 Normalize (1.04022s) started
T12 << 1462248580.24884391 Normalize (1.04701s) stopped
T12 >> 1462248580.24888802 Mix (64.00163s) started
T12 << 1462248580.75999594 Mix (64.51274s) stopped
T12 << 1462248580.76006508 Density (2441.49121s) stopped
T12 >> 1462248580.76009893 Hamiltonian (6760.04554s) started
T12 >> 1462248580.76011801 vbar (4.11053s) started
T12 << 1462248580.79019809 vbar (4.14061s) stopped
T12 >> 1462248580.79036593 XC 3D grid (4222.55009s) started
T12 >> 1462248581.24882603 van der Waals (4080.15140s) started
T12 >> 1462248581.36239696 semilocal (859.33469s) started
T12 << 1462248587.13884306 semilocal (865.11114s) stopped
T12 >> 1462248587.21700907 redistribute (435.95202s) started
T12 << 1462248588.20829606 redistribute (436.94331s) stopped
T12 >> 1462248588.20834899 libvdwxc nonlocal (2756.39270s) started
T12 << 1462248606.63456988 libvdwxc nonlocal (2774.81892s) stopped
T12 >> 1462248606.63463998 redistribute (436.94335s) started
T12 << 1462248609.67667103 redistribute (439.98538s) stopped
T12 << 1462248609.67789793 van der Waals (4108.58048s) stopped
T12 << 1462248610.12930894 XC 3D grid (4251.88904s) stopped
T12 >> 1462248610.12935305 Poisson (1068.20087s) started
T12 << 1462248614.48535204 Poisson (1072.55687s) stopped
T12 >> 1462248614.48544192 Hartree integrate/restrict (54.71112s) started
T12 << 1462248614.52275205 Hartree integrate/restrict (54.74843s) stopped
T12 >> 1462248614.52291012 Hartree integrate/restrict (54.74855s) started
T12 << 1462248614.87008905 Hartree integrate/restrict (55.09573s) stopped
T12 >> 1462248614.87038803 Atomic (355.01821s) started
T12 >> 1462248614.87256503 XC Correction (0.00502s) started
T12 << 1462248614.87260294 XC Correction (0.00506s) stopped
T12 << 1462248617.22108603 Atomic (357.36891s) stopped
T12 >> 1462248617.22117496 Communicate (1055.37618s) started
T12 << 1462248624.51939201 Communicate (1062.67440s) stopped
T12 << 1462248624.51942492 Hamiltonian (6803.80487s) stopped
T12 >> 1462248624.51944995 LCAO eigensolver (9913.90314s) started
T12 >> 1462248624.51946306 Potential matrix (152.00638s) started
T12 << 1462248625.48185992 Potential matrix (152.96878s) stopped
T12 >> 1462248625.48194098 DistributedAtomicCorrection (59.20379s) started
T12 << 1462248625.85871506 DistributedAtomicCorrection (59.58056s) stopped
T12 >> 1462248625.85876799 Distribute overlap matrix (1067.97947s) started
T12 >> 1462248625.85879302 blocked summation (605.46221s) started
T12 << 1462248629.72398496 blocked summation (609.32741s) stopped
T12 >> 1462248629.73294902 Scalapack redistribute (460.96802s) started
T12 << 1462248632.62433004 Scalapack redistribute (463.85940s) stopped
T12 << 1462248632.62445211 Distribute overlap matrix (1074.74516s) stopped
T12 >> 1462248632.62999105 Blacs Orbital Layouts (8363.09964s) started
T12 >> 1462248632.63864493 General diagonalize (8329.57441s) started
T12 << 1462248683.53645897 General diagonalize (8380.47223s) stopped
T12 >> 1462248683.53653002 Redistribute coefs (1.24312s) started
T12 << 1462248683.54516602 Redistribute coefs (1.25176s) stopped
T12 >> 1462248683.54521203 Send coefs to domains (30.87985s) started
T12 << 1462248683.64650106 Send coefs to domains (30.98114s) stopped
T12 << 1462248683.64686108 Blacs Orbital Layouts (8414.11651s) stopped
T12 >> 1462248683.64688993 Calculate projections (270.84232s) started
T12 << 1462248685.36178899 Calculate projections (272.55722s) stopped
T12 << 1462248685.36199594 LCAO eigensolver (9974.74568s) stopped
T12 << 1462248688.49359703 SCF-cycle (19724.04375s) stopped
T12 >> 1462248690.64463997 Force calculation (588.91914s) started
T12 >> 1462248690.64470291 LCAO forces (582.28168s) started
T12 >> 1462248690.64507508 Initial (0.00018s) started
T12 << 1462248690.64508605 Initial (0.00019s) stopped
T12 >> 1462248690.65107799 Get density matrix (308.92320s) started
T12 << 1462248699.78787494 Get density matrix (318.05999s) stopped
T12 >> 1462248699.78792191 Potential (47.34707s) started
T12 << 1462248705.72982693 Potential (53.28897s) stopped
T12 >> 1462248705.72988701 Get density matrix (318.06003s) started
T12 << 1462248735.20171809 Get density matrix (347.53186s) stopped
T12 >> 1462248735.20178699 Prepare TCI loop (16.59639s) started
T12 >> 1462248735.20228910 Get neighbors (14.98062s) started
T12 << 1462248737.13699508 Get neighbors (16.91533s) stopped
T12 >> 1462248737.13759494 broadcast dH (1.60804s) started
T12 << 1462248737.27562499 broadcast dH (1.74607s) stopped
T12 << 1462248737.27567196 Prepare TCI loop (18.67027s) stopped
T12 >> 1462248737.27569199 Not so complicated loop (0.91969s) started
T12 << 1462248737.39487505 Not so complicated loop (1.03887s) stopped
T12 >> 1462248737.52058911 Complicated loop (135.24560s) started
T12 << 1462248755.04901409 Complicated loop (152.77402s) stopped
T12 >> 1462248755.04997492 Wait for sum (72.31780s) started
T12 << 1462248764.18682790 Wait for sum (81.45465s) stopped
T12 << 1462248764.18686604 LCAO forces (655.82384s) stopped
T12 << 1462248765.03180695 Force calculation (663.30631s) stopped
T12 >> 1462248765.04937410 Initialization (1016.60793s) started
T12 << 1462248765.04953408 Initialization (1016.60809s) stopped
T12 >> 1462248765.04974508 Initialization (1016.60810s) started
T12 << 1462248765.04987502 Initialization (1016.60823s) stopped
T12 >> 1462248765.05000591 Initialization (1016.60825s) started
T12 << 1462248765.05012798 Initialization (1016.60837s) stopped
T12 >> 1462248785.19584799 Initialization (1016.60839s) started
T12 >> 1462248785.68884397 Basic WFS set positions (0.72178s) started
T12 >> 1462248785.68890095 Redistribute (0.00408s) started
T12 << 1462248785.68904090 Redistribute (0.00422s) stopped
T12 << 1462248785.77122211 Basic WFS set positions (0.80416s) stopped
T12 >> 1462248785.77124596 Basis functions set positions (14.44181s) started
T12 << 1462248787.45601606 Basis functions set positions (16.12658s) stopped
T12 >> 1462248787.45636296 TCI: Calculate S, T, P (125.74831s) started
T12 << 1462248801.84157205 TCI: Calculate S, T, P (140.13352s) stopped
T12 >> 1462248801.84163404 blocked summation (148.80832s) started
T12 << 1462248819.39638400 blocked summation (166.36307s) stopped
T12 >> 1462248819.40549994 Scalapack redistribute (56.13141s) started
T12 << 1462248825.81463289 Scalapack redistribute (62.54055s) stopped
T12 >> 1462248825.81552196 blocked summation (166.36312s) started
T12 << 1462248826.90073991 blocked summation (167.44834s) stopped
T12 >> 1462248826.90952206 Scalapack redistribute (62.54059s) started
T12 << 1462248827.12912703 Scalapack redistribute (62.76019s) stopped
T12 >> 1462248827.13135791 Redistribute (0.00751s) started
T12 << 1462248827.13188195 Redistribute (0.00804s) stopped
T12 >> 1462248828.73069906 Redistribute (0.00806s) started
T12 << 1462248828.73113608 Redistribute (0.00850s) stopped
T12 >> 1462248828.74732399 LCAO WFS Initialize (650.03548s) started
T12 >> 1462248828.74736309 Density initialize from wavefunctions (113.62724s) started
T12 >> 1462248828.75241709 Calculate density matrix (79.45633s) started
T12 << 1462248838.55242395 Calculate density matrix (89.25634s) stopped
T12 >> 1462248838.55247998 Construct density (5.92241s) started
T12 << 1462248839.29211092 Construct density (6.66204s) stopped
T12 >> 1462248839.30642009 Symmetrize density (0.00065s) started
T12 << 1462248839.30648589 Symmetrize density (0.00072s) stopped
T12 << 1462248842.74773788 Density initialize from wavefunctions (127.62761s) stopped
T12 >> 1462248842.74798107 Hamiltonian (535.49275s) started
T12 >> 1462248842.74799800 vbar (0.28257s) started
T12 << 1462248842.78069901 vbar (0.31527s) stopped
T12 >> 1462248842.78093505 XC 3D grid (257.52429s) started
T12 >> 1462248843.25671411 van der Waals (249.09423s) started
T12 >> 1462248843.36768103 semilocal (52.16865s) started
T12 << 1462248849.14187407 semilocal (57.94285s) stopped
T12 >> 1462248849.22636700 redistribute (28.81476s) started
T12 << 1462248850.27170396 redistribute (29.86010s) stopped
T12 >> 1462248850.27176309 libvdwxc nonlocal (166.36983s) started
T12 << 1462248868.64146495 libvdwxc nonlocal (184.73953s) stopped
T12 >> 1462248868.64154792 redistribute (29.86014s) started
T12 << 1462248871.39669800 redistribute (32.61529s) stopped
T12 << 1462248871.39810705 van der Waals (277.23562s) stopped
T12 << 1462248871.85975289 XC 3D grid (286.60311s) stopped
T12 >> 1462248871.85981393 Poisson (168.27142s) started
T12 << 1462248887.54184198 Poisson (183.95344s) stopped
T12 >> 1462248887.54192805 Hartree integrate/restrict (3.32889s) started
T12 << 1462248887.57950401 Hartree integrate/restrict (3.36646s) stopped
T12 >> 1462248887.57963395 Hartree integrate/restrict (3.36655s) started
T12 << 1462248887.90330791 Hartree integrate/restrict (3.69023s) stopped
T12 >> 1462248887.90352201 Atomic (21.11412s) started
T12 >> 1462248887.90545988 XC Correction (0.00038s) started
T12 << 1462248887.90547490 XC Correction (0.00039s) stopped
T12 << 1462248890.22606897 Atomic (23.43667s) stopped
T12 >> 1462248890.22625804 Communicate (84.94179s) started
T12 << 1462248900.57254100 Communicate (95.28807s) stopped
T12 << 1462248900.57257891 Hamiltonian (593.31735s) stopped
T12 << 1462248900.57259297 LCAO WFS Initialize (721.86075s) stopped
T12 << 1462248900.58475089 Initialization (1131.99729s) stopped
T12 >> 1462248900.61072898 SCF-cycle (19724.04377s) started
T12 >> 1462248900.61076808 LCAO eigensolver (9974.74570s) started
T12 >> 1462248900.61078095 Potential matrix (152.96882s) started
T12 << 1462248901.56201196 Potential matrix (153.92005s) stopped
T12 >> 1462248901.56209302 DistributedAtomicCorrection (59.58060s) started
T12 << 1462248901.94098902 DistributedAtomicCorrection (59.95950s) stopped
T12 >> 1462248901.94103694 Distribute overlap matrix (1074.74517s) started
T12 >> 1462248901.94106388 blocked summation (609.32744s) started
T12 << 1462248905.92578411 blocked summation (613.31216s) stopped
T12 >> 1462248905.93564296 Scalapack redistribute (463.85947s) started
T12 << 1462248908.97773910 Scalapack redistribute (466.90156s) stopped
T12 << 1462248908.97785807 Distribute overlap matrix (1081.78199s) stopped
T12 >> 1462248908.98284197 Blacs Orbital Layouts (8414.11653s) started
T12 >> 1462248908.99171090 General diagonalize (8380.47229s) started
T12 << 1462248965.62863111 General diagonalize (8437.10921s) stopped
T12 >> 1462248965.62870789 Redistribute coefs (1.25179s) started
T12 << 1462248965.63679290 Redistribute coefs (1.25988s) stopped
T12 >> 1462248965.63684297 Send coefs to domains (30.98118s) started
T12 << 1462248965.73495007 Send coefs to domains (31.07928s) stopped
T12 << 1462248965.73532200 Blacs Orbital Layouts (8470.86901s) stopped
T12 >> 1462248965.73535204 Calculate projections (272.55729s) started
T12 << 1462248967.44950390 Calculate projections (274.27144s) stopped
T12 << 1462248967.44970798 LCAO eigensolver (10041.58464s) stopped
T12 >> 1462248970.56568193 Density (2441.49123s) started
T12 >> 1462248970.56569695 Pseudo density (1900.04704s) started
T12 >> 1462248970.56810093 Calculate density matrix (1785.65202s) started
T12 << 1462248982.54605794 Calculate density matrix (1797.62997s) stopped
T12 >> 1462248982.54611492 Construct density (111.40998s) started
T12 << 1462248983.28746200 Construct density (112.15133s) stopped
T12 >> 1462248983.30137610 Symmetrize density (0.01261s) started
T12 << 1462248983.30145597 Symmetrize density (0.01269s) stopped
T12 << 1462248983.30352902 Pseudo density (1912.78487s) stopped
T12 >> 1462248983.30359697 Atomic density matrices (474.48562s) started
T12 << 1462248986.47647405 Atomic density matrices (477.65850s) stopped
T12 >> 1462248986.47650909 Multipole moments (1.38754s) started
T12 << 1462248986.48683596 Multipole moments (1.39787s) stopped
T12 >> 1462248986.48686004 Normalize (1.04704s) started
T12 << 1462248986.49299192 Normalize (1.05318s) stopped
T12 >> 1462248986.49305105 Mix (64.51281s) started
T12 << 1462248986.85044599 Mix (64.87020s) stopped
T12 << 1462248986.85051608 Density (2457.77606s) stopped
T12 >> 1462248986.85054708 Hamiltonian (6803.80488s) started
T12 >> 1462248986.85056591 vbar (4.14070s) started
T12 << 1462248986.87827492 vbar (4.16841s) stopped
T12 >> 1462248986.87840509 XC 3D grid (4251.88907s) started
T12 >> 1462248987.37865400 van der Waals (4108.58052s) started
T12 >> 1462248987.49015188 semilocal (865.11123s) started
T12 << 1462248993.33623600 semilocal (870.95732s) stopped
T12 >> 1462248993.41097093 redistribute (439.98543s) started
T12 << 1462248994.35383201 redistribute (440.92829s) stopped
T12 >> 1462248994.35388207 libvdwxc nonlocal (2774.81898s) started
T12 << 1462249012.53587008 libvdwxc nonlocal (2793.00096s) stopped
T12 >> 1462249012.53594589 redistribute (440.92833s) started
T12 << 1462249014.48649812 redistribute (442.87888s) stopped
T12 << 1462249014.48796606 van der Waals (4135.68983s) stopped
T12 << 1462249014.94052792 XC 3D grid (4279.95119s) stopped
T12 >> 1462249014.94057703 Poisson (1072.55694s) started
T12 << 1462249023.45274591 Poisson (1081.06911s) stopped
T12 >> 1462249023.45282698 Hartree integrate/restrict (55.09577s) started
T12 << 1462249023.49063706 Hartree integrate/restrict (55.13358s) stopped
T12 >> 1462249023.49072504 Hartree integrate/restrict (55.13364s) started
T12 << 1462249023.81455708 Hartree integrate/restrict (55.45747s) stopped
T12 >> 1462249023.81472111 Atomic (357.36893s) started
T12 >> 1462249023.81652498 XC Correction (0.00507s) started
T12 << 1462249023.81654000 XC Correction (0.00509s) stopped
T12 << 1462249026.14037490 Atomic (359.69459s) stopped
T12 >> 1462249026.14057207 Communicate (1062.67442s) started
T12 << 1462249035.96280909 Communicate (1072.49666s) stopped
T12 << 1462249035.96285200 Hamiltonian (6852.91718s) stopped
T12 >> 1462249035.96289992 LCAO eigensolver (10041.58466s) started
T12 >> 1462249035.96291494 Potential matrix (153.92010s) started
T12 << 1462249036.92405200 Potential matrix (154.88124s) stopped
T12 >> 1462249036.92413306 DistributedAtomicCorrection (59.95954s) started
T12 << 1462249037.30837011 DistributedAtomicCorrection (60.34377s) stopped
T12 >> 1462249037.30841708 Distribute overlap matrix (1081.78201s) started
T12 >> 1462249037.30844498 blocked summation (613.31220s) started
T12 << 1462249041.19097590 blocked summation (617.19473s) stopped
T12 >> 1462249041.20106506 Scalapack redistribute (466.90163s) started
T12 << 1462249044.11620808 Scalapack redistribute (469.81677s) stopped
T12 << 1462249044.11632299 Distribute overlap matrix (1088.58991s) stopped
T12 >> 1462249044.12093496 Blacs Orbital Layouts (8470.86903s) started
T12 >> 1462249044.13003302 General diagonalize (8437.10927s) started
T12 << 1462249099.04474998 General diagonalize (8492.02399s) stopped
T12 >> 1462249099.04480290 Redistribute coefs (1.25992s) started
T12 << 1462249099.05278397 Redistribute coefs (1.26790s) stopped
T12 >> 1462249099.05283308 Send coefs to domains (31.07932s) started
T12 << 1462249099.15552592 Send coefs to domains (31.18201s) stopped
T12 << 1462249099.15587711 Blacs Orbital Layouts (8525.90397s) stopped
T12 >> 1462249099.15590596 Calculate projections (274.27149s) started
T12 << 1462249100.86980510 Calculate projections (275.98539s) stopped
T12 << 1462249100.87021494 LCAO eigensolver (10106.49198s) stopped
T12 >> 1462249104.01458192 Density (2457.77608s) started
T12 >> 1462249104.01459789 Pseudo density (1912.78492s) started
T12 >> 1462249104.01713109 Calculate density matrix (1797.63001s) started
T12 << 1462249116.99570203 Calculate density matrix (1810.60858s) stopped
T12 >> 1462249116.99575710 Construct density (112.15139s) started
T12 << 1462249117.73701096 Construct density (112.89264s) stopped
T12 >> 1462249117.75089097 Symmetrize density (0.01271s) started
T12 << 1462249117.75097394 Symmetrize density (0.01279s) stopped
T12 << 1462249117.75304103 Pseudo density (1926.52337s) stopped
T12 >> 1462249117.75310898 Atomic density matrices (477.65853s) started
T12 << 1462249120.86551690 Atomic density matrices (480.77094s) stopped
T12 >> 1462249120.86555290 Multipole moments (1.39788s) started
T12 << 1462249120.87528300 Multipole moments (1.40761s) stopped
T12 >> 1462249120.87530708 Normalize (1.05322s) started
T12 << 1462249120.88145208 Normalize (1.05936s) stopped
T12 >> 1462249120.88152003 Mix (64.87027s) started
T12 << 1462249121.31458092 Mix (65.30333s) stopped
T12 << 1462249121.31463408 Density (2475.07613s) stopped
T12 >> 1462249121.31465793 Hamiltonian (6852.91722s) started
T12 >> 1462249121.31467199 vbar (4.16849s) started
T12 << 1462249121.34251595 vbar (4.19634s) stopped
T12 >> 1462249121.34269691 XC 3D grid (4279.95123s) started
T12 >> 1462249121.78599405 van der Waals (4135.68989s) started
T12 >> 1462249121.89851189 semilocal (870.95739s) started
T12 << 1462249127.64629602 semilocal (876.70517s) stopped
T12 >> 1462249127.72681093 redistribute (442.87892s) started
T12 << 1462249128.76068997 redistribute (443.91280s) stopped
T12 >> 1462249128.76073194 libvdwxc nonlocal (2793.00102s) started
T12 << 1462249147.23156595 libvdwxc nonlocal (2811.47186s) stopped
T12 >> 1462249147.23163104 redistribute (443.91283s) started
T12 << 1462249149.04969811 redistribute (445.73090s) stopped
T12 << 1462249149.05114889 van der Waals (4162.95505s) stopped
T12 << 1462249149.50058007 XC 3D grid (4308.10912s) stopped
T12 >> 1462249149.50062799 Poisson (1081.06917s) started
T12 << 1462249163.73612809 Poisson (1095.30467s) stopped
T12 >> 1462249163.73620296 Hartree integrate/restrict (55.45750s) started
T12 << 1462249163.77862406 Hartree integrate/restrict (55.49993s) stopped
T12 >> 1462249163.77866411 Hartree integrate/restrict (55.49995s) started
T12 << 1462249164.09988308 Hartree integrate/restrict (55.82117s) stopped
T12 >> 1462249164.10007906 Atomic (359.69461s) started
T12 >> 1462249164.10185003 XC Correction (0.00510s) started
T12 << 1462249164.10188103 XC Correction (0.00513s) stopped
T12 << 1462249166.44272804 Atomic (362.03726s) stopped
T12 >> 1462249166.44288898 Communicate (1072.49669s) started
T12 << 1462249174.53164101 Communicate (1080.58544s) stopped
T12 << 1462249174.53166604 Hamiltonian (6906.13423s) stopped
T12 >> 1462249174.53168702 LCAO eigensolver (10106.49199s) started
T12 >> 1462249174.53169894 Potential matrix (154.88128s) started
T12 << 1462249175.48514509 Potential matrix (155.83473s) stopped
T12 >> 1462249175.48521495 DistributedAtomicCorrection (60.34381s) started
T12 << 1462249175.85450506 DistributedAtomicCorrection (60.71310s) stopped
T12 >> 1462249175.85455203 Distribute overlap matrix (1088.58993s) started
T12 >> 1462249175.85457611 blocked summation (617.19477s) started
T12 << 1462249179.79244804 blocked summation (621.13264s) stopped
T12 >> 1462249179.80225706 Scalapack redistribute (469.81683s) started
T12 << 1462249182.68486810 Scalapack redistribute (472.69944s) stopped
T12 << 1462249182.68498707 Distribute overlap matrix (1095.42036s) stopped
T12 >> 1462249182.68934393 Blacs Orbital Layouts (8525.90399s) started
T12 >> 1462249182.69844389 General diagonalize (8492.02403s) started
T12 << 1462249233.19257903 General diagonalize (8542.51817s) stopped
T12 >> 1462249233.19262409 Redistribute coefs (1.26793s) started
T12 << 1462249233.20005703 Redistribute coefs (1.27537s) stopped
T12 >> 1462249233.20010900 Send coefs to domains (31.18205s) started
T12 << 1462249233.30053902 Send coefs to domains (31.28248s) stopped
T12 << 1462249233.30098009 Blacs Orbital Layouts (8576.51562s) stopped
T12 >> 1462249233.30100799 Calculate projections (275.98545s) started
T12 << 1462249235.00535607 Calculate projections (277.68980s) stopped
T12 << 1462249235.00572109 LCAO eigensolver (10166.96603s) stopped
T12 >> 1462249238.14796400 Density (2475.07614s) started
T12 >> 1462249238.14797807 Pseudo density (1926.52342s) started
T12 >> 1462249238.15061808 Calculate density matrix (1810.60862s) started
T12 << 1462249250.31623197 Calculate density matrix (1822.77424s) stopped
T12 >> 1462249250.31627989 Construct density (112.89270s) started
T12 << 1462249251.05459499 Construct density (113.63102s) stopped
T12 >> 1462249251.07197309 Symmetrize density (0.01281s) started
T12 << 1462249251.07204008 Symmetrize density (0.01287s) stopped
T12 << 1462249251.07453394 Pseudo density (1939.44997s) stopped
T12 >> 1462249251.07459092 Atomic density matrices (480.77096s) started
T12 << 1462249254.26701093 Atomic density matrices (483.96338s) stopped
T12 >> 1462249254.26704192 Multipole moments (1.40763s) started
T12 << 1462249254.27682710 Multipole moments (1.41741s) stopped
T12 >> 1462249254.27685094 Normalize (1.05941s) started
T12 << 1462249254.28362012 Normalize (1.06618s) stopped
T12 >> 1462249254.28366995 Mix (65.30338s) started
T12 << 1462249254.67840004 Mix (65.69811s) stopped
T12 << 1462249254.67845201 Density (2491.60663s) stopped
T12 >> 1462249254.67847800 Hamiltonian (6906.13424s) started
T12 >> 1462249254.67849302 vbar (4.19644s) started
T12 << 1462249254.70323491 vbar (4.22118s) stopped
T12 >> 1462249254.70338511 XC 3D grid (4308.10916s) started
T12 >> 1462249255.18882108 van der Waals (4162.95508s) started
T12 >> 1462249255.30344892 semilocal (876.70527s) started
T12 << 1462249261.02457905 semilocal (882.42640s) stopped
T12 >> 1462249261.10118508 redistribute (445.73094s) started
T12 << 1462249262.17180705 redistribute (446.80156s) stopped
T12 >> 1462249262.17188191 libvdwxc nonlocal (2811.47191s) started
T12 << 1462249281.16020393 libvdwxc nonlocal (2830.46023s) stopped
T12 >> 1462249281.16026711 redistribute (446.80162s) started
T12 << 1462249282.97750902 redistribute (448.61886s) stopped
T12 << 1462249282.97865701 van der Waals (4190.74492s) stopped
T12 << 1462249283.43336296 XC 3D grid (4336.83913s) stopped
T12 >> 1462249283.43342590 Poisson (1095.30472s) started
T12 << 1462249289.24148011 Poisson (1101.11277s) stopped
T12 >> 1462249289.24159694 Hartree integrate/restrict (55.82122s) started
T12 << 1462249289.28555298 Hartree integrate/restrict (55.86518s) stopped
T12 >> 1462249289.28568912 Hartree integrate/restrict (55.86529s) started
T12 << 1462249289.63688493 Hartree integrate/restrict (56.21648s) stopped
T12 >> 1462249289.63708496 Atomic (362.03728s) started
T12 >> 1462249289.63883305 XC Correction (0.00514s) started
T12 << 1462249289.63885093 XC Correction (0.00516s) stopped
T12 << 1462249291.96675110 Atomic (364.36695s) stopped
T12 >> 1462249291.96689892 Communicate (1080.58546s) started
T12 << 1462249299.81063890 Communicate (1088.42920s) stopped
T12 << 1462249299.81067300 Hamiltonian (6951.26643s) stopped
T12 >> 1462249299.81069493 LCAO eigensolver (10166.96605s) started
T12 >> 1462249299.81070805 Potential matrix (155.83477s) started
T12 << 1462249300.77288198 Potential matrix (156.79694s) stopped
T12 >> 1462249300.77295709 DistributedAtomicCorrection (60.71314s) started
T12 << 1462249301.14814091 DistributedAtomicCorrection (61.08832s) stopped
T12 >> 1462249301.14818692 Distribute overlap matrix (1095.42037s) started
T12 >> 1462249301.14821100 blocked summation (621.13267s) started
T12 << 1462249305.03919506 blocked summation (625.02366s) stopped
T12 >> 1462249305.04941392 Scalapack redistribute (472.69951s) started
T12 << 1462249307.96990609 Scalapack redistribute (475.62000s) stopped
T12 << 1462249307.97000790 Distribute overlap matrix (1102.24219s) stopped
T12 >> 1462249307.97453094 Blacs Orbital Layouts (8576.51564s) started
T12 >> 1462249307.98318505 General diagonalize (8542.51821s) started
T12 << 1462249362.16938496 General diagonalize (8596.70441s) stopped
T12 >> 1462249362.16947508 Redistribute coefs (1.27541s) started
T12 << 1462249362.17842793 Redistribute coefs (1.28436s) stopped
T12 >> 1462249362.17847395 Send coefs to domains (31.28252s) started
T12 << 1462249362.95865607 Send coefs to domains (32.06270s) stopped
T12 << 1462249362.95914602 Blacs Orbital Layouts (8631.50026s) stopped
T12 >> 1462249362.95917511 Calculate projections (277.68985s) started
T12 << 1462249364.67342591 Calculate projections (279.40410s) stopped
T12 << 1462249364.67387509 LCAO eigensolver (10231.82923s) stopped
T12 >> 1462249367.81628609 Density (2491.60664s) started
T12 >> 1462249367.81630206 Pseudo density (1939.45002s) started
T12 >> 1462249367.81892204 Calculate density matrix (1822.77427s) started
T12 << 1462249379.75066900 Calculate density matrix (1834.70602s) stopped
T12 >> 1462249379.75072408 Construct density (113.63107s) started
T12 << 1462249380.49002600 Construct density (114.37037s) stopped
T12 >> 1462249380.50404000 Symmetrize density (0.01289s) started
T12 << 1462249380.50411892 Symmetrize density (0.01297s) stopped
T12 << 1462249380.50630689 Pseudo density (1952.14002s) stopped
T12 >> 1462249380.50637102 Atomic density matrices (483.96341s) started
T12 << 1462249383.65100908 Atomic density matrices (487.10805s) stopped
T12 >> 1462249383.65104508 Multipole moments (1.41743s) started
T12 << 1462249383.66126990 Multipole moments (1.42766s) stopped
T12 >> 1462249383.66129398 Normalize (1.06622s) started
T12 << 1462249383.66755795 Normalize (1.07248s) stopped
T12 >> 1462249383.66762710 Mix (65.69817s) started
T12 << 1462249384.05533099 Mix (66.08587s) stopped
T12 << 1462249384.05538511 Density (2507.84574s) stopped
T12 >> 1462249384.05541110 Hamiltonian (6951.26644s) started
T12 >> 1462249384.05542707 vbar (4.22128s) started
T12 << 1462249384.07771301 vbar (4.24356s) stopped
T12 >> 1462249384.07782197 XC 3D grid (4336.83919s) started
T12 >> 1462249384.58264303 van der Waals (4190.74494s) started
T12 >> 1462249384.69228101 semilocal (882.42650s) started
T12 << 1462249390.46348906 semilocal (888.19770s) stopped
T12 >> 1462249390.54144502 redistribute (448.61890s) started
T12 << 1462249391.53424096 redistribute (449.61170s) stopped
T12 >> 1462249391.53429294 libvdwxc nonlocal (2830.46028s) started
T12 << 1462249409.78632903 libvdwxc nonlocal (2848.71231s) stopped
T12 >> 1462249409.78640699 redistribute (449.61174s) started
T12 << 1462249411.78041697 redistribute (451.60575s) stopped
T12 << 1462249411.78154397 van der Waals (4217.94384s) stopped
T12 << 1462249412.23520088 XC 3D grid (4364.99657s) stopped
T12 >> 1462249412.23527098 Poisson (1101.11286s) started
T12 << 1462249419.40445709 Poisson (1108.28205s) stopped
T12 >> 1462249419.40453410 Hartree integrate/restrict (56.21652s) started
T12 << 1462249419.44247699 Hartree integrate/restrict (56.25446s) stopped
T12 >> 1462249419.44256210 Hartree integrate/restrict (56.25452s) started
T12 << 1462249419.78677607 Hartree integrate/restrict (56.59873s) stopped
T12 >> 1462249419.78702593 Atomic (364.36697s) started
T12 >> 1462249419.78909492 XC Correction (0.00518s) started
T12 << 1462249419.78912997 XC Correction (0.00521s) stopped
T12 << 1462249422.18875408 Atomic (366.76870s) stopped
T12 >> 1462249422.18890595 Communicate (1088.42922s) started
T12 << 1462249429.96045303 Communicate (1096.20077s) stopped
T12 << 1462249429.96049690 Hamiltonian (6997.17153s) stopped
T12 >> 1462249429.96052289 LCAO eigensolver (10231.82925s) started
T12 >> 1462249429.96053696 Potential matrix (156.79699s) started
T12 << 1462249430.91765094 Potential matrix (157.75410s) stopped
T12 >> 1462249430.91773510 DistributedAtomicCorrection (61.08836s) started
T12 << 1462249431.28636789 DistributedAtomicCorrection (61.45699s) stopped
T12 >> 1462249431.28641510 Distribute overlap matrix (1102.24221s) started
T12 >> 1462249431.28644300 blocked summation (625.02369s) started
T12 << 1462249435.18182898 blocked summation (628.91908s) stopped
T12 >> 1462249435.19180393 Scalapack redistribute (475.62005s) started
T12 << 1462249438.11267400 Scalapack redistribute (478.54092s) stopped
T12 << 1462249438.11280894 Distribute overlap matrix (1109.06860s) stopped
T12 >> 1462249438.11730194 Blacs Orbital Layouts (8631.50028s) started
T12 >> 1462249438.12587690 General diagonalize (8596.70448s) started
T12 << 1462249491.80812597 General diagonalize (8650.38673s) stopped
T12 >> 1462249491.80817199 Redistribute coefs (1.28440s) started
T12 << 1462249491.81568408 Redistribute coefs (1.29191s) stopped
T12 >> 1462249491.81572509 Send coefs to domains (32.06274s) started
T12 << 1462249491.92260098 Send coefs to domains (32.16962s) stopped
T12 << 1462249491.92307305 Blacs Orbital Layouts (8685.30605s) stopped
T12 >> 1462249491.92310095 Calculate projections (279.40416s) started
T12 << 1462249493.62831306 Calculate projections (281.10937s) stopped
T12 << 1462249493.62876892 LCAO eigensolver (10295.49749s) stopped
T12 >> 1462249496.75373292 Density (2507.84575s) started
T12 >> 1462249496.75374794 Pseudo density (1952.14008s) started
T12 >> 1462249496.75641990 Calculate density matrix (1834.70605s) started
T12 << 1462249508.72751498 Calculate density matrix (1846.67715s) stopped
T12 >> 1462249508.72756505 Construct density (114.37043s) started
T12 << 1462249509.46666789 Construct density (115.10953s) stopped
T12 >> 1462249509.48266196 Symmetrize density (0.01299s) started
T12 << 1462249509.48273301 Symmetrize density (0.01306s) stopped
T12 << 1462249509.48523498 Pseudo density (1964.87156s) stopped
T12 >> 1462249509.48529100 Atomic density matrices (487.10807s) started
T12 << 1462249512.63508201 Atomic density matrices (490.25786s) stopped
T12 >> 1462249512.63511491 Multipole moments (1.42767s) started
T12 << 1462249512.64543509 Multipole moments (1.43799s) stopped
T12 >> 1462249512.64546299 Normalize (1.07253s) started
T12 << 1462249512.65183496 Normalize (1.07890s) stopped
T12 >> 1462249512.65187693 Mix (66.08592s) started
T12 << 1462249513.07359099 Mix (66.50764s) stopped
T12 << 1462249513.07366204 Density (2524.16568s) stopped
T12 >> 1462249513.07369900 Hamiltonian (6997.17154s) started
T12 >> 1462249513.07372093 vbar (4.24362s) started
T12 << 1462249513.10923505 vbar (4.27914s) stopped
T12 >> 1462249513.10943508 XC 3D grid (4364.99662s) started
T12 >> 1462249513.57076693 van der Waals (4217.94388s) started
T12 >> 1462249513.68743491 semilocal (888.19780s) started
T12 << 1462249519.53511596 semilocal (894.04548s) stopped
T12 >> 1462249519.61068702 redistribute (451.60579s) started
T12 << 1462249520.56705999 redistribute (452.56216s) stopped
T12 >> 1462249520.56710196 libvdwxc nonlocal (2848.71237s) started
T12 << 1462249539.57060599 libvdwxc nonlocal (2867.71588s) stopped
T12 >> 1462249539.57066011 redistribute (452.56219s) started
T12 << 1462249541.23712206 redistribute (454.22866s) stopped
T12 << 1462249541.23815107 van der Waals (4245.61126s) stopped
T12 << 1462249541.69036007 XC 3D grid (4393.57755s) stopped
T12 >> 1462249541.69042110 Poisson (1108.28210s) started
T12 << 1462249548.96125293 Poisson (1115.55294s) stopped
T12 >> 1462249548.96134806 Hartree integrate/restrict (56.59880s) started
T12 << 1462249549.01627803 Hartree integrate/restrict (56.65373s) stopped
T12 >> 1462249549.01633310 Hartree integrate/restrict (56.65376s) started
T12 << 1462249549.32911205 Hartree integrate/restrict (56.96654s) stopped
T12 >> 1462249549.32927608 Atomic (366.76872s) started
T12 >> 1462249549.33085394 XC Correction (0.00522s) started
T12 << 1462249549.33086991 XC Correction (0.00524s) stopped
T12 << 1462249551.69765997 Atomic (369.13711s) stopped
T12 >> 1462249551.69778204 Communicate (1096.20080s) started
T12 << 1462249559.53763199 Communicate (1104.04065s) stopped
T12 << 1462249559.53766894 Hamiltonian (7043.63551s) stopped
T12 >> 1462249559.53769398 LCAO eigensolver (10295.49751s) started
T12 >> 1462249559.53770709 Potential matrix (157.75415s) started
T12 << 1462249560.49858809 Potential matrix (158.71503s) stopped
T12 >> 1462249560.49867201 DistributedAtomicCorrection (61.45703s) started
T12 << 1462249560.86642909 DistributedAtomicCorrection (61.82479s) stopped
T12 >> 1462249560.86647606 Distribute overlap matrix (1109.06862s) started
T12 >> 1462249560.86649990 blocked summation (628.91911s) started
T12 << 1462249564.82943296 blocked summation (632.88205s) stopped
T12 >> 1462249564.83949399 Scalapack redistribute (478.54099s) started
T12 << 1462249567.65745306 Scalapack redistribute (481.35895s) stopped
T12 << 1462249567.65756297 Distribute overlap matrix (1115.85970s) stopped
T12 >> 1462249567.66206002 Blacs Orbital Layouts (8685.30607s) started
T12 >> 1462249567.67062211 General diagonalize (8650.38677s) started
T12 << 1462249621.93395996 General diagonalize (8704.65011s) stopped
T12 >> 1462249621.93400908 Redistribute coefs (1.29194s) started
T12 << 1462249621.94161701 Redistribute coefs (1.29955s) stopped
T12 >> 1462249621.94168305 Send coefs to domains (32.16965s) started
T12 << 1462249622.75588393 Send coefs to domains (32.98385s) stopped
T12 << 1462249622.75629592 Blacs Orbital Layouts (8740.40031s) stopped
T12 >> 1462249622.75632405 Calculate projections (281.10942s) started
T12 << 1462249624.46222591 Calculate projections (282.81532s) stopped
T12 << 1462249624.46257901 LCAO eigensolver (10360.42240s) stopped
T12 >> 1462249627.61304092 Density (2524.16570s) started
T12 >> 1462249627.61305499 Pseudo density (1964.87161s) started
T12 >> 1462249627.61573911 Calculate density matrix (1846.67718s) started
T12 << 1462249639.55476904 Calculate density matrix (1858.61621s) stopped
T12 >> 1462249639.55482006 Construct density (115.10958s) started
T12 << 1462249640.29427791 Construct density (115.84904s) stopped
T12 >> 1462249640.31017089 Symmetrize density (0.01308s) started
T12 << 1462249640.31024098 Symmetrize density (0.01315s) stopped
T12 << 1462249640.31273890 Pseudo density (1977.57129s) stopped
T12 >> 1462249640.31279802 Atomic density matrices (490.25789s) started
T12 << 1462249643.50181389 Atomic density matrices (493.44691s) stopped
T12 >> 1462249643.50184703 Multipole moments (1.43801s) started
T12 << 1462249643.51157093 Multipole moments (1.44773s) stopped
T12 >> 1462249643.51159906 Normalize (1.07893s) started
T12 << 1462249643.51807690 Normalize (1.08541s) stopped
T12 >> 1462249643.51811695 Mix (66.50771s) started
T12 << 1462249643.92790389 Mix (66.91749s) stopped
T12 << 1462249643.92795396 Density (2540.48061s) stopped
T12 >> 1462249643.92797804 Hamiltonian (7043.63552s) started
T12 >> 1462249643.92799091 vbar (4.27926s) started
T12 << 1462249643.94890690 vbar (4.30018s) stopped
T12 >> 1462249643.94899988 XC 3D grid (4393.57760s) started
T12 >> 1462249644.48917603 van der Waals (4245.61128s) started
T12 >> 1462249644.60119200 semilocal (894.04556s) started
T12 << 1462249650.34703302 semilocal (899.79140s) stopped
T12 >> 1462249650.42325091 redistribute (454.22872s) started
T12 << 1462249651.46800900 redistribute (455.27347s) stopped
T12 >> 1462249651.46807194 libvdwxc nonlocal (2867.71592s) started
T12 << 1462249670.11995506 libvdwxc nonlocal (2886.36780s) stopped
T12 >> 1462249670.12001705 redistribute (455.27353s) started
T12 << 1462249671.78429890 redistribute (456.93781s) stopped
T12 << 1462249671.78548288 van der Waals (4272.90759s) stopped
T12 << 1462249672.23502398 XC 3D grid (4421.86362s) stopped
T12 >> 1462249672.23506594 Poisson (1115.55301s) started
T12 << 1462249677.98681498 Poisson (1121.30476s) stopped
T12 >> 1462249677.98687005 Hartree integrate/restrict (56.96657s) started
T12 << 1462249678.03601503 Hartree integrate/restrict (57.01572s) stopped
T12 >> 1462249678.03605294 Hartree integrate/restrict (57.01574s) started
T12 << 1462249678.34973097 Hartree integrate/restrict (57.32942s) stopped
T12 >> 1462249678.34989691 Atomic (369.13713s) started
T12 >> 1462249678.35141301 XC Correction (0.00525s) started
T12 << 1462249678.35142708 XC Correction (0.00527s) stopped
T12 << 1462249680.72158194 Atomic (371.50881s) stopped
T12 >> 1462249680.72168994 Communicate (1104.04067s) started
T12 << 1462249688.53724408 Communicate (1111.85622s) stopped
T12 << 1462249688.53728008 Hamiltonian (7088.24483s) stopped
T12 >> 1462249688.53730512 LCAO eigensolver (10360.42242s) started
T12 >> 1462249688.53731799 Potential matrix (158.71508s) started
T12 << 1462249689.48444200 Potential matrix (159.66221s) stopped
T12 >> 1462249689.48452902 DistributedAtomicCorrection (61.82483s) started
T12 << 1462249689.85193205 DistributedAtomicCorrection (62.19223s) stopped
T12 >> 1462249689.85197806 Distribute overlap matrix (1115.85972s) started
T12 >> 1462249689.85200310 blocked summation (632.88208s) started
T12 << 1462249693.78312707 blocked summation (636.81320s) stopped
T12 >> 1462249693.79249310 Scalapack redistribute (481.35901s) started
T12 << 1462249696.71224499 Scalapack redistribute (484.27876s) stopped
T12 << 1462249696.71236110 Distribute overlap matrix (1122.72010s) stopped
T12 >> 1462249696.71694589 Blacs Orbital Layouts (8740.40033s) started
T12 >> 1462249696.72545290 General diagonalize (8704.65015s) started
T12 << 1462249750.59770393 General diagonalize (8758.52240s) stopped
T12 >> 1462249750.59774899 Redistribute coefs (1.29960s) started
T12 << 1462249750.60541391 Redistribute coefs (1.30727s) stopped
T12 >> 1462249750.60545993 Send coefs to domains (32.98388s) started
T12 << 1462249750.96453595 Send coefs to domains (33.34296s) stopped
T12 << 1462249750.96507692 Blacs Orbital Layouts (8794.64846s) stopped
T12 >> 1462249750.96510410 Calculate projections (282.81537s) started
T12 << 1462249752.67127609 Calculate projections (284.52154s) stopped
T12 << 1462249752.67146111 LCAO eigensolver (10424.55657s) stopped
T12 >> 1462249755.80703712 Density (2540.48063s) started
T12 >> 1462249755.80705190 Pseudo density (1977.57134s) started
T12 >> 1462249755.80975008 Calculate density matrix (1858.61625s) started
T12 << 1462249767.70502400 Calculate density matrix (1870.51152s) stopped
T12 >> 1462249767.70507193 Construct density (115.84909s) started
T12 << 1462249768.44425106 Construct density (116.58827s) stopped
T12 >> 1462249768.46002197 Symmetrize density (0.01316s) started
T12 << 1462249768.46008992 Symmetrize density (0.01323s) stopped
T12 << 1462249768.46257806 Pseudo density (1990.22686s) stopped
T12 >> 1462249768.46263289 Atomic density matrices (493.44693s) started
T12 << 1462249771.74993300 Atomic density matrices (496.73423s) stopped
T12 >> 1462249771.74996710 Multipole moments (1.44775s) started
T12 << 1462249771.76029992 Multipole moments (1.45808s) stopped
T12 >> 1462249771.76032710 Normalize (1.08544s) started
T12 << 1462249771.76697707 Normalize (1.09209s) stopped
T12 >> 1462249771.76702094 Mix (66.91754s) started
T12 << 1462249772.24362493 Mix (67.39415s) stopped
T12 << 1462249772.24367690 Density (2556.91727s) stopped
T12 >> 1462249772.24373007 Hamiltonian (7088.24484s) started
T12 >> 1462249772.24374604 vbar (4.30023s) started
T12 << 1462249772.27166200 vbar (4.32815s) stopped
T12 >> 1462249772.27181005 XC 3D grid (4421.86366s) started
T12 >> 1462249772.75255489 van der Waals (4272.90761s) started
T12 >> 1462249772.86945105 semilocal (899.79148s) started
T12 << 1462249778.71250200 semilocal (905.63453s) stopped
T12 >> 1462249778.79215288 redistribute (456.93786s) started
T12 << 1462249779.72154808 redistribute (457.86726s) stopped
T12 >> 1462249779.72159410 libvdwxc nonlocal (2886.36785s) started
T12 << 1462249797.90248704 libvdwxc nonlocal (2904.54874s) stopped
T12 >> 1462249797.90254807 redistribute (457.86729s) started
T12 << 1462249799.56574988 redistribute (459.53050s) stopped
T12 << 1462249799.56708193 van der Waals (4299.72214s) stopped
T12 << 1462249800.01714706 XC 3D grid (4449.60899s) stopped
T12 >> 1462249800.01718807 Poisson (1121.30480s) started
T12 << 1462249805.71194196 Poisson (1126.99955s) stopped
T12 >> 1462249805.71200800 Hartree integrate/restrict (57.32945s) started
T12 << 1462249805.75631499 Hartree integrate/restrict (57.37376s) stopped
T12 >> 1462249805.75635695 Hartree integrate/restrict (57.37378s) started
T12 << 1462249806.06873202 Hartree integrate/restrict (57.68616s) stopped
T12 >> 1462249806.06888890 Atomic (371.50884s) started
T12 >> 1462249806.07039189 XC Correction (0.00528s) started
T12 << 1462249806.07040596 XC Correction (0.00529s) stopped
T12 << 1462249808.44337296 Atomic (373.88332s) stopped
T12 >> 1462249808.44346595 Communicate (1111.85625s) started
T12 << 1462249816.27877998 Communicate (1119.69156s) stopped
T12 << 1462249816.27880692 Hamiltonian (7132.27991s) stopped
T12 >> 1462249816.27882791 LCAO eigensolver (10424.55659s) started
T12 >> 1462249816.27884102 Potential matrix (159.66226s) started
T12 << 1462249817.22939610 Potential matrix (160.61281s) stopped
T12 >> 1462249817.22946501 DistributedAtomicCorrection (62.19227s) started
T12 << 1462249817.59591007 DistributedAtomicCorrection (62.55871s) stopped
T12 >> 1462249817.59595704 Distribute overlap matrix (1122.72011s) started
T12 >> 1462249817.59597993 blocked summation (636.81324s) started
T12 << 1462249821.47036505 blocked summation (640.68762s) stopped
T12 >> 1462249821.47995996 Scalapack redistribute (484.27883s) started
T12 << 1462249824.46094990 Scalapack redistribute (487.25982s) stopped
T12 << 1462249824.46106696 Distribute overlap matrix (1129.58522s) stopped
T12 >> 1462249824.46550798 Blacs Orbital Layouts (8794.64848s) started
T12 >> 1462249824.47393703 General diagonalize (8758.52243s) started
T12 << 1462249878.25328207 General diagonalize (8812.30178s) stopped
T12 >> 1462249878.25332499 Redistribute coefs (1.30730s) started
T12 << 1462249878.26083493 Redistribute coefs (1.31481s) stopped
T12 >> 1462249878.26090407 Send coefs to domains (33.34299s) started
T12 << 1462249878.40017295 Send coefs to domains (33.48226s) stopped
T12 << 1462249878.40063596 Blacs Orbital Layouts (8848.58360s) stopped
T12 >> 1462249878.40066409 Calculate projections (284.52159s) started
T12 << 1462249880.10591006 Calculate projections (286.22684s) stopped
T12 << 1462249880.10609889 LCAO eigensolver (10488.38386s) stopped
T12 >> 1462249883.23905802 Density (2556.91731s) started
T12 >> 1462249883.23907208 Pseudo density (1990.22691s) started
T12 >> 1462249883.24160099 Calculate density matrix (1870.51155s) started
T12 << 1462249895.17368698 Calculate density matrix (1882.44364s) stopped
T12 >> 1462249895.17373395 Construct density (116.58832s) started
T12 << 1462249895.91238189 Construct density (117.32697s) stopped
T12 >> 1462249895.92827106 Symmetrize density (0.01325s) started
T12 << 1462249895.92834091 Symmetrize density (0.01332s) stopped
T12 << 1462249895.93083906 Pseudo density (2002.91868s) stopped
T12 >> 1462249895.93089199 Atomic density matrices (496.73426s) started
T12 << 1462249899.14405704 Atomic density matrices (499.94742s) stopped
T12 >> 1462249899.14408994 Multipole moments (1.45810s) started
T12 << 1462249899.15385509 Multipole moments (1.46786s) stopped
T12 >> 1462249899.15388298 Normalize (1.09212s) started
T12 << 1462249899.16055703 Normalize (1.09880s) stopped
T12 >> 1462249899.16059709 Mix (67.39420s) started
T12 << 1462249899.60199594 Mix (67.83560s) stopped
T12 << 1462249899.60202503 Density (2573.28027s) stopped
T12 >> 1462249899.60205007 Hamiltonian (7132.27993s) started
T12 >> 1462249899.60206294 vbar (4.32823s) started
T12 << 1462249899.62489295 vbar (4.35106s) stopped
T12 >> 1462249899.62503409 XC 3D grid (4449.60903s) started
T12 >> 1462249900.19874811 van der Waals (4299.72217s) started
T12 >> 1462249900.30931997 semilocal (905.63456s) started
T12 << 1462249906.10526800 semilocal (911.43051s) stopped
T12 >> 1462249906.18011594 redistribute (459.53054s) started
T12 << 1462249907.18427706 redistribute (460.53470s) stopped
T12 >> 1462249907.18431807 libvdwxc nonlocal (2904.54879s) started
T12 << 1462249926.10705996 libvdwxc nonlocal (2923.47153s) stopped
T12 >> 1462249926.10712409 redistribute (460.53473s) started
T12 << 1462249927.77486205 redistribute (462.20247s) stopped
T12 << 1462249927.77612710 van der Waals (4327.29955s) stopped
T12 << 1462249928.23934293 XC 3D grid (4478.22334s) stopped
T12 >> 1462249928.23938799 Poisson (1126.99960s) started
T12 << 1462249932.65899801 Poisson (1131.41921s) stopped
T12 >> 1462249932.65905595 Hartree integrate/restrict (57.68619s) started
T12 << 1462249932.71523690 Hartree integrate/restrict (57.74237s) stopped
T12 >> 1462249932.71529293 Hartree integrate/restrict (57.74240s) started
T12 << 1462249933.02758288 Hartree integrate/restrict (58.05469s) stopped
T12 >> 1462249933.02776194 Atomic (373.88334s) started
T12 >> 1462249933.02937794 XC Correction (0.00530s) started
T12 << 1462249933.02939200 XC Correction (0.00532s) stopped
T12 << 1462249935.40884089 Atomic (376.26442s) stopped
T12 >> 1462249935.40892410 Communicate (1119.69158s) started
T12 << 1462249943.17549610 Communicate (1127.45815s) stopped
T12 << 1462249943.17553091 Hamiltonian (7175.85341s) stopped
T12 >> 1462249943.17555499 LCAO eigensolver (10488.38388s) started
T12 >> 1462249943.17556810 Potential matrix (160.61285s) started
T12 << 1462249944.11837196 Potential matrix (161.55566s) stopped
T12 >> 1462249944.11845708 DistributedAtomicCorrection (62.55875s) started
T12 << 1462249944.48847604 DistributedAtomicCorrection (62.92877s) stopped
T12 >> 1462249944.48852301 Distribute overlap matrix (1129.58523s) started
T12 >> 1462249944.48854709 blocked summation (640.68765s) started
T12 << 1462249948.45471001 blocked summation (644.65382s) stopped
T12 >> 1462249948.46438098 Scalapack redistribute (487.25988s) started
T12 << 1462249951.35331702 Scalapack redistribute (490.14882s) stopped
T12 << 1462249951.35342598 Distribute overlap matrix (1136.45014s) stopped
T12 >> 1462249951.35776591 Blacs Orbital Layouts (8848.58362s) started
T12 >> 1462249951.36637402 General diagonalize (8812.30182s) started
T12 << 1462250002.70313811 General diagonalize (8863.63858s) stopped
T12 >> 1462250002.70318508 Redistribute coefs (1.31487s) started
T12 << 1462250002.71059108 Redistribute coefs (1.32227s) stopped
T12 >> 1462250002.71068001 Send coefs to domains (33.48230s) started
T12 << 1462250002.80622911 Send coefs to domains (33.57785s) stopped
T12 << 1462250002.80667591 Blacs Orbital Layouts (8900.03253s) stopped
T12 >> 1462250002.80670309 Calculate projections (286.22689s) started
T12 << 1462250004.51154900 Calculate projections (287.93174s) stopped
T12 << 1462250004.51173997 LCAO eigensolver (10549.72007s) stopped
T12 >> 1462250009.82419896 Density (2573.28029s) started
T12 >> 1462250009.82421303 Pseudo density (2002.91872s) started
T12 >> 1462250009.82885695 Calculate density matrix (1882.44367s) started
T12 << 1462250019.63439393 Calculate density matrix (1892.24921s) stopped
T12 >> 1462250019.63444209 Construct density (117.32702s) started
T12 << 1462250020.37389994 Construct density (118.06647s) stopped
T12 >> 1462250020.39048910 Symmetrize density (0.01333s) started
T12 << 1462250020.39055610 Symmetrize density (0.01340s) stopped
T12 << 1462250020.39306593 Pseudo density (2013.48757s) stopped
T12 >> 1462250020.39312196 Atomic density matrices (499.94745s) started
T12 << 1462250023.54378891 Atomic density matrices (503.09811s) stopped
T12 >> 1462250023.54382205 Multipole moments (1.46788s) started
T12 << 1462250023.55367804 Multipole moments (1.47773s) stopped
T12 >> 1462250023.55370593 Normalize (1.09882s) started
T12 << 1462250023.56120205 Normalize (1.10632s) stopped
T12 >> 1462250023.56125093 Mix (67.83563s) started
T12 << 1462250023.98391199 Mix (68.25829s) stopped
T12 << 1462250023.98395610 Density (2587.44005s) stopped
T12 >> 1462250023.98398209 Hamiltonian (7175.85342s) started
T12 >> 1462250023.98399591 vbar (4.35114s) started
T12 << 1462250024.02135301 vbar (4.38850s) stopped
T12 >> 1462250024.02152896 XC 3D grid (4478.22337s) started
T12 >> 1462250024.49786806 van der Waals (4327.29958s) started
T12 >> 1462250024.61162901 semilocal (911.43058s) started
T12 << 1462250030.41632009 semilocal (917.23527s) stopped
T12 >> 1462250030.49961090 redistribute (462.20250s) started
T12 << 1462250031.48471189 redistribute (463.18761s) stopped
T12 >> 1462250031.48475409 libvdwxc nonlocal (2923.47158s) started
T12 << 1462250050.49749303 libvdwxc nonlocal (2942.48432s) stopped
T12 >> 1462250050.49754000 redistribute (463.18764s) started
T12 << 1462250052.14120007 redistribute (464.83130s) stopped
T12 << 1462250052.14241004 van der Waals (4354.94412s) stopped
T12 << 1462250052.59670711 XC 3D grid (4506.79855s) stopped
T12 >> 1462250052.59676600 Poisson (1131.41926s) started
T12 << 1462250057.02313709 Poisson (1135.84563s) stopped
T12 >> 1462250057.02319407 Hartree integrate/restrict (58.05473s) started
T12 << 1462250057.07871795 Hartree integrate/restrict (58.11026s) stopped
T12 >> 1462250057.07875705 Hartree integrate/restrict (58.11028s) started
T12 << 1462250057.39161992 Hartree integrate/restrict (58.42315s) stopped
T12 >> 1462250057.39177203 Atomic (376.26444s) started
T12 >> 1462250057.39329910 XC Correction (0.00533s) started
T12 << 1462250057.39331388 XC Correction (0.00534s) stopped
T12 << 1462250059.77260399 Atomic (378.64527s) stopped
T12 >> 1462250059.77268600 Communicate (1127.45817s) started
T12 << 1462250067.56642199 Communicate (1135.25191s) stopped
T12 << 1462250067.56645989 Hamiltonian (7219.43590s) stopped
T12 >> 1462250067.56648493 LCAO eigensolver (10549.72008s) started
T12 >> 1462250067.56649804 Potential matrix (161.55571s) started
T12 << 1462250068.52020001 Potential matrix (162.50941s) stopped
T12 >> 1462250068.52027392 DistributedAtomicCorrection (62.92881s) started
T12 << 1462250068.89476299 DistributedAtomicCorrection (63.30330s) stopped
T12 >> 1462250068.89481401 Distribute overlap matrix (1136.45015s) started
T12 >> 1462250068.89483905 blocked summation (644.65385s) started
T12 << 1462250072.79849601 blocked summation (648.55750s) stopped
T12 >> 1462250072.80800891 Scalapack redistribute (490.14888s) started
T12 << 1462250075.72142100 Scalapack redistribute (493.06229s) stopped
T12 << 1462250075.72153711 Distribute overlap matrix (1143.27687s) stopped
T12 >> 1462250075.72585011 Blacs Orbital Layouts (8900.03255s) started
T12 >> 1462250075.73424697 General diagonalize (8863.63862s) started
T12 << 1462250127.13571811 General diagonalize (8915.04009s) stopped
T12 >> 1462250127.13576198 Redistribute coefs (1.32234s) started
T12 << 1462250127.14308095 Redistribute coefs (1.32966s) stopped
T12 >> 1462250127.14315391 Send coefs to domains (33.57788s) started
T12 << 1462250127.64395809 Send coefs to domains (34.07868s) stopped
T12 << 1462250127.64450693 Blacs Orbital Layouts (8951.95121s) stopped
T12 >> 1462250127.64453411 Calculate projections (287.93179s) started
T12 << 1462250129.34980106 Calculate projections (289.63706s) stopped
T12 << 1462250129.34998298 LCAO eigensolver (10611.50358s) stopped
T12 >> 1462250132.48396111 Density (2587.44006s) started
T12 >> 1462250132.48397589 Pseudo density (2013.48762s) started
T12 >> 1462250132.48651505 Calculate density matrix (1892.24924s) started
T12 << 1462250144.42397594 Calculate density matrix (1904.18670s) stopped
T12 >> 1462250144.42402291 Construct density (118.06652s) started
T12 << 1462250145.16319799 Construct density (118.80570s) stopped
T12 >> 1462250145.17951989 Symmetrize density (0.01344s) started
T12 << 1462250145.17958808 Symmetrize density (0.01350s) stopped
T12 << 1462250145.18209791 Pseudo density (2026.18574s) stopped
T12 >> 1462250145.18215299 Atomic density matrices (503.09814s) started
T12 << 1462250148.38182902 Atomic density matrices (506.29782s) stopped
T12 >> 1462250148.38186193 Multipole moments (1.47775s) started
T12 << 1462250148.39211607 Multipole moments (1.48800s) stopped
T12 >> 1462250148.39214396 Normalize (1.10635s) started
T12 << 1462250148.39889598 Normalize (1.11311s) stopped
T12 >> 1462250148.39894009 Mix (68.25833s) started
T12 << 1462250148.97113609 Mix (68.83053s) stopped
T12 << 1462250148.97118497 Density (2603.92728s) stopped
T12 >> 1462250148.97121191 Hamiltonian (7219.43591s) started
T12 >> 1462250148.97122693 vbar (4.38861s) started
T12 << 1462250148.99451995 vbar (4.41190s) stopped
T12 >> 1462250148.99462008 XC 3D grid (4506.79860s) started
T12 >> 1462250149.45304990 van der Waals (4354.94417s) started
T12 >> 1462250149.56789303 semilocal (917.23535s) started
T12 << 1462250155.30626392 semilocal (922.97372s) stopped
T12 >> 1462250155.37610412 redistribute (464.83134s) started
T12 << 1462250156.38907290 redistribute (465.84431s) stopped
T12 >> 1462250156.38911605 libvdwxc nonlocal (2942.48435s) started
T12 << 1462250175.35106301 libvdwxc nonlocal (2961.44630s) stopped
T12 >> 1462250175.35110688 redistribute (465.84434s) started
T12 << 1462250177.08317208 redistribute (467.57641s) stopped
T12 << 1462250177.08411193 van der Waals (4382.57523s) stopped
T12 << 1462250177.53834701 XC 3D grid (4535.34233s) stopped
T12 >> 1462250177.53840494 Poisson (1135.84567s) started
T12 << 1462250181.95703912 Poisson (1140.26431s) stopped
T12 >> 1462250181.95711994 Hartree integrate/restrict (58.42318s) started
T12 << 1462250182.01236892 Hartree integrate/restrict (58.47843s) stopped
T12 >> 1462250182.01241302 Hartree integrate/restrict (58.47845s) started
T12 << 1462250182.32132101 Hartree integrate/restrict (58.78736s) stopped
T12 >> 1462250182.32147408 Atomic (378.64530s) started
T12 >> 1462250182.32295704 XC Correction (0.00535s) started
T12 << 1462250182.32297206 XC Correction (0.00536s) stopped
T12 << 1462250184.69774699 Atomic (381.02157s) stopped
T12 >> 1462250184.69783211 Communicate (1135.25193s) started
T12 << 1462250192.51168990 Communicate (1143.06579s) stopped
T12 << 1462250192.51172495 Hamiltonian (7262.97642s) stopped
T12 >> 1462250192.51174808 LCAO eigensolver (10611.50360s) started
T12 >> 1462250192.51176095 Potential matrix (162.50946s) started
T12 << 1462250193.45854306 Potential matrix (163.45624s) stopped
T12 >> 1462250193.45863008 DistributedAtomicCorrection (63.30334s) started
T12 << 1462250193.83407807 DistributedAtomicCorrection (63.67879s) stopped
T12 >> 1462250193.83412504 Distribute overlap matrix (1143.27689s) started
T12 >> 1462250193.83414888 blocked summation (648.55753s) started
T12 << 1462250197.78008294 blocked summation (652.50347s) stopped
T12 >> 1462250197.78908300 Scalapack redistribute (493.06235s) started
T12 << 1462250200.68030500 Scalapack redistribute (495.95358s) stopped
T12 << 1462250200.68041611 Distribute overlap matrix (1150.12318s) stopped
T12 >> 1462250200.68499708 Blacs Orbital Layouts (8951.95123s) started
T12 >> 1462250200.69385791 General diagonalize (8915.04013s) started
T12 << 1462250251.38683295 General diagonalize (8965.73310s) stopped
T12 >> 1462250251.38687801 Redistribute coefs (1.32972s) started
T12 << 1462250251.39422107 Redistribute coefs (1.33706s) stopped
T12 >> 1462250251.39427710 Send coefs to domains (34.07871s) started
T12 << 1462250251.62294698 Send coefs to domains (34.30738s) stopped
T12 << 1462250251.62353396 Blacs Orbital Layouts (9002.88976s) stopped
T12 >> 1462250251.62356210 Calculate projections (289.63711s) started
T12 << 1462250253.32765293 Calculate projections (291.34120s) stopped
T12 << 1462250253.32786489 LCAO eigensolver (10672.31972s) stopped
T12 >> 1462250256.46297503 Density (2603.92730s) started
T12 >> 1462250256.46298909 Pseudo density (2026.18578s) started
T12 >> 1462250256.46574998 Calculate density matrix (1904.18673s) started
T12 << 1462250268.38861990 Calculate density matrix (1916.10960s) stopped
T12 >> 1462250268.38866591 Construct density (118.80575s) started
T12 << 1462250269.12741494 Construct density (119.54450s) stopped
T12 >> 1462250269.14421391 Symmetrize density (0.01352s) started
T12 << 1462250269.14427996 Symmetrize density (0.01359s) stopped
T12 << 1462250269.14676690 Pseudo density (2038.86956s) stopped
T12 >> 1462250269.14682388 Atomic density matrices (506.29784s) started
T12 << 1462250272.30903602 Atomic density matrices (509.46005s) stopped
T12 >> 1462250272.30906796 Multipole moments (1.48802s) started
T12 << 1462250272.31930089 Multipole moments (1.49825s) stopped
T12 >> 1462250272.31932807 Normalize (1.11314s) started
T12 << 1462250272.32604098 Normalize (1.11985s) stopped
T12 >> 1462250272.32608509 Mix (68.83058s) started
T12 << 1462250272.74614501 Mix (69.25064s) stopped
T12 << 1462250272.74617696 Density (2620.21050s) stopped
T12 >> 1462250272.74620104 Hamiltonian (7262.97643s) started
T12 >> 1462250272.74621511 vbar (4.41196s) started
T12 << 1462250272.77872896 vbar (4.44447s) stopped
T12 >> 1462250272.77887988 XC 3D grid (4535.34237s) started
T12 >> 1462250273.26533794 van der Waals (4382.57526s) started
T12 >> 1462250273.37866211 semilocal (922.97380s) started
T12 << 1462250279.18398905 semilocal (928.77912s) stopped
T12 >> 1462250279.26491308 redistribute (467.57644s) started
T12 << 1462250280.23583603 redistribute (468.54736s) stopped
T12 >> 1462250280.23588204 libvdwxc nonlocal (2961.44633s) started
T12 << 1462250298.77307296 libvdwxc nonlocal (2979.98352s) stopped
T12 >> 1462250298.77313590 redistribute (468.54740s) started
T12 << 1462250300.48748899 redistribute (470.26175s) stopped
T12 << 1462250300.48881698 van der Waals (4409.79873s) stopped
T12 << 1462250300.94501805 XC 3D grid (4563.50851s) stopped
T12 >> 1462250300.94505692 Poisson (1140.26437s) started
T12 << 1462250305.29938006 Poisson (1144.61869s) stopped
T12 >> 1462250305.29944706 Hartree integrate/restrict (58.78739s) started
T12 << 1462250305.34845591 Hartree integrate/restrict (58.83640s) stopped
T12 >> 1462250305.34850001 Hartree integrate/restrict (58.83643s) started
T12 << 1462250305.66122198 Hartree integrate/restrict (59.14915s) stopped
T12 >> 1462250305.66138005 Atomic (381.02159s) started
T12 >> 1462250305.66292500 XC Correction (0.00538s) started
T12 << 1462250305.66294098 XC Correction (0.00539s) stopped
T12 << 1462250308.03628397 Atomic (383.39650s) stopped
T12 >> 1462250308.03636789 Communicate (1143.06581s) started
T12 << 1462250315.83583903 Communicate (1150.86528s) stopped
T12 << 1462250315.83586907 Hamiltonian (7306.06610s) stopped
T12 >> 1462250315.83589101 LCAO eigensolver (10672.31974s) started
T12 >> 1462250315.83590388 Potential matrix (163.45629s) started
T12 << 1462250316.78726411 Potential matrix (164.40765s) stopped
T12 >> 1462250316.78733492 DistributedAtomicCorrection (63.67883s) started
T12 << 1462250317.15783191 DistributedAtomicCorrection (64.04933s) stopped
T12 >> 1462250317.15787911 Distribute overlap matrix (1150.12319s) started
T12 >> 1462250317.15790200 blocked summation (652.50350s) started
T12 << 1462250321.05417991 blocked summation (656.39978s) stopped
T12 >> 1462250321.06366992 Scalapack redistribute (495.95364s) started
T12 << 1462250324.03202510 Scalapack redistribute (498.92199s) stopped
T12 << 1462250324.03213692 Distribute overlap matrix (1156.99745s) stopped
T12 >> 1462250324.03655291 Blacs Orbital Layouts (9002.88978s) started
T12 >> 1462250324.04485989 General diagonalize (8965.73314s) started
T12 << 1462250377.57264400 General diagonalize (9019.26092s) stopped
T12 >> 1462250377.57269001 Redistribute coefs (1.33711s) started
T12 << 1462250377.57986808 Redistribute coefs (1.34429s) stopped
T12 >> 1462250377.57993698 Send coefs to domains (34.30742s) started
T12 << 1462250377.74315810 Send coefs to domains (34.47064s) stopped
T12 << 1462250377.74351501 Blacs Orbital Layouts (9056.59675s) stopped
T12 >> 1462250377.74354196 Calculate projections (291.34127s) started
T12 << 1462250379.44817710 Calculate projections (293.04590s) stopped
T12 << 1462250379.44836211 LCAO eigensolver (10735.93221s) stopped
T12 >> 1462250382.58210111 Density (2620.21051s) started
T12 >> 1462250382.58211589 Pseudo density (2038.86961s) started
T12 >> 1462250382.58493996 Calculate density matrix (1916.10963s) started
T12 << 1462250394.57370996 Calculate density matrix (1928.09840s) stopped
T12 >> 1462250394.57375789 Construct density (119.54455s) started
T12 << 1462250395.31320596 Construct density (120.28400s) stopped
T12 >> 1462250395.33108807 Symmetrize density (0.01360s) started
T12 << 1462250395.33115196 Symmetrize density (0.01367s) stopped
T12 << 1462250395.33363509 Pseudo density (2051.62112s) stopped
T12 >> 1462250395.33368802 Atomic density matrices (509.46008s) started
T12 << 1462250398.52144194 Atomic density matrices (512.64783s) stopped
T12 >> 1462250398.52147388 Multipole moments (1.49827s) started
T12 << 1462250398.53141093 Multipole moments (1.50820s) stopped
T12 >> 1462250398.53144002 Normalize (1.11988s) started
T12 << 1462250398.53808904 Normalize (1.12653s) stopped
T12 >> 1462250398.53813004 Mix (69.25067s) started
T12 << 1462250398.95935512 Mix (69.67189s) stopped
T12 << 1462250398.95938396 Density (2636.58779s) stopped
T12 >> 1462250398.95940804 Hamiltonian (7306.06611s) started
T12 >> 1462250398.95942211 vbar (4.44456s) started
T12 << 1462250398.99072099 vbar (4.47586s) stopped
T12 >> 1462250398.99080801 XC 3D grid (4563.50854s) started
T12 >> 1462250399.47517800 van der Waals (4409.79877s) started
T12 >> 1462250399.58858109 semilocal (928.77919s) started
T12 << 1462250405.39258194 semilocal (934.58319s) stopped
T12 >> 1462250405.47132397 redistribute (470.26179s) started
T12 << 1462250406.41962790 redistribute (471.21009s) stopped
T12 >> 1462250406.41967392 libvdwxc nonlocal (2979.98357s) started
T12 << 1462250425.43520498 libvdwxc nonlocal (2998.99910s) stopped
T12 >> 1462250425.43527198 redistribute (471.21013s) started
T12 << 1462250427.12834311 redistribute (472.90320s) stopped
T12 << 1462250427.12919807 van der Waals (4437.45279s) stopped
T12 << 1462250427.58475709 XC 3D grid (4592.10249s) stopped
T12 >> 1462250427.58480310 Poisson (1144.61874s) started
T12 << 1462250432.01157999 Poisson (1149.04552s) stopped
T12 >> 1462250432.01164007 Hartree integrate/restrict (59.14918s) started
T12 << 1462250432.06659389 Hartree integrate/restrict (59.20413s) stopped
T12 >> 1462250432.06663895 Hartree integrate/restrict (59.20416s) started
T12 << 1462250432.37920904 Hartree integrate/restrict (59.51673s) stopped
T12 >> 1462250432.37936997 Atomic (383.39652s) started
T12 >> 1462250432.38087010 XC Correction (0.00540s) started
T12 << 1462250432.38088393 XC Correction (0.00542s) stopped
T12 << 1462250434.75370789 Atomic (385.77086s) stopped
T12 >> 1462250434.75379491 Communicate (1150.86530s) started
T12 << 1462250442.54986906 Communicate (1158.66138s) stopped
T12 << 1462250442.54990602 Hamiltonian (7349.65661s) stopped
T12 >> 1462250442.54993010 LCAO eigensolver (10735.93223s) started
T12 >> 1462250442.54994297 Potential matrix (164.40769s) started
T12 << 1462250443.49840498 Potential matrix (165.35615s) stopped
T12 >> 1462250443.49847388 DistributedAtomicCorrection (64.04937s) started
T12 << 1462250443.86546397 DistributedAtomicCorrection (64.41636s) stopped
T12 >> 1462250443.86550999 Distribute overlap matrix (1156.99746s) started
T12 >> 1462250443.86553311 blocked summation (656.39981s) started
T12 << 1462250447.77168894 blocked summation (660.30596s) stopped
T12 >> 1462250447.78107405 Scalapack redistribute (498.92206s) started
T12 << 1462250450.83584404 Scalapack redistribute (501.97683s) stopped
T12 << 1462250450.83592200 Distribute overlap matrix (1163.96787s) stopped
T12 >> 1462250450.84044909 Blacs Orbital Layouts (9056.59676s) started
T12 >> 1462250450.84922791 General diagonalize (9019.26096s) started
T12 << 1462250504.64871192 General diagonalize (9073.06044s) stopped
T12 >> 1462250504.64875603 Redistribute coefs (1.34434s) started
T12 << 1462250504.65642691 Redistribute coefs (1.35201s) stopped
T12 >> 1462250504.65646696 Send coefs to domains (34.47067s) started
T12 << 1462250504.81188703 Send coefs to domains (34.62609s) stopped
T12 << 1462250504.81228995 Blacs Orbital Layouts (9110.56861s) stopped
T12 >> 1462250504.81231904 Calculate projections (293.04595s) started
T12 << 1462250506.51922107 Calculate projections (294.75286s) stopped
T12 << 1462250506.51940799 LCAO eigensolver (10799.90170s) stopped
T12 >> 1462250509.67237091 Density (2636.58781s) started
T12 >> 1462250509.67238498 Pseudo density (2051.62117s) started
T12 >> 1462250509.67521000 Calculate density matrix (1928.09843s) started
T12 << 1462250522.25410604 Calculate density matrix (1940.67733s) stopped
T12 >> 1462250522.25415397 Construct density (120.28405s) started
T12 << 1462250522.99544001 Construct density (121.02533s) stopped
T12 >> 1462250523.01248193 Symmetrize density (0.01368s) started
T12 << 1462250523.01255012 Symmetrize density (0.01375s) stopped
T12 << 1462250523.01505995 Pseudo density (2064.96384s) stopped
T12 >> 1462250523.01511598 Atomic density matrices (512.64785s) started
T12 << 1462250526.26539493 Atomic density matrices (515.89813s) stopped
T12 >> 1462250526.26542807 Multipole moments (1.50822s) started
T12 << 1462250526.27524400 Multipole moments (1.51804s) stopped
T12 >> 1462250526.27527189 Normalize (1.12656s) started
T12 << 1462250526.28184104 Normalize (1.13313s) stopped
T12 >> 1462250526.28188300 Mix (69.67192s) started
T12 << 1462250526.76166201 Mix (70.15170s) stopped
T12 << 1462250526.76170707 Density (2653.67714s) stopped
T12 >> 1462250526.76173091 Hamiltonian (7349.65662s) started
T12 >> 1462250526.76174402 vbar (4.47590s) started
T12 << 1462250526.78819108 vbar (4.50235s) stopped
T12 >> 1462250526.78835011 XC 3D grid (4592.10253s) started
T12 >> 1462250527.26972389 van der Waals (4437.45281s) started
T12 >> 1462250527.38075709 semilocal (934.58328s) started
T12 << 1462250533.18431497 semilocal (940.38683s) stopped
T12 >> 1462250533.26243591 redistribute (472.90323s) started
T12 << 1462250534.25126290 redistribute (473.89206s) stopped
T12 >> 1462250534.25130606 libvdwxc nonlocal (2998.99915s) started
T12 << 1462250552.98865509 libvdwxc nonlocal (3017.73650s) stopped
T12 >> 1462250552.98871303 redistribute (473.89209s) started
T12 << 1462250554.66803288 redistribute (475.57141s) stopped
T12 << 1462250554.66911006 van der Waals (4464.85220s) stopped
T12 << 1462250555.11960602 XC 3D grid (4620.43378s) stopped
T12 >> 1462250555.11965799 Poisson (1149.04557s) started
T12 << 1462250559.48645496 Poisson (1153.41236s) stopped
T12 >> 1462250559.48652196 Hartree integrate/restrict (59.51676s) started
T12 << 1462250559.53533912 Hartree integrate/restrict (59.56558s) stopped
T12 >> 1462250559.53538990 Hartree integrate/restrict (59.56561s) started
T12 << 1462250559.84666300 Hartree integrate/restrict (59.87688s) stopped
T12 >> 1462250559.84684706 Atomic (385.77088s) started
T12 >> 1462250559.84831095 XC Correction (0.00543s) started
T12 << 1462250559.84832597 XC Correction (0.00544s) stopped
T12 << 1462250562.22193003 Atomic (388.14596s) stopped
T12 >> 1462250562.22201300 Communicate (1158.66140s) started
T12 << 1462250570.02371597 Communicate (1166.46311s) stopped
T12 << 1462250570.02375197 Hamiltonian (7392.91864s) stopped
T12 >> 1462250570.02377892 LCAO eigensolver (10799.90172s) started
T12 >> 1462250570.02379298 Potential matrix (165.35619s) started
T12 << 1462250570.97258306 Potential matrix (166.30498s) stopped
T12 >> 1462250570.97265601 DistributedAtomicCorrection (64.41640s) started
T12 << 1462250571.34227705 DistributedAtomicCorrection (64.78602s) stopped
T12 >> 1462250571.34232306 Distribute overlap matrix (1163.96788s) started
T12 >> 1462250571.34234691 blocked summation (660.30599s) started
T12 << 1462250575.23928094 blocked summation (664.20293s) stopped
T12 >> 1462250575.24836397 Scalapack redistribute (501.97686s) started
T12 << 1462250578.34950495 Scalapack redistribute (505.07800s) stopped
T12 << 1462250578.34961510 Distribute overlap matrix (1170.97518s) stopped
T12 >> 1462250578.35398889 Blacs Orbital Layouts (9110.56862s) started
T12 >> 1462250578.36241198 General diagonalize (9073.06048s) started
T12 << 1462250632.02363992 General diagonalize (9126.72170s) stopped
T12 >> 1462250632.02369308 Redistribute coefs (1.35204s) started
T12 << 1462250632.03199792 Redistribute coefs (1.36035s) stopped
T12 >> 1462250632.03204393 Send coefs to domains (34.62612s) started
T12 << 1462250632.18471503 Send coefs to domains (34.77879s) stopped
T12 << 1462250632.18529010 Blacs Orbital Layouts (9164.39993s) stopped
T12 >> 1462250632.18532300 Calculate projections (294.75291s) started
T12 << 1462250633.89985609 Calculate projections (296.46744s) stopped
T12 << 1462250633.90008807 LCAO eigensolver (10863.77803s) stopped
T12 << 1462250637.04708505 SCF-cycle (21460.48013s) stopped
T12 >> 1462250639.22901201 Force calculation (663.30634s) started
T12 >> 1462250639.22907901 LCAO forces (655.82385s) started
T12 >> 1462250639.22944498 Initial (0.00020s) started
T12 << 1462250639.22945595 Initial (0.00021s) stopped
T12 >> 1462250639.23539400 Get density matrix (347.53190s) started
T12 << 1462250648.35375500 Get density matrix (356.65026s) stopped
T12 >> 1462250648.35380507 Potential (53.28902s) started
T12 << 1462250654.23683691 Potential (59.17205s) stopped
T12 >> 1462250654.23689699 Get density matrix (356.65030s) started
T12 << 1462250683.84165812 Get density matrix (386.25506s) stopped
T12 >> 1462250683.84172511 Prepare TCI loop (18.67029s) started
T12 >> 1462250683.84221792 Get neighbors (16.91536s) started
T12 << 1462250685.75919104 Get neighbors (18.83234s) stopped
T12 >> 1462250685.76030803 broadcast dH (1.74610s) started
T12 << 1462250685.88938594 broadcast dH (1.87518s) stopped
T12 << 1462250685.88943505 Prepare TCI loop (20.71800s) stopped
T12 >> 1462250685.88945508 Not so complicated loop (1.03890s) started
T12 << 1462250686.00812006 Not so complicated loop (1.15757s) stopped
T12 >> 1462250686.12552094 Complicated loop (152.77406s) started
T12 << 1462250703.82942200 Complicated loop (170.47796s) stopped
T12 >> 1462250703.83042693 Wait for sum (81.45469s) started
T12 << 1462250712.66761899 Wait for sum (90.29188s) stopped
T12 << 1462250712.66765809 LCAO forces (729.26243s) stopped
T12 << 1462250713.51075506 Force calculation (737.58808s) stopped
T12 >> 1462250713.52838898 Initialization (1131.99731s) started
T12 << 1462250713.52855396 Initialization (1131.99748s) stopped
T12 >> 1462250713.52876496 Initialization (1131.99749s) started
T12 << 1462250713.52889609 Initialization (1131.99762s) stopped
T12 >> 1462250713.52902508 Initialization (1131.99764s) started
T12 << 1462250713.52914691 Initialization (1131.99776s) stopped
T12 >> 1462250733.89037895 Initialization (1131.99778s) started
T12 >> 1462250733.94569802 Basic WFS set positions (0.80418s) started
T12 >> 1462250733.94572401 Redistribute (0.00423s) started
T12 << 1462250733.94585991 Redistribute (0.00437s) stopped
T12 << 1462250734.02920294 Basic WFS set positions (0.88768s) stopped
T12 >> 1462250734.02922797 Basis functions set positions (16.12661s) started
T12 << 1462250735.75132394 Basis functions set positions (17.84870s) stopped
T12 >> 1462250735.75173402 TCI: Calculate S, T, P (140.13356s) started
T12 << 1462250750.13930202 TCI: Calculate S, T, P (154.52112s) stopped
T12 >> 1462250750.13936210 blocked summation (167.44839s) started
T12 << 1462250768.29783010 blocked summation (185.60686s) stopped
T12 >> 1462250768.30735898 Scalapack redistribute (62.76024s) started
T12 << 1462250775.31566191 Scalapack redistribute (69.76854s) stopped
T12 >> 1462250775.31675911 blocked summation (185.60693s) started
T12 << 1462250776.35444689 blocked summation (186.64461s) stopped
T12 >> 1462250776.36339092 Scalapack redistribute (69.76858s) started
T12 << 1462250776.61529994 Scalapack redistribute (70.02049s) stopped
T12 >> 1462250776.61715794 Redistribute (0.00851s) started
T12 << 1462250776.61773205 Redistribute (0.00909s) stopped
T12 >> 1462250778.24169397 Redistribute (0.00911s) started
T12 << 1462250778.24216008 Redistribute (0.00957s) stopped
T12 >> 1462250778.26422691 LCAO WFS Initialize (721.86076s) started
T12 >> 1462250778.26426601 Density initialize from wavefunctions (127.62765s) started
T12 >> 1462250778.26913810 Calculate density matrix (89.25638s) started
T12 << 1462250788.05399895 Calculate density matrix (99.04124s) stopped
T12 >> 1462250788.05405498 Construct density (6.66210s) started
T12 << 1462250788.79672694 Construct density (7.40477s) stopped
T12 >> 1462250788.81114292 Symmetrize density (0.00073s) started
T12 << 1462250788.81120801 Symmetrize density (0.00080s) stopped
T12 << 1462250792.29992199 Density initialize from wavefunctions (141.66330s) stopped
T12 >> 1462250792.30021906 Hamiltonian (593.31736s) started
T12 >> 1462250792.30023789 vbar (0.31541s) started
T12 << 1462250792.33095598 vbar (0.34612s) stopped
T12 >> 1462250792.33116293 XC 3D grid (286.60316s) started
T12 >> 1462250792.83284593 van der Waals (277.23564s) started
T12 >> 1462250792.94499803 semilocal (57.94295s) started
T12 << 1462250798.79695296 semilocal (63.79490s) stopped
T12 >> 1462250798.87418699 redistribute (32.61535s) started
T12 << 1462250799.81721807 redistribute (33.55838s) stopped
T12 >> 1462250799.81727791 libvdwxc nonlocal (184.73959s) started
T12 << 1462250818.86582303 libvdwxc nonlocal (203.78813s) stopped
T12 >> 1462250818.86591291 redistribute (33.55842s) started
T12 << 1462250822.09450293 redistribute (36.78701s) stopped
T12 << 1462250822.09597611 van der Waals (306.49877s) stopped
T12 << 1462250822.55455804 XC 3D grid (316.82655s) stopped
T12 >> 1462250822.55462098 Poisson (183.95351s) started
T12 << 1462250835.93098497 Poisson (197.32987s) stopped
T12 >> 1462250835.93109298 Hartree integrate/restrict (3.69028s) started
T12 << 1462250835.98954105 Hartree integrate/restrict (3.74873s) stopped
T12 >> 1462250835.98958111 Hartree integrate/restrict (3.74876s) started
T12 << 1462250836.30577588 Hartree integrate/restrict (4.06495s) stopped
T12 >> 1462250836.30595994 Atomic (23.43669s) started
T12 >> 1462250836.30866003 XC Correction (0.00041s) started
T12 << 1462250836.30871201 XC Correction (0.00046s) stopped
T12 << 1462250838.63018107 Atomic (25.76092s) stopped
T12 >> 1462250838.63035011 Communicate (95.28810s) started
T12 << 1462250849.41098595 Communicate (106.06874s) stopped
T12 << 1462250849.41102195 Hamiltonian (650.42817s) stopped
T12 << 1462250849.41103697 LCAO WFS Initialize (793.00757s) stopped
T12 << 1462250849.42315602 Initialization (1247.53055s) stopped
T12 >> 1462250849.44869804 SCF-cycle (21460.48015s) started
T12 >> 1462250849.44873190 LCAO eigensolver (10863.77805s) started
T12 >> 1462250849.44874501 Potential matrix (166.30503s) started
T12 << 1462250850.40228200 Potential matrix (167.25856s) stopped
T12 >> 1462250850.40236902 DistributedAtomicCorrection (64.78606s) started
T12 << 1462250850.77522993 DistributedAtomicCorrection (65.15892s) stopped
T12 >> 1462250850.77527595 Distribute overlap matrix (1170.97519s) started
T12 >> 1462250850.77530193 blocked summation (664.20296s) started
T12 << 1462250854.84284806 blocked summation (668.27051s) stopped
T12 >> 1462250854.85211992 Scalapack redistribute (505.07806s) started
T12 << 1462250857.79171300 Scalapack redistribute (508.01766s) stopped
T12 << 1462250857.79181004 Distribute overlap matrix (1177.99172s) stopped
T12 >> 1462250857.79667091 Blacs Orbital Layouts (9164.39994s) started
T12 >> 1462250857.80497694 General diagonalize (9126.72175s) started
T12 << 1462250912.76514602 General diagonalize (9181.68192s) stopped
T12 >> 1462250912.76518989 Redistribute coefs (1.36038s) started
T12 << 1462250912.77335310 Redistribute coefs (1.36855s) stopped
T12 >> 1462250912.77339292 Send coefs to domains (34.77884s) started
T12 << 1462250912.88990092 Send coefs to domains (34.89535s) stopped
T12 << 1462250912.89029694 Blacs Orbital Layouts (9219.49357s) stopped
T12 >> 1462250912.89032507 Calculate projections (296.46750s) started
T12 << 1462250914.59293389 Calculate projections (298.17011s) stopped
T12 << 1462250914.59312701 LCAO eigensolver (10928.92245s) stopped
T12 >> 1462250917.73339200 Density (2653.67715s) started
T12 >> 1462250917.73340702 Pseudo density (2064.96389s) started
T12 >> 1462250917.73697996 Calculate density matrix (1940.67736s) started
T12 << 1462250929.84172511 Calculate density matrix (1952.78210s) stopped
T12 >> 1462250929.84177303 Construct density (121.02538s) started
T12 << 1462250930.58325696 Construct density (121.76687s) stopped
T12 >> 1462250930.59920907 Symmetrize density (0.01377s) started
T12 << 1462250930.59927511 Symmetrize density (0.01383s) stopped
T12 << 1462250930.60143995 Pseudo density (2077.83192s) stopped
T12 >> 1462250930.60149503 Atomic density matrices (515.89816s) started
T12 << 1462250933.81596303 Atomic density matrices (519.11263s) stopped
T12 >> 1462250933.81599498 Multipole moments (1.51805s) started
T12 << 1462250933.82655501 Multipole moments (1.52861s) stopped
T12 >> 1462250933.82657790 Normalize (1.13316s) started
T12 << 1462250933.83435607 Normalize (1.14094s) stopped
T12 >> 1462250933.83440590 Mix (70.15174s) started
T12 << 1462250934.24405909 Mix (70.56140s) stopped
T12 << 1462250934.24410295 Density (2670.18787s) stopped
T12 >> 1462250934.24412799 Hamiltonian (7392.91865s) started
T12 >> 1462250934.24414206 vbar (4.50244s) started
T12 << 1462250934.26756692 vbar (4.52586s) stopped
T12 >> 1462250934.26767492 XC 3D grid (4620.43383s) started
T12 >> 1462250934.77210402 van der Waals (4464.85223s) started
T12 >> 1462250934.88417602 semilocal (940.38694s) started
T12 << 1462250940.56255507 semilocal (946.06532s) stopped
T12 >> 1462250940.63956904 redistribute (475.57146s) started
T12 << 1462250941.72605991 redistribute (476.65795s) stopped
T12 >> 1462250941.72610307 libvdwxc nonlocal (3017.73655s) started
T12 << 1462250960.31659603 libvdwxc nonlocal (3036.32704s) stopped
T12 >> 1462250960.31665993 redistribute (476.65798s) started
T12 << 1462250962.05328608 redistribute (478.39461s) stopped
T12 << 1462250962.05457091 van der Waals (4492.13470s) stopped
T12 << 1462250962.50949693 XC 3D grid (4648.67565s) stopped
T12 >> 1462250962.50954008 Poisson (1153.41241s) started
T12 << 1462250968.26797295 Poisson (1159.17085s) stopped
T12 >> 1462250968.26804209 Hartree integrate/restrict (59.87692s) started
T12 << 1462250968.31186104 Hartree integrate/restrict (59.92074s) stopped
T12 >> 1462250968.31193590 Hartree integrate/restrict (59.92079s) started
T12 << 1462250968.63371301 Hartree integrate/restrict (60.24257s) stopped
T12 >> 1462250968.63391900 Atomic (388.14598s) started
T12 >> 1462250968.63662004 XC Correction (0.00546s) started
T12 << 1462250968.63666701 XC Correction (0.00550s) stopped
T12 << 1462250970.97117090 Atomic (390.48324s) stopped
T12 >> 1462250970.97134590 Communicate (1166.46313s) started
T12 << 1462250981.54176593 Communicate (1177.03355s) stopped
T12 << 1462250981.54180503 Hamiltonian (7440.21633s) stopped
T12 >> 1462250981.54182911 LCAO eigensolver (10928.92246s) started
T12 >> 1462250981.54184103 Potential matrix (167.25861s) started
T12 << 1462250982.48881888 Potential matrix (168.20559s) stopped
T12 >> 1462250982.48890710 DistributedAtomicCorrection (65.15896s) started
T12 << 1462250982.86382008 DistributedAtomicCorrection (65.53387s) stopped
T12 >> 1462250982.86386704 Distribute overlap matrix (1177.99173s) started
T12 >> 1462250982.86389089 blocked summation (668.27054s) started
T12 << 1462250986.77853990 blocked summation (672.18518s) stopped
T12 >> 1462250986.78804994 Scalapack redistribute (508.01769s) started
T12 << 1462250989.71297407 Scalapack redistribute (510.94262s) stopped
T12 << 1462250989.71304798 Distribute overlap matrix (1184.84092s) stopped
T12 >> 1462250989.71746492 Blacs Orbital Layouts (9219.49359s) started
T12 >> 1462250989.72582006 General diagonalize (9181.68195s) started
T12 << 1462251040.83914590 General diagonalize (9232.79528s) stopped
T12 >> 1462251040.83919811 Redistribute coefs (1.36858s) started
T12 << 1462251040.84838700 Redistribute coefs (1.37777s) stopped
T12 >> 1462251040.84845901 Send coefs to domains (34.89538s) started
T12 << 1462251041.00236011 Send coefs to domains (35.04928s) stopped
T12 << 1462251041.00272989 Blacs Orbital Layouts (9270.77885s) stopped
T12 >> 1462251041.00276494 Calculate projections (298.17016s) started
T12 << 1462251042.71875191 Calculate projections (299.88615s) stopped
T12 << 1462251042.71899295 LCAO eigensolver (10990.09963s) stopped
T12 >> 1462251045.86544490 Density (2670.18788s) started
T12 >> 1462251045.86546206 Pseudo density (2077.83196s) started
T12 >> 1462251045.86818504 Calculate density matrix (1952.78214s) started
T12 << 1462251057.78529000 Calculate density matrix (1964.69924s) stopped
T12 >> 1462251057.78534698 Construct density (121.76692s) started
T12 << 1462251058.53095794 Construct density (122.51253s) stopped
T12 >> 1462251058.54603696 Symmetrize density (0.01385s) started
T12 << 1462251058.54611802 Symmetrize density (0.01393s) stopped
T12 << 1462251058.54827094 Pseudo density (2090.51477s) stopped
T12 >> 1462251058.54833794 Atomic density matrices (519.11265s) started
T12 << 1462251061.69585705 Atomic density matrices (522.26017s) stopped
T12 >> 1462251061.69589400 Multipole moments (1.52863s) started
T12 << 1462251061.70582008 Multipole moments (1.53856s) stopped
T12 >> 1462251061.70584607 Normalize (1.14097s) started
T12 << 1462251061.71215200 Normalize (1.14728s) stopped
T12 >> 1462251061.71221304 Mix (70.56144s) started
T12 << 1462251062.07657003 Mix (70.92580s) stopped
T12 << 1462251062.07660890 Density (2686.39904s) stopped
T12 >> 1462251062.07663608 Hamiltonian (7440.21634s) started
T12 >> 1462251062.07664990 vbar (4.52593s) started
T12 << 1462251062.10999703 vbar (4.55927s) stopped
T12 >> 1462251062.11014700 XC 3D grid (4648.67568s) started
T12 >> 1462251062.58794594 van der Waals (4492.13473s) started
T12 >> 1462251062.70019197 semilocal (946.06542s) started
T12 << 1462251068.51251197 semilocal (951.87774s) stopped
T12 >> 1462251068.58820796 redistribute (478.39466s) started
T12 << 1462251069.53835607 redistribute (479.34481s) stopped
T12 >> 1462251069.53841710 libvdwxc nonlocal (3036.32709s) started
T12 << 1462251087.78070998 libvdwxc nonlocal (3054.56938s) stopped
T12 >> 1462251087.78079295 redistribute (479.34486s) started
T12 << 1462251089.79365396 redistribute (481.35772s) stopped
T12 << 1462251089.79515910 van der Waals (4519.34194s) stopped
T12 << 1462251090.24571300 XC 3D grid (4676.81125s) stopped
T12 >> 1462251090.24578595 Poisson (1159.17090s) started
T12 << 1462251098.83254004 Poisson (1167.75765s) stopped
T12 >> 1462251098.83262205 Hartree integrate/restrict (60.24261s) started
T12 << 1462251098.87093711 Hartree integrate/restrict (60.28092s) stopped
T12 >> 1462251098.87101197 Hartree integrate/restrict (60.28097s) started
T12 << 1462251099.22469902 Hartree integrate/restrict (60.63466s) stopped
T12 >> 1462251099.22491598 Atomic (390.48326s) started
T12 >> 1462251099.22675991 XC Correction (0.00552s) started
T12 << 1462251099.22677898 XC Correction (0.00554s) stopped
T12 << 1462251101.55541110 Atomic (392.81375s) stopped
T12 >> 1462251101.55558610 Communicate (1177.03358s) started
T12 << 1462251110.84858894 Communicate (1186.32658s) stopped
T12 << 1462251110.84863210 Hamiltonian (7488.98834s) stopped
T12 >> 1462251110.84865904 LCAO eigensolver (10990.09965s) started
T12 >> 1462251110.84867311 Potential matrix (168.20564s) started
T12 << 1462251111.79623795 Potential matrix (169.15321s) stopped
T12 >> 1462251111.79631901 DistributedAtomicCorrection (65.53391s) started
T12 << 1462251112.17195392 DistributedAtomicCorrection (65.90954s) stopped
T12 >> 1462251112.17200089 Distribute overlap matrix (1184.84093s) started
T12 >> 1462251112.17202902 blocked summation (672.18522s) started
T12 << 1462251116.10148096 blocked summation (676.11467s) stopped
T12 >> 1462251116.11148691 Scalapack redistribute (510.94268s) started
T12 << 1462251119.04651189 Scalapack redistribute (513.87770s) stopped
T12 << 1462251119.04659009 Distribute overlap matrix (1191.71552s) stopped
T12 >> 1462251119.05083799 Blacs Orbital Layouts (9270.77888s) started
T12 >> 1462251119.05885291 General diagonalize (9232.79533s) started
T12 << 1462251173.08631611 General diagonalize (9286.82279s) stopped
T12 >> 1462251173.08636594 Redistribute coefs (1.37783s) started
T12 << 1462251173.09547591 Redistribute coefs (1.38694s) stopped
T12 >> 1462251173.09552407 Send coefs to domains (35.04932s) started
T12 << 1462251173.32388902 Send coefs to domains (35.27769s) stopped
T12 << 1462251173.32408190 Blacs Orbital Layouts (9325.05212s) stopped
T12 >> 1462251173.32411098 Calculate projections (299.88621s) started
T12 << 1462251175.03831291 Calculate projections (301.60041s) stopped
T12 << 1462251175.03870702 LCAO eigensolver (11054.28969s) stopped
T12 >> 1462251178.19191408 Density (2686.39906s) started
T12 >> 1462251178.19193006 Pseudo density (2090.51483s) started
T12 >> 1462251178.19472790 Calculate density matrix (1964.69928s) started
T12 << 1462251190.05409002 Calculate density matrix (1976.55864s) stopped
T12 >> 1462251190.05414701 Construct density (122.51259s) started
T12 << 1462251190.79827404 Construct density (123.25672s) stopped
T12 >> 1462251190.81429601 Symmetrize density (0.01395s) started
T12 << 1462251190.81437397 Symmetrize density (0.01403s) stopped
T12 << 1462251190.81650710 Pseudo density (2103.13940s) stopped
T12 >> 1462251190.81657290 Atomic density matrices (522.26020s) started
T12 << 1462251194.04896808 Atomic density matrices (525.49259s) stopped
T12 >> 1462251194.04900408 Multipole moments (1.53858s) started
T12 << 1462251194.05936503 Multipole moments (1.54894s) stopped
T12 >> 1462251194.05938911 Normalize (1.14733s) started
T12 << 1462251194.06560898 Normalize (1.15354s) stopped
T12 >> 1462251194.06568599 Mix (70.92584s) started
T12 << 1462251194.45718694 Mix (71.31734s) stopped
T12 << 1462251194.45723605 Density (2702.66438s) stopped
T12 >> 1462251194.45726204 Hamiltonian (7488.98835s) started
T12 >> 1462251194.45727611 vbar (4.55936s) started
T12 << 1462251194.47915196 vbar (4.58124s) stopped
T12 >> 1462251194.47926593 XC 3D grid (4676.81131s) started
T12 >> 1462251194.98672891 van der Waals (4519.34199s) started
T12 >> 1462251195.10318589 semilocal (951.87779s) started
T12 << 1462251200.90996194 semilocal (957.68457s) stopped
T12 >> 1462251200.98007798 redistribute (481.35776s) started
T12 << 1462251201.95808291 redistribute (482.33577s) stopped
T12 >> 1462251201.95812702 libvdwxc nonlocal (3054.56944s) started
T12 << 1462251220.30920196 libvdwxc nonlocal (3072.92052s) stopped
T12 >> 1462251220.30927110 redistribute (482.33580s) started
T12 << 1462251222.22585011 redistribute (484.25238s) stopped
T12 << 1462251222.22715497 van der Waals (4546.58241s) stopped
T12 << 1462251222.67890596 XC 3D grid (4705.01095s) stopped
T12 >> 1462251222.67897010 Poisson (1167.75771s) started
T12 << 1462251229.85046291 Poisson (1174.92920s) stopped
T12 >> 1462251229.85053301 Hartree integrate/restrict (60.63471s) started
T12 << 1462251229.89255095 Hartree integrate/restrict (60.67673s) stopped
T12 >> 1462251229.89259291 Hartree integrate/restrict (60.67676s) started
T12 << 1462251230.21539903 Hartree integrate/restrict (60.99956s) stopped
T12 >> 1462251230.21554708 Atomic (392.81378s) started
T12 >> 1462251230.21720910 XC Correction (0.00555s) started
T12 << 1462251230.21722388 XC Correction (0.00557s) stopped
T12 << 1462251232.58066201 Atomic (395.17889s) stopped
T12 >> 1462251232.58081293 Communicate (1186.32661s) started
T12 << 1462251240.82549191 Communicate (1194.57129s) stopped
T12 << 1462251240.82552195 Hamiltonian (7535.35661s) stopped
T12 >> 1462251240.82554507 LCAO eigensolver (11054.28971s) started
T12 >> 1462251240.82555795 Potential matrix (169.15325s) started
T12 << 1462251241.78704405 Potential matrix (170.11474s) stopped
T12 >> 1462251241.78711605 DistributedAtomicCorrection (65.90958s) started
T12 << 1462251242.16855788 DistributedAtomicCorrection (66.29102s) stopped
T12 >> 1462251242.16860509 Distribute overlap matrix (1191.71553s) started
T12 >> 1462251242.16862988 blocked summation (676.11470s) started
T12 << 1462251246.04796505 blocked summation (679.99404s) stopped
T12 >> 1462251246.05725789 Scalapack redistribute (513.87776s) started
T12 << 1462251249.01719594 Scalapack redistribute (516.83770s) stopped
T12 << 1462251249.01728702 Distribute overlap matrix (1198.56421s) stopped
T12 >> 1462251249.02202511 Blacs Orbital Layouts (9325.05214s) started
T12 >> 1462251249.03009200 General diagonalize (9286.82283s) started
T12 << 1462251302.37970400 General diagonalize (9340.17244s) stopped
T12 >> 1462251302.37978292 Redistribute coefs (1.38698s) started
T12 << 1462251302.38837409 Redistribute coefs (1.39557s) stopped
T12 >> 1462251302.38841891 Send coefs to domains (35.27773s) started
T12 << 1462251302.48136091 Send coefs to domains (35.37067s) stopped
T12 << 1462251302.48153806 Blacs Orbital Layouts (9378.51165s) stopped
T12 >> 1462251302.48156595 Calculate projections (301.60047s) started
T12 << 1462251304.18844008 Calculate projections (303.30734s) stopped
T12 << 1462251304.18880200 LCAO eigensolver (11117.65297s) stopped
T12 >> 1462251307.33294511 Density (2702.66439s) started
T12 >> 1462251307.33295894 Pseudo density (2103.13946s) started
T12 >> 1462251307.33605289 Calculate density matrix (1976.55868s) started
T12 << 1462251319.26857805 Calculate density matrix (1988.49120s) stopped
T12 >> 1462251319.26862502 Construct density (123.25677s) started
T12 << 1462251320.01311111 Construct density (124.00126s) stopped
T12 >> 1462251320.03021002 Symmetrize density (0.01405s) started
T12 << 1462251320.03027701 Symmetrize density (0.01411s) stopped
T12 << 1462251320.03243709 Pseudo density (2115.83893s) stopped
T12 >> 1462251320.03249311 Atomic density matrices (525.49262s) started
T12 << 1462251323.18753290 Atomic density matrices (528.64766s) stopped
T12 >> 1462251323.18756390 Multipole moments (1.54895s) started
T12 << 1462251323.19795394 Multipole moments (1.55934s) stopped
T12 >> 1462251323.19797707 Normalize (1.15360s) started
T12 << 1462251323.20582390 Normalize (1.16145s) stopped
T12 >> 1462251323.20586705 Mix (71.31739s) started
T12 << 1462251323.61719203 Mix (71.72871s) stopped
T12 << 1462251323.61724305 Density (2718.94869s) stopped
T12 >> 1462251323.61726809 Hamiltonian (7535.35662s) started
T12 >> 1462251323.61728191 vbar (4.58130s) started
T12 << 1462251323.63811207 vbar (4.60213s) stopped
T12 >> 1462251323.63820505 XC 3D grid (4705.01100s) started
T12 >> 1462251324.14896107 van der Waals (4546.58245s) started
T12 >> 1462251324.26408100 semilocal (957.68464s) started
T12 << 1462251329.97701907 semilocal (963.39757s) stopped
T12 >> 1462251330.05214000 redistribute (484.25242s) started
T12 << 1462251331.12710905 redistribute (485.32739s) stopped
T12 >> 1462251331.12715292 libvdwxc nonlocal (3072.92057s) started
T12 << 1462251349.55808496 libvdwxc nonlocal (3091.35150s) stopped
T12 >> 1462251349.55812693 redistribute (485.32742s) started
T12 << 1462251351.24641299 redistribute (487.01571s) stopped
T12 << 1462251351.24749708 van der Waals (4573.68099s) stopped
T12 << 1462251351.69807792 XC 3D grid (4733.07087s) stopped
T12 >> 1462251351.69811511 Poisson (1174.92925s) started
T12 << 1462251357.59880996 Poisson (1180.82995s) stopped
T12 >> 1462251357.59887910 Hartree integrate/restrict (60.99959s) started
T12 << 1462251357.64441609 Hartree integrate/restrict (61.04513s) stopped
T12 >> 1462251357.64445710 Hartree integrate/restrict (61.04515s) started
T12 << 1462251357.95842505 Hartree integrate/restrict (61.35912s) stopped
T12 >> 1462251357.95857096 Atomic (395.17891s) started
T12 >> 1462251357.96014309 XC Correction (0.00558s) started
T12 << 1462251357.96015692 XC Correction (0.00559s) stopped
T12 << 1462251360.30783606 Atomic (397.52818s) stopped
T12 >> 1462251360.30796790 Communicate (1194.57131s) started
T12 << 1462251368.54785490 Communicate (1202.81119s) stopped
T12 << 1462251368.54788089 Hamiltonian (7580.28724s) stopped
T12 >> 1462251368.54790211 LCAO eigensolver (11117.65299s) started
T12 >> 1462251368.54791498 Potential matrix (170.11478s) started
T12 << 1462251369.50075507 Potential matrix (171.06762s) stopped
T12 >> 1462251369.50084496 DistributedAtomicCorrection (66.29106s) started
T12 << 1462251369.87961197 DistributedAtomicCorrection (66.66983s) stopped
T12 >> 1462251369.87965894 Distribute overlap matrix (1198.56422s) started
T12 >> 1462251369.87968302 blocked summation (679.99407s) started
T12 << 1462251373.78898406 blocked summation (683.90337s) stopped
T12 >> 1462251373.79837203 Scalapack redistribute (516.83776s) started
T12 << 1462251376.70781898 Scalapack redistribute (519.74721s) stopped
T12 << 1462251376.70791793 Distribute overlap matrix (1205.39248s) stopped
T12 >> 1462251376.71250391 Blacs Orbital Layouts (9378.51167s) started
T12 >> 1462251376.72088289 General diagonalize (9340.17251s) started
T12 << 1462251430.34845591 General diagonalize (9393.80008s) stopped
T12 >> 1462251430.34853005 Redistribute coefs (1.39560s) started
T12 << 1462251430.35748196 Redistribute coefs (1.40455s) stopped
T12 >> 1462251430.35754490 Send coefs to domains (35.37070s) started
T12 << 1462251430.94740605 Send coefs to domains (35.96057s) stopped
T12 << 1462251430.94768906 Blacs Orbital Layouts (9432.74686s) stopped
T12 >> 1462251430.94771695 Calculate projections (303.30739s) started
T12 << 1462251432.65674591 Calculate projections (305.01642s) stopped
T12 << 1462251432.65710711 LCAO eigensolver (11181.76219s) stopped
T12 >> 1462251435.78761292 Density (2718.94870s) started
T12 >> 1462251435.78762889 Pseudo density (2115.83898s) started
T12 >> 1462251435.79065704 Calculate density matrix (1988.49123s) started
T12 << 1462251448.85203290 Calculate density matrix (2001.55261s) stopped
T12 >> 1462251448.85208893 Construct density (124.00131s) started
T12 << 1462251449.59798193 Construct density (124.74720s) stopped
T12 >> 1462251449.61222792 Symmetrize density (0.01413s) started
T12 << 1462251449.61231089 Symmetrize density (0.01422s) stopped
T12 << 1462251449.61446595 Pseudo density (2129.66582s) stopped
T12 >> 1462251449.61453104 Atomic density matrices (528.64769s) started
T12 << 1462251452.82505488 Atomic density matrices (531.85821s) stopped
T12 >> 1462251452.82509089 Multipole moments (1.55936s) started
T12 << 1462251452.83493090 Multipole moments (1.56920s) stopped
T12 >> 1462251452.83496189 Normalize (1.16148s) started
T12 << 1462251452.84127402 Normalize (1.16779s) stopped
T12 >> 1462251452.84134412 Mix (71.72876s) started
T12 << 1462251453.32148409 Mix (72.20890s) stopped
T12 << 1462251453.32153702 Density (2736.48263s) stopped
T12 >> 1462251453.32156396 Hamiltonian (7580.28725s) started
T12 >> 1462251453.32157993 vbar (4.60219s) started
T12 << 1462251453.34470201 vbar (4.62531s) stopped
T12 >> 1462251453.34476399 XC 3D grid (4733.07090s) started
T12 >> 1462251453.87084889 van der Waals (4573.68102s) started
T12 >> 1462251453.98172688 semilocal (963.39767s) started
T12 << 1462251459.80412292 semilocal (969.22007s) stopped
T12 >> 1462251459.88480091 redistribute (487.01574s) started
T12 << 1462251460.83065605 redistribute (487.96160s) stopped
T12 >> 1462251460.83070803 libvdwxc nonlocal (3091.35153s) started
T12 << 1462251478.73398900 libvdwxc nonlocal (3109.25481s) stopped
T12 >> 1462251478.73407292 redistribute (487.96164s) started
T12 << 1462251480.77824593 redistribute (490.00581s) stopped
T12 << 1462251480.77963996 van der Waals (4600.58981s) stopped
T12 << 1462251481.22970200 XC 3D grid (4760.95584s) stopped
T12 >> 1462251481.22974992 Poisson (1180.83000s) started
T12 << 1462251487.02541995 Poisson (1186.62567s) stopped
T12 >> 1462251487.02551198 Hartree integrate/restrict (61.35915s) started
T12 << 1462251487.06356406 Hartree integrate/restrict (61.39721s) stopped
T12 >> 1462251487.06363893 Hartree integrate/restrict (61.39725s) started
T12 << 1462251487.39124107 Hartree integrate/restrict (61.72485s) stopped
T12 >> 1462251487.39143109 Atomic (397.52820s) started
T12 >> 1462251487.39308095 XC Correction (0.00560s) started
T12 << 1462251487.39309502 XC Correction (0.00562s) stopped
T12 << 1462251489.76493502 Atomic (399.90171s) stopped
T12 >> 1462251489.76507401 Communicate (1202.81121s) started
T12 << 1462251498.03414011 Communicate (1211.08028s) stopped
T12 << 1462251498.03420591 Hamiltonian (7624.99989s) stopped
T12 >> 1462251498.03423405 LCAO eigensolver (11181.76221s) started
T12 >> 1462251498.03424692 Potential matrix (171.06768s) started
T12 << 1462251498.98951507 Potential matrix (172.02295s) stopped
T12 >> 1462251498.98959398 DistributedAtomicCorrection (66.66987s) started
T12 << 1462251499.37153101 DistributedAtomicCorrection (67.05181s) stopped
T12 >> 1462251499.37157893 Distribute overlap matrix (1205.39250s) started
T12 >> 1462251499.37160802 blocked summation (683.90340s) started
T12 << 1462251503.29541492 blocked summation (687.82721s) stopped
T12 >> 1462251503.30517101 Scalapack redistribute (519.74726s) started
T12 << 1462251506.22845006 Scalapack redistribute (522.67054s) stopped
T12 << 1462251506.22855902 Distribute overlap matrix (1212.24948s) stopped
T12 >> 1462251506.23279810 Blacs Orbital Layouts (9432.74688s) started
T12 >> 1462251506.24093103 General diagonalize (9393.80015s) started
T12 << 1462251558.30145192 General diagonalize (9445.86067s) stopped
T12 >> 1462251558.30150008 Redistribute coefs (1.40461s) started
T12 << 1462251558.31019902 Redistribute coefs (1.41330s) stopped
T12 >> 1462251558.31023908 Send coefs to domains (35.96060s) started
T12 << 1462251558.48309994 Send coefs to domains (36.13346s) stopped
T12 << 1462251558.48337007 Blacs Orbital Layouts (9484.99745s) stopped
T12 >> 1462251558.48340011 Calculate projections (305.01648s) started
T12 << 1462251560.18752694 Calculate projections (306.72061s) stopped
T12 << 1462251560.18797994 LCAO eigensolver (11243.91596s) stopped
T12 >> 1462251563.35588002 Density (2736.48264s) started
T12 >> 1462251563.35589504 Pseudo density (2129.66587s) started
T12 >> 1462251563.35895801 Calculate density matrix (2001.55265s) started
T12 << 1462251576.37825203 Calculate density matrix (2014.57194s) stopped
T12 >> 1462251576.37829995 Construct density (124.74726s) started
T12 << 1462251577.12401104 Construct density (125.49297s) stopped
T12 >> 1462251577.14122391 Symmetrize density (0.01423s) started
T12 << 1462251577.14129591 Symmetrize density (0.01431s) stopped
T12 << 1462251577.14346600 Pseudo density (2143.45344s) stopped
T12 >> 1462251577.14352393 Atomic density matrices (531.85824s) started
T12 << 1462251580.34866405 Atomic density matrices (535.06338s) stopped
T12 >> 1462251580.34869504 Multipole moments (1.56921s) started
T12 << 1462251580.35909510 Multipole moments (1.57961s) stopped
T12 >> 1462251580.35912490 Normalize (1.16784s) started
T12 << 1462251580.36574697 Normalize (1.17446s) stopped
T12 >> 1462251580.36578488 Mix (72.20895s) started
T12 << 1462251580.79041505 Mix (72.63358s) stopped
T12 << 1462251580.79044294 Density (2753.91720s) stopped
T12 >> 1462251580.79046607 Hamiltonian (7624.99990s) started
T12 >> 1462251580.79047990 vbar (4.62534s) started
T12 << 1462251580.80903196 vbar (4.64390s) stopped
T12 >> 1462251580.80910802 XC 3D grid (4760.95588s) started
T12 >> 1462251581.37093592 van der Waals (4600.58985s) started
T12 >> 1462251581.48423290 semilocal (969.22012s) started
T12 << 1462251587.22094893 semilocal (974.95684s) stopped
T12 >> 1462251587.29902506 redistribute (490.00585s) started
T12 << 1462251588.32300305 redistribute (491.02983s) stopped
T12 >> 1462251588.32306790 libvdwxc nonlocal (3109.25488s) started
T12 << 1462251607.32400489 libvdwxc nonlocal (3128.25582s) stopped
T12 >> 1462251607.32406998 redistribute (491.02988s) started
T12 << 1462251610.08490610 redistribute (493.79072s) stopped
T12 << 1462251610.08621907 van der Waals (4629.30513s) stopped
T12 << 1462251610.54032302 XC 3D grid (4790.68709s) stopped
T12 >> 1462251610.54036498 Poisson (1186.62573s) started
T12 << 1462251616.43570399 Poisson (1192.52107s) stopped
T12 >> 1462251616.43576694 Hartree integrate/restrict (61.72491s) started
T12 << 1462251616.49134207 Hartree integrate/restrict (61.78048s) stopped
T12 >> 1462251616.49142599 Hartree integrate/restrict (61.78054s) started
T12 << 1462251616.81948709 Hartree integrate/restrict (62.10860s) stopped
T12 >> 1462251616.81983495 Atomic (399.90173s) started
T12 >> 1462251616.82201290 XC Correction (0.00563s) started
T12 << 1462251616.82205105 XC Correction (0.00567s) stopped
T12 << 1462251619.15336990 Atomic (402.23527s) stopped
T12 >> 1462251619.15347409 Communicate (1211.08033s) started
T12 << 1462251627.43670702 Communicate (1219.36356s) stopped
T12 << 1462251627.43674397 Hamiltonian (7671.64618s) stopped
T12 >> 1462251627.43676901 LCAO eigensolver (11243.91598s) started
T12 >> 1462251627.43678188 Potential matrix (172.02299s) started
T12 << 1462251628.39038706 Potential matrix (172.97659s) stopped
T12 >> 1462251628.39047408 DistributedAtomicCorrection (67.05185s) started
T12 << 1462251628.76623106 DistributedAtomicCorrection (67.42760s) stopped
T12 >> 1462251628.76627803 Distribute overlap matrix (1212.24949s) started
T12 >> 1462251628.76630306 blocked summation (687.82724s) started
T12 << 1462251632.70392203 blocked summation (691.76486s) stopped
T12 >> 1462251632.71369100 Scalapack redistribute (522.67059s) started
T12 << 1462251635.56977391 Scalapack redistribute (525.52668s) stopped
T12 << 1462251635.56985497 Distribute overlap matrix (1219.05307s) stopped
T12 >> 1462251635.57427812 Blacs Orbital Layouts (9484.99747s) started
T12 >> 1462251635.58230400 General diagonalize (9445.86071s) started
T12 << 1462251689.89845800 General diagonalize (9500.17686s) stopped
T12 >> 1462251689.89854503 Redistribute coefs (1.41334s) started
T12 << 1462251689.90758991 Redistribute coefs (1.42238s) stopped
T12 >> 1462251689.90762997 Send coefs to domains (36.13349s) started
T12 << 1462251690.00346303 Send coefs to domains (36.22933s) stopped
T12 << 1462251690.00365400 Blacs Orbital Layouts (9539.42684s) stopped
T12 >> 1462251690.00368309 Calculate projections (306.72066s) started
T12 << 1462251691.70700192 Calculate projections (308.42398s) stopped
T12 << 1462251691.70734191 LCAO eigensolver (11308.18655s) stopped
T12 >> 1462251694.84798789 Density (2753.91722s) started
T12 >> 1462251694.84800410 Pseudo density (2143.45349s) started
T12 >> 1462251694.85125494 Calculate density matrix (2014.57197s) started
T12 << 1462251706.81135297 Calculate density matrix (2026.53207s) stopped
T12 >> 1462251706.81140089 Construct density (125.49302s) started
T12 << 1462251707.55559897 Construct density (126.23722s) stopped
T12 >> 1462251707.57273197 Symmetrize density (0.01432s) started
T12 << 1462251707.57280397 Symmetrize density (0.01440s) stopped
T12 << 1462251707.57497907 Pseudo density (2156.18046s) stopped
T12 >> 1462251707.57503605 Atomic density matrices (535.06340s) started
T12 << 1462251710.79948592 Atomic density matrices (538.28785s) stopped
T12 >> 1462251710.79951692 Multipole moments (1.57963s) started
T12 << 1462251710.80991101 Multipole moments (1.59002s) stopped
T12 >> 1462251710.80994201 Normalize (1.17449s) started
T12 << 1462251710.81660104 Normalize (1.18115s) stopped
T12 >> 1462251710.81663704 Mix (72.63361s) started
T12 << 1462251711.28206706 Mix (73.09904s) stopped
T12 << 1462251711.28210092 Density (2770.35133s) stopped
T12 >> 1462251711.28212690 Hamiltonian (7671.64619s) started
T12 >> 1462251711.28214097 vbar (4.64394s) started
T12 << 1462251711.31711602 vbar (4.67892s) stopped
T12 >> 1462251711.31721902 XC 3D grid (4790.68712s) started
T12 >> 1462251711.79730201 van der Waals (4629.30517s) started
T12 >> 1462251711.91271806 semilocal (974.95689s) started
T12 << 1462251717.60834408 semilocal (980.65251s) stopped
T12 >> 1462251717.69033408 redistribute (493.79075s) started
T12 << 1462251718.77038598 redistribute (494.87080s) stopped
T12 >> 1462251718.77042794 libvdwxc nonlocal (3128.25587s) started
T12 << 1462251737.37305903 libvdwxc nonlocal (3146.85850s) stopped
T12 >> 1462251737.37312889 redistribute (494.87084s) started
T12 << 1462251739.05629611 redistribute (496.55400s) stopped
T12 << 1462251739.05761194 van der Waals (4656.56548s) stopped
T12 << 1462251739.50576401 XC 3D grid (4818.87567s) stopped
T12 >> 1462251739.50580692 Poisson (1192.52111s) started
T12 << 1462251743.84199810 Poisson (1196.85731s) stopped
T12 >> 1462251743.84209609 Hartree integrate/restrict (62.10870s) started
T12 << 1462251743.89111900 Hartree integrate/restrict (62.15772s) stopped
T12 >> 1462251743.89116001 Hartree integrate/restrict (62.15775s) started
T12 << 1462251744.20457697 Hartree integrate/restrict (62.47117s) stopped
T12 >> 1462251744.20473194 Atomic (402.23529s) started
T12 >> 1462251744.20648503 XC Correction (0.00568s) started
T12 << 1462251744.20652008 XC Correction (0.00572s) stopped
T12 << 1462251746.54588890 Atomic (404.57644s) stopped
T12 >> 1462251746.54597902 Communicate (1219.36359s) started
T12 << 1462251754.85007095 Communicate (1227.66768s) stopped
T12 << 1462251754.85010505 Hamiltonian (7715.21417s) stopped
T12 >> 1462251754.85013008 LCAO eigensolver (11308.18657s) started
T12 >> 1462251754.85014296 Potential matrix (172.97665s) started
T12 << 1462251755.80993104 Potential matrix (173.93643s) stopped
T12 >> 1462251755.81002212 DistributedAtomicCorrection (67.42764s) started
T12 << 1462251756.18580890 DistributedAtomicCorrection (67.80343s) stopped
T12 >> 1462251756.18585706 Distribute overlap matrix (1219.05308s) started
T12 >> 1462251756.18588209 blocked summation (691.76489s) started
T12 << 1462251760.08963394 blocked summation (695.66864s) stopped
T12 >> 1462251760.09967804 Scalapack redistribute (525.52674s) started
T12 << 1462251763.00833893 Scalapack redistribute (528.43540s) stopped
T12 << 1462251763.00841904 Distribute overlap matrix (1225.87564s) stopped
T12 >> 1462251763.01288605 Blacs Orbital Layouts (9539.42686s) started
T12 >> 1462251763.02103400 General diagonalize (9500.17693s) started
T12 << 1462251817.55691791 General diagonalize (9554.71282s) stopped
T12 >> 1462251817.55696392 Redistribute coefs (1.42241s) started
T12 << 1462251817.56551290 Redistribute coefs (1.43096s) stopped
T12 >> 1462251817.56555295 Send coefs to domains (36.22936s) started
T12 << 1462251818.17063308 Send coefs to domains (36.83444s) stopped
T12 << 1462251818.17084193 Blacs Orbital Layouts (9594.58482s) stopped
T12 >> 1462251818.17087007 Calculate projections (308.42403s) started
T12 << 1462251819.87675500 Calculate projections (310.12992s) stopped
T12 << 1462251819.87713909 LCAO eigensolver (11373.21358s) stopped
T12 >> 1462251823.00521398 Density (2770.35134s) started
T12 >> 1462251823.00522900 Pseudo density (2156.18051s) started
T12 >> 1462251823.00830603 Calculate density matrix (2026.53210s) started
T12 << 1462251834.96232200 Calculate density matrix (2038.48612s) stopped
T12 >> 1462251834.96236992 Construct density (126.23728s) started
T12 << 1462251835.70740891 Construct density (126.98231s) stopped
T12 >> 1462251835.72448397 Symmetrize density (0.01441s) started
T12 << 1462251835.72455096 Symmetrize density (0.01448s) stopped
T12 << 1462251835.72671700 Pseudo density (2168.90199s) stopped
T12 >> 1462251835.72677398 Atomic density matrices (538.28788s) started
T12 << 1462251838.95656991 Atomic density matrices (541.51767s) stopped
T12 >> 1462251838.95660090 Multipole moments (1.59004s) started
T12 << 1462251838.96660590 Multipole moments (1.60005s) stopped
T12 >> 1462251838.96663594 Normalize (1.18118s) started
T12 << 1462251838.97321701 Normalize (1.18776s) stopped
T12 >> 1462251838.97325206 Mix (73.09907s) started
T12 << 1462251839.42024589 Mix (73.54607s) stopped
T12 << 1462251839.42032099 Density (2786.76645s) stopped
T12 >> 1462251839.42035007 Hamiltonian (7715.21418s) started
T12 >> 1462251839.42036605 vbar (4.67898s) started
T12 << 1462251839.45115590 vbar (4.70977s) stopped
T12 >> 1462251839.45129204 XC 3D grid (4818.87570s) started
T12 >> 1462251839.92869091 van der Waals (4656.56552s) started
T12 >> 1462251840.04343295 semilocal (980.65260s) started
T12 << 1462251845.84556389 semilocal (986.45473s) stopped
T12 >> 1462251845.92126608 redistribute (496.55404s) started
T12 << 1462251846.92626095 redistribute (497.55903s) stopped
T12 >> 1462251846.92630506 libvdwxc nonlocal (3146.85855s) started
T12 << 1462251865.89868307 libvdwxc nonlocal (3165.83093s) stopped
T12 >> 1462251865.89874506 redistribute (497.55907s) started
T12 << 1462251867.55592108 redistribute (499.21624s) stopped
T12 << 1462251867.55712509 van der Waals (4684.19395s) stopped
T12 << 1462251868.01431799 XC 3D grid (4847.43873s) stopped
T12 >> 1462251868.01437712 Poisson (1196.85738s) started
T12 << 1462251872.45049596 Poisson (1201.29350s) stopped
T12 >> 1462251872.45060205 Hartree integrate/restrict (62.47120s) started
T12 << 1462251872.50103807 Hartree integrate/restrict (62.52164s) stopped
T12 >> 1462251872.50108194 Hartree integrate/restrict (62.52166s) started
T12 << 1462251872.81147790 Hartree integrate/restrict (62.83206s) stopped
T12 >> 1462251872.81167006 Atomic (404.57647s) started
T12 >> 1462251872.81327200 XC Correction (0.00573s) started
T12 << 1462251872.81329012 XC Correction (0.00575s) stopped
T12 << 1462251875.14978290 Atomic (406.91458s) stopped
T12 >> 1462251875.14986801 Communicate (1227.66770s) started
T12 << 1462251883.46142793 Communicate (1235.97926s) stopped
T12 << 1462251883.46146393 Hamiltonian (7759.25530s) stopped
T12 >> 1462251883.46148801 LCAO eigensolver (11373.21360s) started
T12 >> 1462251883.46150208 Potential matrix (173.93649s) started
T12 << 1462251884.41736698 Potential matrix (174.89235s) stopped
T12 >> 1462251884.41745496 DistributedAtomicCorrection (67.80347s) started
T12 << 1462251884.78517890 DistributedAtomicCorrection (68.17119s) stopped
T12 >> 1462251884.78522491 Distribute overlap matrix (1225.87565s) started
T12 >> 1462251884.78524995 blocked summation (695.66868s) started
T12 << 1462251888.63509989 blocked summation (699.51853s) stopped
T12 >> 1462251888.64598989 Scalapack redistribute (528.43546s) started
T12 << 1462251891.59269691 Scalapack redistribute (531.38217s) stopped
T12 << 1462251891.59280801 Distribute overlap matrix (1232.68324s) stopped
T12 >> 1462251891.59727597 Blacs Orbital Layouts (9594.58484s) started
T12 >> 1462251891.60532904 General diagonalize (9554.71285s) started
T12 << 1462251943.71119308 General diagonalize (9606.81872s) stopped
T12 >> 1462251943.71124196 Redistribute coefs (1.43099s) started
T12 << 1462251943.71975589 Redistribute coefs (1.43951s) stopped
T12 >> 1462251943.71980000 Send coefs to domains (36.83447s) started
T12 << 1462251944.07466006 Send coefs to domains (37.18933s) stopped
T12 << 1462251944.07490301 Blacs Orbital Layouts (9647.06247s) stopped
T12 >> 1462251944.07492995 Calculate projections (310.12998s) started
T12 << 1462251945.78034091 Calculate projections (311.83539s) stopped
T12 << 1462251945.78071308 LCAO eigensolver (11435.53282s) stopped
T12 >> 1462251948.91583490 Density (2786.76646s) started
T12 >> 1462251948.91584992 Pseudo density (2168.90204s) started
T12 >> 1462251948.91876006 Calculate density matrix (2038.48615s) started
T12 << 1462251960.85647392 Calculate density matrix (2050.42387s) stopped
T12 >> 1462251960.85652208 Construct density (126.98237s) started
T12 << 1462251961.60160494 Construct density (127.72745s) stopped
T12 >> 1462251961.61861396 Symmetrize density (0.01449s) started
T12 << 1462251961.61867905 Symmetrize density (0.01456s) stopped
T12 << 1462251961.62085295 Pseudo density (2181.60704s) stopped
T12 >> 1462251961.62090802 Atomic density matrices (541.51770s) started
T12 << 1462251964.87019706 Atomic density matrices (544.76699s) stopped
T12 >> 1462251964.87022901 Multipole moments (1.60006s) started
T12 << 1462251964.88017702 Multipole moments (1.61001s) stopped
T12 >> 1462251964.88020611 Normalize (1.18778s) started
T12 << 1462251964.88704801 Normalize (1.19462s) stopped
T12 >> 1462251964.88708496 Mix (73.54614s) started
T12 << 1462251965.31590009 Mix (73.97495s) stopped
T12 << 1462251965.31595492 Density (2803.16658s) stopped
T12 >> 1462251965.31598210 Hamiltonian (7759.25531s) started
T12 >> 1462251965.31599808 vbar (4.70985s) started
T12 << 1462251965.34765005 vbar (4.74150s) stopped
T12 >> 1462251965.34781098 XC 3D grid (4847.43877s) started
T12 >> 1462251965.82788110 van der Waals (4684.19398s) started
T12 >> 1462251965.94159603 semilocal (986.45482s) started
T12 << 1462251971.63018489 semilocal (992.14341s) stopped
T12 >> 1462251971.71361494 redistribute (499.21629s) started
T12 << 1462251972.79888010 redistribute (500.30156s) stopped
T12 >> 1462251972.79892397 libvdwxc nonlocal (3165.83097s) started
T12 << 1462251991.72782993 libvdwxc nonlocal (3184.75988s) stopped
T12 >> 1462251991.72787189 redistribute (500.30159s) started
T12 << 1462251993.46477604 redistribute (502.03850s) stopped
T12 << 1462251993.46596193 van der Waals (4711.83206s) stopped
T12 << 1462251993.92314005 XC 3D grid (4876.01410s) stopped
T12 >> 1462251993.92320395 Poisson (1201.29358s) started
T12 << 1462251998.31485105 Poisson (1205.68523s) stopped
T12 >> 1462251998.31495309 Hartree integrate/restrict (62.83211s) started
T12 << 1462251998.36365390 Hartree integrate/restrict (62.88081s) stopped
T12 >> 1462251998.36370993 Hartree integrate/restrict (62.88085s) started
T12 << 1462251998.68997312 Hartree integrate/restrict (63.20711s) stopped
T12 >> 1462251998.69012189 Atomic (406.91461s) started
T12 >> 1462251998.69166398 XC Correction (0.00576s) started
T12 << 1462251998.69167900 XC Correction (0.00577s) stopped
T12 << 1462252001.03600097 Atomic (409.26048s) stopped
T12 >> 1462252001.03608608 Communicate (1235.97929s) started
T12 << 1462252009.32072306 Communicate (1244.26392s) stopped
T12 << 1462252009.32075596 Hamiltonian (7803.26008s) stopped
T12 >> 1462252009.32077909 LCAO eigensolver (11435.53284s) started
T12 >> 1462252009.32079506 Potential matrix (174.89241s) started
T12 << 1462252010.27802491 Potential matrix (175.84964s) stopped
T12 >> 1462252010.27811098 DistributedAtomicCorrection (68.17123s) started
T12 << 1462252010.63868403 DistributedAtomicCorrection (68.53181s) stopped
T12 >> 1462252010.63873005 Distribute overlap matrix (1232.68325s) started
T12 >> 1462252010.63875508 blocked summation (699.51856s) started
T12 << 1462252014.49231505 blocked summation (703.37212s) stopped
T12 >> 1462252014.50296402 Scalapack redistribute (531.38223s) started
T12 << 1462252017.49989104 Scalapack redistribute (534.37916s) stopped
T12 << 1462252017.49999690 Distribute overlap matrix (1239.54452s) stopped
T12 >> 1462252017.50443697 Blacs Orbital Layouts (9647.06248s) started
T12 >> 1462252017.51235199 General diagonalize (9606.81876s) started
T12 << 1462252068.70958591 General diagonalize (9658.01599s) stopped
T12 >> 1462252068.70966601 Redistribute coefs (1.43954s) started
T12 << 1462252068.71893096 Redistribute coefs (1.44880s) stopped
T12 >> 1462252068.71897197 Send coefs to domains (37.18936s) started
T12 << 1462252068.80631995 Send coefs to domains (37.27671s) stopped
T12 << 1462252068.80654407 Blacs Orbital Layouts (9698.36459s) stopped
T12 >> 1462252068.80657101 Calculate projections (311.83544s) started
T12 << 1462252070.50992107 Calculate projections (313.53879s) stopped
T12 << 1462252070.51027203 LCAO eigensolver (11496.72233s) stopped
T12 >> 1462252073.64379311 Density (2803.16660s) started
T12 >> 1462252073.64380908 Pseudo density (2181.60709s) started
T12 >> 1462252073.64694595 Calculate density matrix (2050.42390s) started
T12 << 1462252085.59356809 Calculate density matrix (2062.37052s) stopped
T12 >> 1462252085.59361506 Construct density (127.72751s) started
T12 << 1462252086.33741903 Construct density (128.47131s) stopped
T12 >> 1462252086.35444903 Symmetrize density (0.01458s) started
T12 << 1462252086.35450697 Symmetrize density (0.01463s) stopped
T12 << 1462252086.35668802 Pseudo density (2194.31997s) stopped
T12 >> 1462252086.35674405 Atomic density matrices (544.76701s) started
T12 << 1462252089.59812498 Atomic density matrices (548.00839s) stopped
T12 >> 1462252089.59815788 Multipole moments (1.61003s) started
T12 << 1462252089.60864210 Multipole moments (1.62051s) stopped
T12 >> 1462252089.60867190 Normalize (1.19465s) started
T12 << 1462252089.61544991 Normalize (1.20143s) stopped
T12 >> 1462252089.61548805 Mix (73.97501s) started
T12 << 1462252090.02837110 Mix (74.38789s) stopped
T12 << 1462252090.02842689 Density (2819.55123s) stopped
T12 >> 1462252090.02845311 Hamiltonian (7803.26009s) started
T12 >> 1462252090.02846694 vbar (4.74160s) started
T12 << 1462252090.05346394 vbar (4.76660s) stopped
T12 >> 1462252090.05356312 XC 3D grid (4876.01416s) started
T12 >> 1462252090.66620994 van der Waals (4711.83209s) started
T12 >> 1462252090.77799511 semilocal (992.14353s) started
T12 << 1462252096.59271693 semilocal (997.95825s) stopped
T12 >> 1462252096.66813207 redistribute (502.03853s) started
T12 << 1462252097.65396595 redistribute (503.02437s) stopped
T12 >> 1462252097.65403008 libvdwxc nonlocal (3184.75991s) started
T12 << 1462252116.59957790 libvdwxc nonlocal (3203.70546s) stopped
T12 >> 1462252116.59963608 redistribute (503.02442s) started
T12 << 1462252118.30904388 redistribute (504.73382s) stopped
T12 << 1462252118.31019807 van der Waals (4739.47608s) stopped
T12 << 1462252118.77578211 XC 3D grid (4904.73638s) stopped
T12 >> 1462252118.77582598 Poisson (1205.68531s) started
T12 << 1462252123.16475105 Poisson (1210.07424s) stopped
T12 >> 1462252123.16483307 Hartree integrate/restrict (63.20714s) started
T12 << 1462252123.21407700 Hartree integrate/restrict (63.25639s) stopped
T12 >> 1462252123.21415496 Hartree integrate/restrict (63.25644s) started
T12 << 1462252123.53817391 Hartree integrate/restrict (63.58046s) stopped
T12 >> 1462252123.53833008 Atomic (409.26051s) started
T12 >> 1462252123.53992891 XC Correction (0.00578s) started
T12 << 1462252123.53995490 XC Correction (0.00581s) stopped
T12 << 1462252125.87896705 Atomic (411.60114s) stopped
T12 >> 1462252125.87904906 Communicate (1244.26395s) started
T12 << 1462252134.15064192 Communicate (1252.53554s) stopped
T12 << 1462252134.15067196 Hamiltonian (7847.38231s) stopped
T12 >> 1462252134.15069389 LCAO eigensolver (11496.72235s) started
T12 >> 1462252134.15070701 Potential matrix (175.84969s) started
T12 << 1462252135.10107803 Potential matrix (176.80006s) stopped
T12 >> 1462252135.10116506 DistributedAtomicCorrection (68.53184s) started
T12 << 1462252135.46211910 DistributedAtomicCorrection (68.89280s) stopped
T12 >> 1462252135.46216512 Distribute overlap matrix (1239.54453s) started
T12 >> 1462252135.46218991 blocked summation (703.37215s) started
T12 << 1462252139.32616401 blocked summation (707.23612s) stopped
T12 >> 1462252139.33526397 Scalapack redistribute (534.37922s) started
T12 << 1462252142.30249810 Scalapack redistribute (537.34645s) stopped
T12 << 1462252142.30260110 Distribute overlap matrix (1246.38496s) stopped
T12 >> 1462252142.30708790 Blacs Orbital Layouts (9698.36461s) started
T12 >> 1462252142.31565809 General diagonalize (9658.01606s) started
T12 << 1462252196.93949699 General diagonalize (9712.63990s) stopped
T12 >> 1462252196.93954802 Redistribute coefs (1.44884s) started
T12 << 1462252196.94868207 Redistribute coefs (1.45797s) stopped
T12 >> 1462252196.94873095 Send coefs to domains (37.27674s) started
T12 << 1462252197.81431198 Send coefs to domains (38.14232s) stopped
T12 << 1462252197.81451392 Blacs Orbital Layouts (9753.87204s) stopped
T12 >> 1462252197.81454206 Calculate projections (313.53884s) started
T12 << 1462252199.51824999 Calculate projections (315.24255s) stopped
T12 << 1462252199.51843691 LCAO eigensolver (11562.09009s) stopped
T12 >> 1462252202.68641710 Density (2819.55124s) started
T12 >> 1462252202.68643188 Pseudo density (2194.32001s) started
T12 >> 1462252202.68929911 Calculate density matrix (2062.37055s) started
T12 << 1462252214.66241002 Calculate density matrix (2074.34366s) stopped
T12 >> 1462252214.66246009 Construct density (128.47137s) started
T12 << 1462252215.40732288 Construct density (129.21623s) stopped
T12 >> 1462252215.42474699 Symmetrize density (0.01465s) started
T12 << 1462252215.42480803 Symmetrize density (0.01471s) stopped
T12 << 1462252215.42698789 Pseudo density (2207.06057s) stopped
T12 >> 1462252215.42704511 Atomic density matrices (548.00842s) started
T12 << 1462252218.63357401 Atomic density matrices (551.21495s) stopped
T12 >> 1462252218.63360500 Multipole moments (1.62053s) started
T12 << 1462252218.64382195 Multipole moments (1.63074s) stopped
T12 >> 1462252218.64385200 Normalize (1.20146s) started
T12 << 1462252218.65045190 Normalize (1.20806s) stopped
T12 >> 1462252218.65048695 Mix (74.38795s) started
T12 << 1462252219.12173605 Mix (74.85919s) stopped
T12 << 1462252219.12180805 Density (2835.98663s) stopped
T12 >> 1462252219.12184596 Hamiltonian (7847.38232s) started
T12 >> 1462252219.12186408 vbar (4.76666s) started
T12 << 1462252219.16695094 vbar (4.81175s) stopped
T12 >> 1462252219.16709495 XC 3D grid (4904.73641s) started
T12 >> 1462252219.61265397 van der Waals (4739.47610s) started
T12 >> 1462252219.72889996 semilocal (997.95832s) started
T12 << 1462252225.52928090 semilocal (1003.75870s) stopped
T12 >> 1462252225.60978103 redistribute (504.73388s) started
T12 << 1462252226.60257101 redistribute (505.72667s) stopped
T12 >> 1462252226.60262609 libvdwxc nonlocal (3203.70550s) started
T12 << 1462252244.94114208 libvdwxc nonlocal (3222.04402s) stopped
T12 >> 1462252244.94122601 redistribute (505.72671s) started
T12 << 1462252248.05126905 redistribute (508.83675s) stopped
T12 << 1462252248.05260491 van der Waals (4767.91605s) stopped
T12 << 1462252248.50965500 XC 3D grid (4934.07897s) stopped
T12 >> 1462252248.50970411 Poisson (1210.07430s) started
T12 << 1462252251.44414592 Poisson (1213.00874s) stopped
T12 >> 1462252251.44424295 Hartree integrate/restrict (63.58049s) started
T12 << 1462252251.48329806 Hartree integrate/restrict (63.61955s) stopped
T12 >> 1462252251.48342299 Hartree integrate/restrict (63.61964s) started
T12 << 1462252251.86585093 Hartree integrate/restrict (64.00207s) stopped
T12 >> 1462252251.86603403 Atomic (411.60116s) started
T12 >> 1462252251.86761308 XC Correction (0.00582s) started
T12 << 1462252251.86762810 XC Correction (0.00584s) stopped
T12 << 1462252254.20228601 Atomic (413.93742s) stopped
T12 >> 1462252254.20237589 Communicate (1252.53556s) started
T12 << 1462252262.56787300 Communicate (1260.90105s) stopped
T12 << 1462252262.56790900 Hamiltonian (7890.82839s) stopped
T12 >> 1462252262.56793404 LCAO eigensolver (11562.09011s) started
T12 >> 1462252262.56794810 Potential matrix (176.80011s) started
T12 << 1462252263.52797604 Potential matrix (177.76014s) stopped
T12 >> 1462252263.52807093 DistributedAtomicCorrection (68.89284s) started
T12 << 1462252263.89613605 DistributedAtomicCorrection (69.26090s) stopped
T12 >> 1462252263.89618397 Distribute overlap matrix (1246.38498s) started
T12 >> 1462252263.89621210 blocked summation (707.23615s) started
T12 << 1462252267.79280305 blocked summation (711.13274s) stopped
T12 >> 1462252267.80170798 Scalapack redistribute (537.34652s) started
T12 << 1462252270.79995608 Scalapack redistribute (540.34476s) stopped
T12 << 1462252270.80005193 Distribute overlap matrix (1253.28884s) stopped
T12 >> 1462252270.80550694 Blacs Orbital Layouts (9753.87205s) started
T12 >> 1462252270.81387210 General diagonalize (9712.63994s) started
T12 << 1462252324.84154892 General diagonalize (9766.66762s) stopped
T12 >> 1462252324.84159493 Redistribute coefs (1.45801s) started
T12 << 1462252324.85035706 Redistribute coefs (1.46677s) stopped
T12 >> 1462252324.85039806 Send coefs to domains (38.14236s) started
T12 << 1462252324.98582792 Send coefs to domains (38.27779s) stopped
T12 << 1462252324.98605800 Blacs Orbital Layouts (9808.05260s) stopped
T12 >> 1462252324.98608494 Calculate projections (315.24260s) started
T12 << 1462252326.68910599 Calculate projections (316.94562s) stopped
T12 << 1462252326.68933201 LCAO eigensolver (11626.21151s) stopped
T12 >> 1462252329.84250307 Density (2835.98665s) started
T12 >> 1462252329.84251904 Pseudo density (2207.06062s) started
T12 >> 1462252329.84536409 Calculate density matrix (2074.34370s) started
T12 << 1462252341.87650990 Calculate density matrix (2086.37484s) stopped
T12 >> 1462252341.87655711 Construct density (129.21628s) started
T12 << 1462252342.61914897 Construct density (129.95887s) stopped
T12 >> 1462252342.63637090 Symmetrize density (0.01473s) started
T12 << 1462252342.63642812 Symmetrize density (0.01478s) stopped
T12 << 1462252342.63859797 Pseudo density (2219.85669s) stopped
T12 >> 1462252342.63865304 Atomic density matrices (551.21497s) started
T12 << 1462252345.78924704 Atomic density matrices (554.36556s) stopped
T12 >> 1462252345.78927898 Multipole moments (1.63076s) started
T12 << 1462252345.80002189 Multipole moments (1.64150s) stopped
T12 >> 1462252345.80005097 Normalize (1.20808s) started
T12 << 1462252345.80669689 Normalize (1.21473s) stopped
T12 >> 1462252345.80673409 Mix (74.85927s) started
T12 << 1462252346.23982906 Mix (75.29236s) stopped
T12 << 1462252346.23986602 Density (2852.38401s) stopped
T12 >> 1462252346.23989010 Hamiltonian (7890.82840s) started
T12 >> 1462252346.23990393 vbar (4.81183s) started
T12 << 1462252346.27402711 vbar (4.84595s) stopped
T12 >> 1462252346.27420092 XC 3D grid (4934.07901s) started
T12 >> 1462252346.75175190 van der Waals (4767.91608s) started
T12 >> 1462252346.86479211 semilocal (1003.75881s) started
T12 << 1462252352.58256507 semilocal (1009.47658s) stopped
T12 >> 1462252352.65353608 redistribute (508.83680s) started
T12 << 1462252353.72127604 redistribute (509.90454s) stopped
T12 >> 1462252353.72132111 libvdwxc nonlocal (3222.04408s) started
T12 << 1462252372.05746388 libvdwxc nonlocal (3240.38023s) stopped
T12 >> 1462252372.05752802 redistribute (509.90457s) started
T12 << 1462252374.81562090 redistribute (512.66267s) stopped
T12 << 1462252374.81697893 van der Waals (4795.98131s) stopped
T12 << 1462252375.26938605 XC 3D grid (4963.07420s) stopped
T12 >> 1462252375.26944709 Poisson (1213.00881s) started
T12 << 1462252379.63607192 Poisson (1217.37544s) stopped
T12 >> 1462252379.63617611 Hartree integrate/restrict (64.00211s) started
T12 << 1462252379.68032193 Hartree integrate/restrict (64.04626s) stopped
T12 >> 1462252379.68036008 Hartree integrate/restrict (64.04629s) started
T12 << 1462252379.99903202 Hartree integrate/restrict (64.36496s) stopped
T12 >> 1462252379.99921989 Atomic (413.93744s) started
T12 >> 1462252380.00082588 XC Correction (0.00585s) started
T12 << 1462252380.00084090 XC Correction (0.00586s) stopped
T12 << 1462252382.33808088 Atomic (416.27630s) stopped
T12 >> 1462252382.33816504 Communicate (1260.90108s) started
T12 << 1462252390.82543802 Communicate (1269.38835s) stopped
T12 << 1462252390.82546711 Hamiltonian (7935.41398s) stopped
T12 >> 1462252390.82548904 LCAO eigensolver (11626.21153s) started
T12 >> 1462252390.82550097 Potential matrix (177.76019s) started
T12 << 1462252391.77225304 Potential matrix (178.70694s) stopped
T12 >> 1462252391.77234006 DistributedAtomicCorrection (69.26094s) started
T12 << 1462252392.13607097 DistributedAtomicCorrection (69.62467s) stopped
T12 >> 1462252392.13611794 Distribute overlap matrix (1253.28886s) started
T12 >> 1462252392.13614297 blocked summation (711.13280s) started
T12 << 1462252396.08600211 blocked summation (715.08265s) stopped
T12 >> 1462252396.09510207 Scalapack redistribute (540.34481s) started
T12 << 1462252399.07700992 Scalapack redistribute (543.32671s) stopped
T12 << 1462252399.07711697 Distribute overlap matrix (1260.22986s) stopped
T12 >> 1462252399.08157611 Blacs Orbital Layouts (9808.05262s) started
T12 >> 1462252399.08983207 General diagonalize (9766.66766s) started
T12 << 1462252450.33576798 General diagonalize (9817.91359s) stopped
T12 >> 1462252450.33581710 Redistribute coefs (1.46680s) started
T12 << 1462252450.34446502 Redistribute coefs (1.47545s) stopped
T12 >> 1462252450.34450507 Send coefs to domains (38.27783s) started
T12 << 1462252450.44863200 Send coefs to domains (38.38195s) stopped
T12 << 1462252450.44884896 Blacs Orbital Layouts (9859.41990s) stopped
T12 >> 1462252450.44887710 Calculate projections (316.94567s) started
T12 << 1462252452.15783691 Calculate projections (318.65463s) stopped
T12 << 1462252452.15802503 LCAO eigensolver (11687.54406s) stopped
T12 >> 1462252455.29627991 Density (2852.38402s) started
T12 >> 1462252455.29629493 Pseudo density (2219.85674s) started
T12 >> 1462252455.29931211 Calculate density matrix (2086.37487s) started
T12 << 1462252467.25832510 Calculate density matrix (2098.33389s) stopped
T12 >> 1462252467.25837493 Construct density (129.95892s) started
T12 << 1462252468.00245500 Construct density (130.70300s) stopped
T12 >> 1462252468.01973510 Symmetrize density (0.01480s) started
T12 << 1462252468.01979494 Symmetrize density (0.01486s) stopped
T12 << 1462252468.02196407 Pseudo density (2232.58241s) stopped
T12 >> 1462252468.02202010 Atomic density matrices (554.36559s) started
T12 << 1462252471.15491891 Atomic density matrices (557.49849s) stopped
T12 >> 1462252471.15495110 Multipole moments (1.64152s) started
T12 << 1462252471.16559410 Multipole moments (1.65216s) stopped
T12 >> 1462252471.16562295 Normalize (1.21476s) started
T12 << 1462252471.17245698 Normalize (1.22159s) stopped
T12 >> 1462252471.17249489 Mix (75.29240s) started
T12 << 1462252471.59321404 Mix (75.71312s) stopped
T12 << 1462252471.59326911 Density (2868.68101s) stopped
T12 >> 1462252471.59329391 Hamiltonian (7935.41399s) started
T12 >> 1462252471.59330702 vbar (4.84604s) started
T12 << 1462252471.62406993 vbar (4.87680s) stopped
T12 >> 1462252471.62419701 XC 3D grid (4963.07425s) started
T12 >> 1462252472.10686898 van der Waals (4795.98135s) started
T12 >> 1462252472.22108889 semilocal (1009.47666s) started
T12 << 1462252478.02467203 semilocal (1015.28024s) stopped
T12 >> 1462252478.10074806 redistribute (512.66270s) started
T12 << 1462252479.08062601 redistribute (513.64258s) stopped
T12 >> 1462252479.08066893 libvdwxc nonlocal (3240.38028s) started
T12 << 1462252498.02581406 libvdwxc nonlocal (3259.32542s) stopped
T12 >> 1462252498.02588105 redistribute (513.64262s) started
T12 << 1462252500.78109193 redistribute (516.39783s) stopped
T12 << 1462252500.78214598 van der Waals (4824.65663s) stopped
T12 << 1462252501.23931599 XC 3D grid (4992.68937s) stopped
T12 >> 1462252501.23935390 Poisson (1217.37552s) started
T12 << 1462252504.23356795 Poisson (1220.36973s) stopped
T12 >> 1462252504.23363590 Hartree integrate/restrict (64.36501s) started
T12 << 1462252504.28875089 Hartree integrate/restrict (64.42012s) stopped
T12 >> 1462252504.28880095 Hartree integrate/restrict (64.42016s) started
T12 << 1462252504.67648292 Hartree integrate/restrict (64.80784s) stopped
T12 >> 1462252504.67668009 Atomic (416.27632s) started
T12 >> 1462252504.67824602 XC Correction (0.00587s) started
T12 << 1462252504.67826104 XC Correction (0.00589s) stopped
T12 << 1462252507.01441002 Atomic (418.61405s) stopped
T12 >> 1462252507.01449394 Communicate (1269.38837s) started
T12 << 1462252515.47975612 Communicate (1277.85363s) stopped
T12 << 1462252515.47979903 Hamiltonian (7979.30049s) stopped
T12 >> 1462252515.47982311 LCAO eigensolver (11687.54408s) started
T12 >> 1462252515.47983599 Potential matrix (178.70699s) started
T12 << 1462252516.42414689 Potential matrix (179.65131s) stopped
T12 >> 1462252516.42423511 DistributedAtomicCorrection (69.62471s) started
T12 << 1462252516.79673409 DistributedAtomicCorrection (69.99721s) stopped
T12 >> 1462252516.79678512 Distribute overlap matrix (1260.22987s) started
T12 >> 1462252516.79680896 blocked summation (715.08269s) started
T12 << 1462252520.68596292 blocked summation (718.97184s) stopped
T12 >> 1462252520.69529891 Scalapack redistribute (543.32677s) started
T12 << 1462252523.70637798 Scalapack redistribute (546.33785s) stopped
T12 << 1462252523.70645404 Distribute overlap matrix (1267.13954s) stopped
T12 >> 1462252523.71140599 Blacs Orbital Layouts (9859.41992s) started
T12 >> 1462252523.71953607 General diagonalize (9817.91363s) started
T12 << 1462252574.83544803 General diagonalize (9869.02954s) stopped
T12 >> 1462252574.83549309 Redistribute coefs (1.47548s) started
T12 << 1462252574.84390903 Redistribute coefs (1.48389s) stopped
T12 >> 1462252574.84395099 Send coefs to domains (38.38199s) started
T12 << 1462252574.98689198 Send coefs to domains (38.52493s) stopped
T12 << 1462252574.98711300 Blacs Orbital Layouts (9910.69562s) stopped
T12 >> 1462252574.98713994 Calculate projections (318.65468s) started
T12 << 1462252576.69599605 Calculate projections (320.36354s) stopped
T12 << 1462252576.69618607 LCAO eigensolver (11748.76044s) stopped
T12 << 1462252579.82323503 SCF-cycle (23190.85469s) stopped
T12 >> 1462252582.01928711 Force calculation (737.58811s) started
T12 >> 1462252582.01935291 LCAO forces (729.26244s) started
T12 >> 1462252582.01970291 Initial (0.00022s) started
T12 << 1462252582.01971292 Initial (0.00023s) stopped
T12 >> 1462252582.02574706 Get density matrix (386.25510s) started
T12 << 1462252591.15196204 Get density matrix (395.38131s) stopped
T12 >> 1462252591.15200591 Potential (59.17210s) started
T12 << 1462252597.08263803 Potential (65.10273s) stopped
T12 >> 1462252597.08269191 Get density matrix (395.38135s) started
T12 << 1462252626.67700005 Get density matrix (424.97566s) stopped
T12 >> 1462252626.67705703 Prepare TCI loop (20.71801s) started
T12 >> 1462252626.67753506 Get neighbors (18.83239s) started
T12 << 1462252628.49628592 Get neighbors (20.65114s) stopped
T12 >> 1462252628.49721193 broadcast dH (1.87521s) started
T12 << 1462252628.73983002 broadcast dH (2.11782s) stopped
T12 << 1462252628.73987103 Prepare TCI loop (22.78082s) stopped
T12 >> 1462252628.73989010 Not so complicated loop (1.15760s) started
T12 << 1462252628.85284495 Not so complicated loop (1.27056s) stopped
T12 >> 1462252628.96541691 Complicated loop (170.47799s) started
T12 << 1462252646.34107590 Complicated loop (187.85365s) stopped
T12 >> 1462252646.34200311 Wait for sum (90.29192s) started
T12 << 1462252655.44745708 Wait for sum (99.39737s) stopped
T12 << 1462252655.44749188 LCAO forces (802.69058s) stopped
T12 << 1462252656.26621795 Force calculation (811.83504s) stopped
T12 >> 1462252656.28388810 Initialization (1247.53057s) started
T12 << 1462252656.28404903 Initialization (1247.53073s) stopped
T12 >> 1462252656.28426003 Initialization (1247.53075s) started
T12 << 1462252656.28438497 Initialization (1247.53087s) stopped
T12 >> 1462252656.28451610 Initialization (1247.53089s) started
T12 << 1462252656.28463793 Initialization (1247.53101s) stopped
T12 >> 1462252676.69089389 Initialization (1247.53103s) started
T12 >> 1462252676.69289708 Basic WFS set positions (0.88770s) started
T12 >> 1462252676.69291902 Redistribute (0.00438s) started
T12 << 1462252676.69304895 Redistribute (0.00451s) stopped
T12 << 1462252676.77681088 Basic WFS set positions (0.97161s) stopped
T12 >> 1462252676.77683806 Basis functions set positions (17.84873s) started
T12 << 1462252678.51306105 Basis functions set positions (19.58496s) stopped
T12 >> 1462252678.51338291 TCI: Calculate S, T, P (154.52116s) started
T12 << 1462252693.10694599 TCI: Calculate S, T, P (169.11472s) stopped
T12 >> 1462252693.10700107 blocked summation (186.64467s) started
T12 << 1462252711.29227805 blocked summation (204.82995s) stopped
T12 >> 1462252711.30134201 Scalapack redistribute (70.02053s) started
T12 << 1462252718.29595304 Scalapack redistribute (77.01514s) stopped
T12 >> 1462252718.29693198 blocked summation (204.82999s) started
T12 << 1462252719.42972493 blocked summation (205.96279s) stopped
T12 >> 1462252719.43919492 Scalapack redistribute (77.01517s) started
T12 << 1462252719.63801599 Scalapack redistribute (77.21400s) stopped
T12 >> 1462252719.63969994 Redistribute (0.00959s) started
T12 << 1462252719.64020801 Redistribute (0.01010s) stopped
T12 >> 1462252721.28163409 Redistribute (0.01012s) started
T12 << 1462252721.28206897 Redistribute (0.01055s) stopped
T12 >> 1462252721.29729390 LCAO WFS Initialize (793.00759s) started
T12 >> 1462252721.29733205 Density initialize from wavefunctions (141.66336s) started
T12 >> 1462252721.30151010 Calculate density matrix (99.04128s) started
T12 << 1462252731.15539908 Calculate density matrix (108.89517s) stopped
T12 >> 1462252731.15544701 Construct density (7.40483s) started
T12 << 1462252731.89691901 Construct density (8.14630s) stopped
T12 >> 1462252731.91127706 Symmetrize density (0.00082s) started
T12 << 1462252731.91134095 Symmetrize density (0.00088s) stopped
T12 << 1462252735.32026911 Density initialize from wavefunctions (155.68630s) stopped
T12 >> 1462252735.32066703 Hamiltonian (650.42818s) started
T12 >> 1462252735.32069111 vbar (0.34624s) started
T12 << 1462252735.34883499 vbar (0.37439s) stopped
T12 >> 1462252735.34890699 XC 3D grid (316.82660s) started
T12 >> 1462252735.86967897 van der Waals (306.49881s) started
T12 >> 1462252735.97915196 semilocal (63.79497s) started
T12 << 1462252741.78047800 semilocal (69.59630s) stopped
T12 >> 1462252741.85085607 redistribute (36.78706s) started
T12 << 1462252742.86069202 redistribute (37.79689s) stopped
T12 >> 1462252742.86073494 libvdwxc nonlocal (203.78819s) started
T12 << 1462252761.83630991 libvdwxc nonlocal (222.76377s) stopped
T12 >> 1462252761.83637190 redistribute (37.79693s) started
T12 << 1462252763.51666594 redistribute (39.47722s) stopped
T12 << 1462252763.51775908 van der Waals (334.14689s) stopped
T12 << 1462252763.96996689 XC 3D grid (345.44766s) stopped
T12 >> 1462252763.97003102 Poisson (197.32995s) started
T12 << 1462252777.34062099 Poisson (210.70054s) stopped
T12 >> 1462252777.34067011 Hartree integrate/restrict (4.06499s) started
T12 << 1462252777.40268993 Hartree integrate/restrict (4.12701s) stopped
T12 >> 1462252777.40274096 Hartree integrate/restrict (4.12704s) started
T12 << 1462252777.72050810 Hartree integrate/restrict (4.44481s) stopped
T12 >> 1462252777.72071791 Atomic (25.76094s) started
T12 >> 1462252777.72348309 XC Correction (0.00048s) started
T12 << 1462252777.72352099 XC Correction (0.00052s) stopped
T12 << 1462252780.03526902 Atomic (28.07549s) stopped
T12 >> 1462252780.03543901 Communicate (106.06876s) started
T12 << 1462252791.59109712 Communicate (117.62442s) stopped
T12 << 1462252791.59113312 Hamiltonian (706.69865s) stopped
T12 << 1462252791.59114695 LCAO WFS Initialize (863.30144s) stopped
T12 << 1462252791.60323095 Initialization (1362.44336s) stopped
T12 >> 1462252791.62885094 SCF-cycle (23190.85471s) started
T12 >> 1462252791.62888503 LCAO eigensolver (11748.76046s) started
T12 >> 1462252791.62889791 Potential matrix (179.65136s) started
T12 << 1462252792.58364105 Potential matrix (180.60610s) stopped
T12 >> 1462252792.58372998 DistributedAtomicCorrection (69.99725s) started
T12 << 1462252792.95654511 DistributedAtomicCorrection (70.37007s) stopped
T12 >> 1462252792.95659208 Distribute overlap matrix (1267.13955s) started
T12 >> 1462252792.95661712 blocked summation (718.97187s) started
T12 << 1462252797.05777907 blocked summation (723.07303s) stopped
T12 >> 1462252797.06738591 Scalapack redistribute (546.33789s) started
T12 << 1462252800.02383590 Scalapack redistribute (549.29434s) stopped
T12 << 1462252800.02396798 Distribute overlap matrix (1274.20693s) stopped
T12 >> 1462252800.02886605 Blacs Orbital Layouts (9910.69564s) started
T12 >> 1462252800.03700209 General diagonalize (9869.02958s) started
T12 << 1462252856.30982494 General diagonalize (9925.30240s) stopped
T12 >> 1462252856.30986905 Redistribute coefs (1.48393s) started
T12 << 1462252856.31720495 Redistribute coefs (1.49126s) stopped
T12 >> 1462252856.31728697 Send coefs to domains (38.52496s) started
T12 << 1462252856.52690196 Send coefs to domains (38.73458s) stopped
T12 << 1462252856.52720690 Blacs Orbital Layouts (9967.19398s) stopped
T12 >> 1462252856.52723503 Calculate projections (320.36359s) started
T12 << 1462252858.22756791 Calculate projections (322.06392s) stopped
T12 << 1462252858.22775412 LCAO eigensolver (11815.35933s) stopped
T12 >> 1462252861.43760800 Density (2868.68103s) started
T12 >> 1462252861.43762302 Pseudo density (2232.58245s) started
T12 >> 1462252861.43956494 Calculate density matrix (2098.33392s) started
T12 << 1462252873.23290396 Calculate density matrix (2110.12726s) stopped
T12 >> 1462252873.23295307 Construct density (130.70308s) started
T12 << 1462252873.97396111 Construct density (131.44409s) stopped
T12 >> 1462252873.98782492 Symmetrize density (0.01488s) started
T12 << 1462252873.98789191 Symmetrize density (0.01494s) stopped
T12 << 1462252873.98983788 Pseudo density (2245.13467s) stopped
T12 >> 1462252873.98989701 Atomic density matrices (557.49851s) started
T12 << 1462252877.20848799 Atomic density matrices (560.71710s) stopped
T12 >> 1462252877.20851898 Multipole moments (1.65218s) started
T12 << 1462252877.21951890 Multipole moments (1.66318s) stopped
T12 >> 1462252877.21954203 Normalize (1.22162s) started
T12 << 1462252877.22569990 Normalize (1.22778s) stopped
T12 >> 1462252877.22577095 Mix (75.71317s) started
T12 << 1462252877.60385299 Mix (76.09125s) stopped
T12 << 1462252877.60390306 Density (2884.84732s) stopped
T12 >> 1462252877.60393000 Hamiltonian (7979.30050s) started
T12 >> 1462252877.60394406 vbar (4.87688s) started
T12 << 1462252877.62496305 vbar (4.89790s) stopped
T12 >> 1462252877.62506700 XC 3D grid (4992.68940s) started
T12 >> 1462252878.14945793 van der Waals (4824.65665s) started
T12 >> 1462252878.25847101 semilocal (1015.28031s) started
T12 << 1462252884.05018401 semilocal (1021.07202s) stopped
T12 >> 1462252884.12769008 redistribute (516.39786s) started
T12 << 1462252885.10353994 redistribute (517.37371s) stopped
T12 >> 1462252885.10361409 libvdwxc nonlocal (3259.32547s) started
T12 << 1462252903.95214391 libvdwxc nonlocal (3278.17400s) stopped
T12 >> 1462252903.95220709 redistribute (517.37377s) started
T12 << 1462252905.75363398 redistribute (519.17520s) stopped
T12 << 1462252905.75528407 van der Waals (4852.26248s) stopped
T12 << 1462252906.20769501 XC 3D grid (5021.27203s) stopped
T12 >> 1462252906.20773602 Poisson (1220.36978s) started
T12 << 1462252914.92746592 Poisson (1229.08951s) stopped
T12 >> 1462252914.92757893 Hartree integrate/restrict (64.80790s) started
T12 << 1462252914.97139001 Hartree integrate/restrict (64.85171s) stopped
T12 >> 1462252914.97147894 Hartree integrate/restrict (64.85177s) started
T12 << 1462252915.30231595 Hartree integrate/restrict (65.18261s) stopped
T12 >> 1462252915.30249000 Atomic (418.61407s) started
T12 >> 1462252915.30442190 XC Correction (0.00590s) started
T12 << 1462252915.30444002 XC Correction (0.00592s) stopped
T12 << 1462252917.63602591 Atomic (420.94761s) stopped
T12 >> 1462252917.63620305 Communicate (1277.85366s) started
T12 << 1462252928.93090391 Communicate (1289.14836s) stopped
T12 << 1462252928.93093610 Hamiltonian (8030.62751s) stopped
T12 >> 1462252928.93095803 LCAO eigensolver (11815.35935s) started
T12 >> 1462252928.93097091 Potential matrix (180.60615s) started
T12 << 1462252929.88069391 Potential matrix (181.55587s) stopped
T12 >> 1462252929.88076401 DistributedAtomicCorrection (70.37011s) started
T12 << 1462252930.26013398 DistributedAtomicCorrection (70.74948s) stopped
T12 >> 1462252930.26017904 Distribute overlap matrix (1274.20694s) started
T12 >> 1462252930.26020288 blocked summation (723.07306s) started
T12 << 1462252934.17440104 blocked summation (726.98726s) stopped
T12 >> 1462252934.18499398 Scalapack redistribute (549.29440s) started
T12 << 1462252937.15563703 Scalapack redistribute (552.26505s) stopped
T12 << 1462252937.15572095 Distribute overlap matrix (1281.10248s) stopped
T12 >> 1462252937.15990210 Blacs Orbital Layouts (9967.19400s) started
T12 >> 1462252937.16826391 General diagonalize (9925.30244s) started
T12 << 1462252990.60844898 General diagonalize (9978.74263s) stopped
T12 >> 1462252990.60849404 Redistribute coefs (1.49133s) started
T12 << 1462252990.61558008 Redistribute coefs (1.49841s) stopped
T12 >> 1462252990.61565900 Send coefs to domains (38.73461s) started
T12 << 1462252990.71156812 Send coefs to domains (38.83052s) stopped
T12 << 1462252990.71177411 Blacs Orbital Layouts (10020.74588s) stopped
T12 >> 1462252990.71180892 Calculate projections (322.06397s) started
T12 << 1462252992.41234589 Calculate projections (323.76451s) stopped
T12 << 1462252992.41271901 LCAO eigensolver (11878.84111s) stopped
T12 >> 1462252995.62139893 Density (2884.84734s) started
T12 >> 1462252995.62141299 Pseudo density (2245.13471s) started
T12 >> 1462252995.62318110 Calculate density matrix (2110.12730s) started
T12 << 1462253007.51186991 Calculate density matrix (2122.01598s) stopped
T12 >> 1462253007.51191592 Construct density (131.44414s) started
T12 << 1462253008.25478792 Construct density (132.18701s) stopped
T12 >> 1462253008.26972604 Symmetrize density (0.01496s) started
T12 << 1462253008.26979804 Symmetrize density (0.01503s) stopped
T12 << 1462253008.27176189 Pseudo density (2257.78506s) stopped
T12 >> 1462253008.27185512 Atomic density matrices (560.71713s) started
T12 << 1462253011.53614497 Atomic density matrices (563.98142s) stopped
T12 >> 1462253011.53617692 Multipole moments (1.66319s) started
T12 << 1462253011.54701304 Multipole moments (1.67403s) stopped
T12 >> 1462253011.54703689 Normalize (1.22783s) started
T12 << 1462253011.55317593 Normalize (1.23397s) stopped
T12 >> 1462253011.55323005 Mix (76.09130s) started
T12 << 1462253011.94450903 Mix (76.48258s) stopped
T12 << 1462253011.94456100 Density (2901.17050s) stopped
T12 >> 1462253011.94458890 Hamiltonian (8030.62752s) started
T12 >> 1462253011.94460392 vbar (4.89796s) started
T12 << 1462253011.97228503 vbar (4.92564s) stopped
T12 >> 1462253011.97242403 XC 3D grid (5021.27206s) started
T12 >> 1462253012.46801591 van der Waals (4852.26251s) started
T12 >> 1462253012.57807207 semilocal (1021.07215s) started
T12 << 1462253018.36142397 semilocal (1026.85550s) stopped
T12 >> 1462253018.45069289 redistribute (519.17525s) started
T12 << 1462253019.43881798 redistribute (520.16337s) stopped
T12 >> 1462253019.43888307 libvdwxc nonlocal (3278.17405s) started
T12 << 1462253037.71361804 libvdwxc nonlocal (3296.44879s) stopped
T12 >> 1462253037.71366000 redistribute (520.16342s) started
T12 << 1462253039.45052695 redistribute (521.90029s) stopped
T12 << 1462253039.45231295 van der Waals (4879.24681s) stopped
T12 << 1462253039.90810204 XC 3D grid (5049.20774s) stopped
T12 >> 1462253039.90816498 Poisson (1229.08960s) started
T12 << 1462253047.02764511 Poisson (1236.20908s) stopped
T12 >> 1462253047.02772498 Hartree integrate/restrict (65.18266s) started
T12 << 1462253047.07206392 Hartree integrate/restrict (65.22700s) stopped
T12 >> 1462253047.07211089 Hartree integrate/restrict (65.22703s) started
T12 << 1462253047.38175797 Hartree integrate/restrict (65.53667s) stopped
T12 >> 1462253047.38193202 Atomic (420.94763s) started
T12 >> 1462253047.38367295 XC Correction (0.00593s) started
T12 << 1462253047.38368797 XC Correction (0.00594s) stopped
T12 << 1462253049.74457312 Atomic (423.31027s) stopped
T12 >> 1462253049.74473596 Communicate (1289.14838s) started
T12 << 1462253059.65772390 Communicate (1299.06137s) stopped
T12 << 1462253059.65775609 Hamiltonian (8078.34069s) stopped
T12 >> 1462253059.65777993 LCAO eigensolver (11878.84113s) started
T12 >> 1462253059.65779710 Potential matrix (181.55592s) started
T12 << 1462253060.60542607 Potential matrix (182.50354s) stopped
T12 >> 1462253060.60549593 DistributedAtomicCorrection (70.74952s) started
T12 << 1462253060.98037291 DistributedAtomicCorrection (71.12439s) stopped
T12 >> 1462253060.98042011 Distribute overlap matrix (1281.10249s) started
T12 >> 1462253060.98044395 blocked summation (726.98729s) started
T12 << 1462253064.86048388 blocked summation (730.86733s) stopped
T12 >> 1462253064.87073588 Scalapack redistribute (552.26508s) started
T12 << 1462253067.86941504 Scalapack redistribute (555.26376s) stopped
T12 << 1462253067.86951590 Distribute overlap matrix (1287.99159s) stopped
T12 >> 1462253067.87361097 Blacs Orbital Layouts (10020.74590s) started
T12 >> 1462253067.88189197 General diagonalize (9978.74266s) started
T12 << 1462253123.09637690 General diagonalize (10033.95715s) stopped
T12 >> 1462253123.09642911 Redistribute coefs (1.49848s) started
T12 << 1462253123.10500097 Redistribute coefs (1.50705s) stopped
T12 >> 1462253123.10505009 Send coefs to domains (38.83055s) started
T12 << 1462253123.24076891 Send coefs to domains (38.96627s) stopped
T12 << 1462253123.24105692 Blacs Orbital Layouts (10076.11334s) stopped
T12 >> 1462253123.24108601 Calculate projections (323.76456s) started
T12 << 1462253124.95533490 Calculate projections (325.47881s) stopped
T12 << 1462253124.95579791 LCAO eigensolver (11944.13915s) stopped
T12 >> 1462253128.14911199 Density (2901.17051s) started
T12 >> 1462253128.14912701 Pseudo density (2257.78514s) started
T12 >> 1462253128.15149498 Calculate density matrix (2122.01602s) started
T12 << 1462253140.12942791 Calculate density matrix (2133.99395s) stopped
T12 >> 1462253140.12948394 Construct density (132.18706s) started
T12 << 1462253140.87354589 Construct density (132.93112s) stopped
T12 >> 1462253140.89030910 Symmetrize density (0.01505s) started
T12 << 1462253140.89038706 Symmetrize density (0.01513s) stopped
T12 << 1462253140.89283895 Pseudo density (2270.52886s) stopped
T12 >> 1462253140.89290810 Atomic density matrices (563.98144s) started
T12 << 1462253144.06878209 Atomic density matrices (567.15732s) stopped
T12 >> 1462253144.06881905 Multipole moments (1.67404s) started
T12 << 1462253144.07960701 Multipole moments (1.68483s) stopped
T12 >> 1462253144.07962990 Normalize (1.23401s) started
T12 << 1462253144.08643293 Normalize (1.24081s) stopped
T12 >> 1462253144.08647895 Mix (76.48263s) started
T12 << 1462253144.46561790 Mix (76.86177s) stopped
T12 << 1462253144.46566796 Density (2917.48707s) stopped
T12 >> 1462253144.46569395 Hamiltonian (8078.34070s) started
T12 >> 1462253144.46570802 vbar (4.92573s) started
T12 << 1462253144.49768591 vbar (4.95771s) stopped
T12 >> 1462253144.49783707 XC 3D grid (5049.20779s) started
T12 >> 1462253144.96586895 van der Waals (4879.24685s) started
T12 >> 1462253145.08097005 semilocal (1026.85559s) started
T12 << 1462253150.82288194 semilocal (1032.59750s) stopped
T12 >> 1462253150.89394593 redistribute (521.90033s) started
T12 << 1462253151.91944695 redistribute (522.92583s) stopped
T12 >> 1462253151.91949701 libvdwxc nonlocal (3296.44882s) started
T12 << 1462253169.84511709 libvdwxc nonlocal (3314.37444s) stopped
T12 >> 1462253169.84516907 redistribute (522.92587s) started
T12 << 1462253171.76100802 redistribute (524.84171s) stopped
T12 << 1462253171.76217389 van der Waals (4906.04315s) stopped
T12 << 1462253172.21687293 XC 3D grid (5076.92683s) stopped
T12 >> 1462253172.21693611 Poisson (1236.20914s) started
T12 << 1462253182.08384204 Poisson (1246.07605s) stopped
T12 >> 1462253182.08395100 Hartree integrate/restrict (65.53672s) started
T12 << 1462253182.12177205 Hartree integrate/restrict (65.57455s) stopped
T12 >> 1462253182.12184691 Hartree integrate/restrict (65.57460s) started
T12 << 1462253182.44753909 Hartree integrate/restrict (65.90029s) stopped
T12 >> 1462253182.44771409 Atomic (423.31030s) started
T12 >> 1462253182.44947004 XC Correction (0.00595s) started
T12 << 1462253182.44948411 XC Correction (0.00597s) stopped
T12 << 1462253184.80452800 Atomic (425.66711s) stopped
T12 >> 1462253184.80467796 Communicate (1299.06139s) started
T12 << 1462253193.79289794 Communicate (1308.04961s) stopped
T12 << 1462253193.79292488 Hamiltonian (8127.66793s) stopped
T12 >> 1462253193.79294801 LCAO eigensolver (11944.13917s) started
T12 >> 1462253193.79295993 Potential matrix (182.50359s) started
T12 << 1462253194.75006509 Potential matrix (183.46069s) stopped
T12 >> 1462253194.75013399 DistributedAtomicCorrection (71.12443s) started
T12 << 1462253195.11984491 DistributedAtomicCorrection (71.49414s) stopped
T12 >> 1462253195.11988997 Distribute overlap matrix (1287.99160s) started
T12 >> 1462253195.11991405 blocked summation (730.86736s) started
T12 << 1462253199.08756995 blocked summation (734.83502s) stopped
T12 >> 1462253199.09702206 Scalapack redistribute (555.26381s) started
T12 << 1462253202.03325200 Scalapack redistribute (558.20004s) stopped
T12 << 1462253202.03332996 Distribute overlap matrix (1294.90504s) stopped
T12 >> 1462253202.03754306 Blacs Orbital Layouts (10076.11336s) started
T12 >> 1462253202.04610395 General diagonalize (10033.95719s) started
T12 << 1462253254.80202103 General diagonalize (10086.71311s) stopped
T12 >> 1462253254.80207491 Redistribute coefs (1.50709s) started
T12 << 1462253254.81069803 Redistribute coefs (1.51571s) stopped
T12 >> 1462253254.81074405 Send coefs to domains (38.96631s) started
T12 << 1462253255.01624990 Send coefs to domains (39.17181s) stopped
T12 << 1462253255.01644707 Blacs Orbital Layouts (10129.09227s) stopped
T12 >> 1462253255.01647592 Calculate projections (325.47886s) started
T12 << 1462253256.72198796 Calculate projections (327.18438s) stopped
T12 << 1462253256.72217607 LCAO eigensolver (12007.06839s) stopped
T12 >> 1462253259.91940808 Density (2917.48708s) started
T12 >> 1462253259.91942310 Pseudo density (2270.52891s) started
T12 >> 1462253259.92150593 Calculate density matrix (2133.99399s) started
T12 << 1462253271.78545690 Calculate density matrix (2145.85794s) stopped
T12 >> 1462253271.78550506 Construct density (132.93118s) started
T12 << 1462253272.52895689 Construct density (133.67463s) stopped
T12 >> 1462253272.54297304 Symmetrize density (0.01515s) started
T12 << 1462253272.54303098 Symmetrize density (0.01520s) stopped
T12 << 1462253272.54509091 Pseudo density (2283.15458s) stopped
T12 >> 1462253272.54515100 Atomic density matrices (567.15735s) started
T12 << 1462253275.72788405 Atomic density matrices (570.34008s) stopped
T12 >> 1462253275.72791600 Multipole moments (1.68485s) started
T12 << 1462253275.73870206 Multipole moments (1.69563s) stopped
T12 >> 1462253275.73872495 Normalize (1.24084s) started
T12 << 1462253275.74492097 Normalize (1.24704s) stopped
T12 >> 1462253275.74502611 Mix (76.86182s) started
T12 << 1462253276.14860797 Mix (77.26540s) stopped
T12 << 1462253276.14864802 Density (2933.71632s) stopped
T12 >> 1462253276.14867306 Hamiltonian (8127.66794s) started
T12 >> 1462253276.14868808 vbar (4.95780s) started
T12 << 1462253276.18079805 vbar (4.98991s) stopped
T12 >> 1462253276.18088698 XC 3D grid (5076.92688s) started
T12 >> 1462253276.65178895 van der Waals (4906.04319s) started
T12 >> 1462253276.75884390 semilocal (1032.59761s) started
T12 << 1462253282.51424909 semilocal (1038.35302s) stopped
T12 >> 1462253282.59702206 redistribute (524.84175s) started
T12 << 1462253283.67084002 redistribute (525.91557s) stopped
T12 >> 1462253283.67088294 libvdwxc nonlocal (3314.37448s) started
T12 << 1462253301.95618510 libvdwxc nonlocal (3332.65978s) stopped
T12 >> 1462253301.95625210 redistribute (525.91560s) started
T12 << 1462253303.72272301 redistribute (527.68207s) stopped
T12 << 1462253303.72354889 van der Waals (4933.11495s) stopped
T12 << 1462253304.17702794 XC 3D grid (5104.92302s) stopped
T12 >> 1462253304.17707610 Poisson (1246.07613s) started
T12 << 1462253312.80137205 Poisson (1254.70043s) stopped
T12 >> 1462253312.80149794 Hartree integrate/restrict (65.90034s) started
T12 << 1462253312.84707689 Hartree integrate/restrict (65.94592s) stopped
T12 >> 1462253312.84716201 Hartree integrate/restrict (65.94598s) started
T12 << 1462253313.16013098 Hartree integrate/restrict (66.25895s) stopped
T12 >> 1462253313.16030693 Atomic (425.66713s) started
T12 >> 1462253313.16194797 XC Correction (0.00598s) started
T12 << 1462253313.16196203 XC Correction (0.00599s) stopped
T12 << 1462253315.52542496 Atomic (428.03225s) stopped
T12 >> 1462253315.52556109 Communicate (1308.04963s) started
T12 << 1462253324.47852492 Communicate (1317.00259s) stopped
T12 << 1462253324.47855997 Hamiltonian (8175.99783s) stopped
T12 >> 1462253324.47858310 LCAO eigensolver (12007.06844s) started
T12 >> 1462253324.47859597 Potential matrix (183.46073s) started
T12 << 1462253325.42945695 Potential matrix (184.41159s) stopped
T12 >> 1462253325.42954302 DistributedAtomicCorrection (71.49418s) started
T12 << 1462253325.80233598 DistributedAtomicCorrection (71.86697s) stopped
T12 >> 1462253325.80238390 Distribute overlap matrix (1294.90505s) started
T12 >> 1462253325.80240893 blocked summation (734.83507s) started
T12 << 1462253329.73600411 blocked summation (738.76867s) stopped
T12 >> 1462253329.74600410 Scalapack redistribute (558.20010s) started
T12 << 1462253332.69566488 Scalapack redistribute (561.14976s) stopped
T12 << 1462253332.69577193 Distribute overlap matrix (1301.79844s) stopped
T12 >> 1462253332.70028090 Blacs Orbital Layouts (10129.09229s) started
T12 >> 1462253332.70847511 General diagonalize (10086.71315s) started
T12 << 1462253383.78144908 General diagonalize (10137.78612s) stopped
T12 >> 1462253383.78149390 Redistribute coefs (1.51575s) started
T12 << 1462253383.78875804 Redistribute coefs (1.52301s) stopped
T12 >> 1462253383.78882790 Send coefs to domains (39.17185s) started
T12 << 1462253383.91074800 Send coefs to domains (39.29377s) stopped
T12 << 1462253383.91092396 Blacs Orbital Layouts (10180.30293s) stopped
T12 >> 1462253383.91095090 Calculate projections (327.18442s) started
T12 << 1462253385.61410499 Calculate projections (328.88758s) stopped
T12 << 1462253385.61445904 LCAO eigensolver (12068.20432s) stopped
T12 >> 1462253388.85393810 Density (2933.71634s) started
T12 >> 1462253388.85395288 Pseudo density (2283.15463s) started
T12 >> 1462253388.85605502 Calculate density matrix (2145.85797s) started
T12 << 1462253400.74896693 Calculate density matrix (2157.75088s) stopped
T12 >> 1462253400.74901509 Construct density (133.67468s) started
T12 << 1462253401.49313307 Construct density (134.41880s) stopped
T12 >> 1462253401.50693607 Symmetrize density (0.01522s) started
T12 << 1462253401.50699210 Symmetrize density (0.01528s) stopped
T12 << 1462253401.50906205 Pseudo density (2295.80974s) stopped
T12 >> 1462253401.50911999 Atomic density matrices (570.34011s) started
T12 << 1462253404.62523603 Atomic density matrices (573.45622s) stopped
T12 >> 1462253404.62526798 Multipole moments (1.69565s) started
T12 << 1462253404.63598204 Multipole moments (1.70636s) stopped
T12 >> 1462253404.63601089 Normalize (1.24712s) started
T12 << 1462253404.64219403 Normalize (1.25331s) stopped
T12 >> 1462253404.64227295 Mix (77.26544s) started
T12 << 1462253405.06825209 Mix (77.69142s) stopped
T12 << 1462253405.06829500 Density (2949.93069s) stopped
T12 >> 1462253405.06831908 Hamiltonian (8175.99784s) started
T12 >> 1462253405.06833291 vbar (4.98996s) started
T12 << 1462253405.09845090 vbar (5.02008s) stopped
T12 >> 1462253405.09859490 XC 3D grid (5104.92306s) started
T12 >> 1462253405.57315898 van der Waals (4933.11497s) started
T12 >> 1462253405.68033504 semilocal (1038.35314s) started
T12 << 1462253411.36589599 semilocal (1044.03870s) stopped
T12 >> 1462253411.44850898 redistribute (527.68211s) started
T12 << 1462253412.51699710 redistribute (528.75060s) stopped
T12 >> 1462253412.51706195 libvdwxc nonlocal (3332.65983s) started
T12 << 1462253430.89979291 libvdwxc nonlocal (3351.04256s) stopped
T12 >> 1462253430.89983606 redistribute (528.75065s) started
T12 << 1462253432.60724211 redistribute (530.45805s) stopped
T12 << 1462253432.60832691 van der Waals (4960.15014s) stopped
T12 << 1462253433.05973697 XC 3D grid (5132.88420s) stopped
T12 >> 1462253433.05978703 Poisson (1254.70053s) started
T12 << 1462253438.74332595 Poisson (1260.38406s) stopped
T12 >> 1462253438.74345994 Hartree integrate/restrict (66.25900s) started
T12 << 1462253438.78880405 Hartree integrate/restrict (66.30435s) stopped
T12 >> 1462253438.78889704 Hartree integrate/restrict (66.30441s) started
T12 << 1462253439.10532904 Hartree integrate/restrict (66.62084s) stopped
T12 >> 1462253439.10550499 Atomic (428.03227s) started
T12 >> 1462253439.10706997 XC Correction (0.00600s) started
T12 << 1462253439.10708404 XC Correction (0.00602s) stopped
T12 << 1462253441.46845508 Atomic (430.39522s) stopped
T12 >> 1462253441.46858406 Communicate (1317.00262s) started
T12 << 1462253450.45587492 Communicate (1325.98991s) stopped
T12 << 1462253450.45591211 Hamiltonian (8221.38544s) stopped
T12 >> 1462253450.45593596 LCAO eigensolver (12068.20433s) started
T12 >> 1462253450.45594907 Potential matrix (184.41164s) started
T12 << 1462253451.40522504 Potential matrix (185.36092s) stopped
T12 >> 1462253451.40529299 DistributedAtomicCorrection (71.86701s) started
T12 << 1462253451.77774096 DistributedAtomicCorrection (72.23946s) stopped
T12 >> 1462253451.77778697 Distribute overlap matrix (1301.79845s) started
T12 >> 1462253451.77781391 blocked summation (738.76870s) started
T12 << 1462253455.79712892 blocked summation (742.78801s) stopped
T12 >> 1462253455.80682707 Scalapack redistribute (561.14982s) started
T12 << 1462253458.72566509 Scalapack redistribute (564.06866s) stopped
T12 << 1462253458.72575593 Distribute overlap matrix (1308.74642s) stopped
T12 >> 1462253458.72949505 Blacs Orbital Layouts (10180.30295s) started
T12 >> 1462253458.73746610 General diagonalize (10137.78616s) started
T12 << 1462253512.86317396 General diagonalize (10191.91187s) stopped
T12 >> 1462253512.86328292 Redistribute coefs (1.52307s) started
T12 << 1462253512.87148499 Redistribute coefs (1.53127s) stopped
T12 >> 1462253512.87154603 Send coefs to domains (39.29381s) started
T12 << 1462253513.00300503 Send coefs to domains (39.42527s) stopped
T12 << 1462253513.00319099 Blacs Orbital Layouts (10234.57665s) stopped
T12 >> 1462253513.00322294 Calculate projections (328.88762s) started
T12 << 1462253514.70691895 Calculate projections (330.59132s) stopped
T12 << 1462253514.70726895 LCAO eigensolver (12132.45567s) stopped
T12 >> 1462253517.91096997 Density (2949.93070s) started
T12 >> 1462253517.91098595 Pseudo density (2295.80978s) started
T12 >> 1462253517.91275406 Calculate density matrix (2157.75092s) started
T12 << 1462253529.84362411 Calculate density matrix (2169.68179s) stopped
T12 >> 1462253529.84367108 Construct density (134.41885s) started
T12 << 1462253530.58633590 Construct density (135.16152s) stopped
T12 >> 1462253530.60035491 Symmetrize density (0.01529s) started
T12 << 1462253530.60042000 Symmetrize density (0.01536s) stopped
T12 << 1462253530.60246611 Pseudo density (2308.50126s) stopped
T12 >> 1462253530.60252404 Atomic density matrices (573.45625s) started
T12 << 1462253533.86655498 Atomic density matrices (576.72028s) stopped
T12 >> 1462253533.86658692 Multipole moments (1.70638s) started
T12 << 1462253533.87742996 Multipole moments (1.71722s) stopped
T12 >> 1462253533.87745905 Normalize (1.25337s) started
T12 << 1462253533.88366199 Normalize (1.25957s) stopped
T12 >> 1462253533.88371706 Mix (77.69147s) started
T12 << 1462253534.30169106 Mix (78.10944s) stopped
T12 << 1462253534.30173492 Density (2966.32147s) stopped
T12 >> 1462253534.30175900 Hamiltonian (8221.38545s) started
T12 >> 1462253534.30177307 vbar (5.02016s) started
T12 << 1462253534.33484006 vbar (5.05323s) stopped
T12 >> 1462253534.33502793 XC 3D grid (5132.88424s) started
T12 >> 1462253534.82020497 van der Waals (4960.15017s) started
T12 >> 1462253534.92812490 semilocal (1044.03881s) started
T12 << 1462253540.63628602 semilocal (1049.74697s) stopped
T12 >> 1462253540.71463990 redistribute (530.45810s) started
T12 << 1462253541.76516891 redistribute (531.50863s) stopped
T12 >> 1462253541.76523495 libvdwxc nonlocal (3351.04260s) started
T12 << 1462253560.66165900 libvdwxc nonlocal (3369.93902s) stopped
T12 >> 1462253560.66172194 redistribute (531.50868s) started
T12 << 1462253562.35822701 redistribute (533.20519s) stopped
T12 << 1462253562.35942602 van der Waals (4987.68939s) stopped
T12 << 1462253562.81651902 XC 3D grid (5161.36573s) stopped
T12 >> 1462253562.81656003 Poisson (1260.38417s) started
T12 << 1462253570.11332512 Poisson (1267.68094s) stopped
T12 >> 1462253570.11341000 Hartree integrate/restrict (66.62089s) started
T12 << 1462253570.16886401 Hartree integrate/restrict (66.67635s) stopped
T12 >> 1462253570.16893697 Hartree integrate/restrict (66.67640s) started
T12 << 1462253570.47971797 Hartree integrate/restrict (66.98718s) stopped
T12 >> 1462253570.47990799 Atomic (430.39524s) started
T12 >> 1462253570.48153090 XC Correction (0.00603s) started
T12 << 1462253570.48155689 XC Correction (0.00605s) stopped
T12 << 1462253572.85127401 Atomic (432.76661s) stopped
T12 >> 1462253572.85137606 Communicate (1325.98993s) started
T12 << 1462253581.83017993 Communicate (1334.96874s) stopped
T12 << 1462253581.83022809 Hamiltonian (8268.91392s) stopped
T12 >> 1462253581.83025289 LCAO eigensolver (12132.45568s) started
T12 >> 1462253581.83026600 Potential matrix (185.36096s) started
T12 << 1462253582.77980709 Potential matrix (186.31050s) stopped
T12 >> 1462253582.77989197 DistributedAtomicCorrection (72.23950s) started
T12 << 1462253583.14219189 DistributedAtomicCorrection (72.60180s) stopped
T12 >> 1462253583.14223790 Distribute overlap matrix (1308.74643s) started
T12 >> 1462253583.14226198 blocked summation (742.78805s) started
T12 << 1462253587.16843295 blocked summation (746.81422s) stopped
T12 >> 1462253587.17857289 Scalapack redistribute (564.06871s) started
T12 << 1462253590.03171110 Scalapack redistribute (566.92185s) stopped
T12 << 1462253590.03179002 Distribute overlap matrix (1315.63599s) stopped
T12 >> 1462253590.03600597 Blacs Orbital Layouts (10234.57667s) started
T12 >> 1462253590.04427910 General diagonalize (10191.91197s) started
T12 << 1462253641.21742606 General diagonalize (10243.08511s) stopped
T12 >> 1462253641.21748090 Redistribute coefs (1.53132s) started
T12 << 1462253641.22608709 Redistribute coefs (1.53993s) stopped
T12 >> 1462253641.22613311 Send coefs to domains (39.42530s) started
T12 << 1462253641.33122993 Send coefs to domains (39.53039s) stopped
T12 << 1462253641.33156800 Blacs Orbital Layouts (10285.87223s) stopped
T12 >> 1462253641.33159709 Calculate projections (330.59137s) started
T12 << 1462253643.04661894 Calculate projections (332.30639s) stopped
T12 << 1462253643.04707909 LCAO eigensolver (12193.67251s) stopped
T12 >> 1462253646.24036694 Density (2966.32148s) started
T12 >> 1462253646.24038196 Pseudo density (2308.50131s) started
T12 >> 1462253646.24281192 Calculate density matrix (2169.68182s) started
T12 << 1462253658.16499996 Calculate density matrix (2181.60401s) stopped
T12 >> 1462253658.16505504 Construct density (135.16157s) started
T12 << 1462253658.91099501 Construct density (135.90751s) stopped
T12 >> 1462253658.92742109 Symmetrize density (0.01537s) started
T12 << 1462253658.92750096 Symmetrize density (0.01545s) stopped
T12 << 1462253658.92991090 Pseudo density (2321.19084s) stopped
T12 >> 1462253658.92998099 Atomic density matrices (576.72030s) started
T12 << 1462253662.07941294 Atomic density matrices (579.86973s) stopped
T12 >> 1462253662.07944989 Multipole moments (1.71724s) started
T12 << 1462253662.09020591 Multipole moments (1.72799s) stopped
T12 >> 1462253662.09023690 Normalize (1.25961s) started
T12 << 1462253662.09680104 Normalize (1.26618s) stopped
T12 >> 1462253662.09684896 Mix (78.10949s) started
T12 << 1462253662.52655602 Mix (78.53919s) stopped
T12 << 1462253662.52662396 Density (2982.60774s) stopped
T12 >> 1462253662.52665305 Hamiltonian (8268.91393s) started
T12 >> 1462253662.52666903 vbar (5.05334s) started
T12 << 1462253662.55799007 vbar (5.08466s) stopped
T12 >> 1462253662.55806899 XC 3D grid (5161.36576s) started
T12 >> 1462253663.05240393 van der Waals (4987.68941s) started
T12 >> 1462253663.15744805 semilocal (1049.74709s) started
T12 << 1462253668.87678790 semilocal (1055.46643s) stopped
T12 >> 1462253668.95280910 redistribute (533.20524s) started
T12 << 1462253670.04163790 redistribute (534.29407s) stopped
T12 >> 1462253670.04168892 libvdwxc nonlocal (3369.93907s) started
T12 << 1462253688.03025293 libvdwxc nonlocal (3387.92763s) stopped
T12 >> 1462253688.03033400 redistribute (534.29411s) started
T12 << 1462253690.05611205 redistribute (536.31989s) stopped
T12 << 1462253690.05731702 van der Waals (5014.69433s) stopped
T12 << 1462253690.50816989 XC 3D grid (5189.31586s) stopped
T12 >> 1462253690.50821805 Poisson (1267.68100s) started
T12 << 1462253696.22441101 Poisson (1273.39719s) stopped
T12 >> 1462253696.22451997 Hartree integrate/restrict (66.98723s) started
T12 << 1462253696.26215291 Hartree integrate/restrict (67.02487s) stopped
T12 >> 1462253696.26223993 Hartree integrate/restrict (67.02492s) started
T12 << 1462253696.58919907 Hartree integrate/restrict (67.35188s) stopped
T12 >> 1462253696.58935809 Atomic (432.76663s) started
T12 >> 1462253696.59123302 XC Correction (0.00607s) started
T12 << 1462253696.59127498 XC Correction (0.00611s) stopped
T12 << 1462253698.95581388 Atomic (435.13309s) stopped
T12 >> 1462253698.95590401 Communicate (1334.96876s) started
T12 << 1462253707.96290493 Communicate (1343.97576s) stopped
T12 << 1462253707.96294808 Hamiltonian (8314.35022s) stopped
T12 >> 1462253707.96297407 LCAO eigensolver (12193.67253s) started
T12 >> 1462253707.96298790 Potential matrix (186.31055s) started
T12 << 1462253708.92108393 Potential matrix (187.26865s) stopped
T12 >> 1462253708.92116308 DistributedAtomicCorrection (72.60184s) started
T12 << 1462253709.29067111 DistributedAtomicCorrection (72.97135s) stopped
T12 >> 1462253709.29075599 Distribute overlap matrix (1315.63600s) started
T12 >> 1462253709.29078388 blocked summation (746.81425s) started
T12 << 1462253713.24606109 blocked summation (750.76953s) stopped
T12 >> 1462253713.25557208 Scalapack redistribute (566.92191s) started
T12 << 1462253716.25253606 Scalapack redistribute (569.91887s) stopped
T12 << 1462253716.25267601 Distribute overlap matrix (1322.59792s) stopped
T12 >> 1462253716.25776100 Blacs Orbital Layouts (10285.87225s) started
T12 >> 1462253716.26594996 General diagonalize (10243.08516s) started
T12 << 1462253768.79872394 General diagonalize (10295.61793s) stopped
T12 >> 1462253768.79877591 Redistribute coefs (1.53996s) started
T12 << 1462253768.80708909 Redistribute coefs (1.54827s) stopped
T12 >> 1462253768.80713606 Send coefs to domains (39.53043s) started
T12 << 1462253768.90595293 Send coefs to domains (39.62925s) stopped
T12 << 1462253768.90618491 Blacs Orbital Layouts (10338.52067s) stopped
T12 >> 1462253768.90621805 Calculate projections (332.30645s) started
T12 << 1462253770.62075305 Calculate projections (334.02098s) stopped
T12 << 1462253770.62111712 LCAO eigensolver (12256.33067s) stopped
T12 >> 1462253773.85272002 Density (2982.60775s) started
T12 >> 1462253773.85273695 Pseudo density (2321.19089s) started
T12 >> 1462253773.85553002 Calculate density matrix (2181.60405s) started
T12 << 1462253785.69799805 Calculate density matrix (2193.44651s) stopped
T12 >> 1462253785.69805503 Construct density (135.90757s) started
T12 << 1462253786.44235992 Construct density (136.65187s) stopped
T12 >> 1462253786.45841503 Symmetrize density (0.01547s) started
T12 << 1462253786.45848107 Symmetrize density (0.01554s) stopped
T12 << 1462253786.46088600 Pseudo density (2333.79904s) stopped
T12 >> 1462253786.46095300 Atomic density matrices (579.86976s) started
T12 << 1462253789.72179508 Atomic density matrices (583.13060s) stopped
T12 >> 1462253789.72183490 Multipole moments (1.72801s) started
T12 << 1462253789.73262811 Multipole moments (1.73880s) stopped
T12 >> 1462253789.73265910 Normalize (1.26621s) started
T12 << 1462253789.74037004 Normalize (1.27392s) stopped
T12 >> 1462253789.74041605 Mix (78.53926s) started
T12 << 1462253790.19495797 Mix (78.99380s) stopped
T12 << 1462253790.19500899 Density (2998.95004s) stopped
T12 >> 1462253790.19503403 Hamiltonian (8314.35024s) started
T12 >> 1462253790.19504809 vbar (5.08470s) started
T12 << 1462253790.22486711 vbar (5.11452s) stopped
T12 >> 1462253790.22508693 XC 3D grid (5189.31590s) started
T12 >> 1462253790.70634604 van der Waals (5014.69437s) started
T12 >> 1462253790.82101703 semilocal (1055.46654s) started
T12 << 1462253796.53637505 semilocal (1061.18190s) stopped
T12 >> 1462253796.60942101 redistribute (536.31993s) started
T12 << 1462253797.66011500 redistribute (537.37062s) stopped
T12 >> 1462253797.66016603 libvdwxc nonlocal (3387.92770s) started
T12 << 1462253815.83696890 libvdwxc nonlocal (3406.10450s) stopped
T12 >> 1462253815.83703995 redistribute (537.37066s) started
T12 << 1462253817.78477311 redistribute (539.31840s) stopped
T12 << 1462253817.78602791 van der Waals (5041.77405s) stopped
T12 << 1462253818.23696709 XC 3D grid (5217.32778s) stopped
T12 >> 1462253818.23703194 Poisson (1273.39727s) started
T12 << 1462253822.55364108 Poisson (1277.71388s) stopped
T12 >> 1462253822.55372310 Hartree integrate/restrict (67.35192s) started
T12 << 1462253822.59148502 Hartree integrate/restrict (67.38968s) stopped
T12 >> 1462253822.59157205 Hartree integrate/restrict (67.38974s) started
T12 << 1462253822.91646600 Hartree integrate/restrict (67.71463s) stopped
T12 >> 1462253822.91665602 Atomic (435.13311s) started
T12 >> 1462253822.91837597 XC Correction (0.00612s) started
T12 << 1462253822.91840506 XC Correction (0.00615s) stopped
T12 << 1462253825.28711390 Atomic (437.50357s) stopped
T12 >> 1462253825.28719902 Communicate (1343.97579s) started
T12 << 1462253834.26241708 Communicate (1352.95101s) stopped
T12 << 1462253834.26244903 Hamiltonian (8358.41765s) stopped
T12 >> 1462253834.26247311 LCAO eigensolver (12256.33069s) started
T12 >> 1462253834.26248598 Potential matrix (187.26869s) started
T12 << 1462253835.22625589 Potential matrix (188.23246s) stopped
T12 >> 1462253835.22633791 DistributedAtomicCorrection (72.97142s) started
T12 << 1462253835.59827590 DistributedAtomicCorrection (73.34336s) stopped
T12 >> 1462253835.59832311 Distribute overlap matrix (1322.59793s) started
T12 >> 1462253835.59835005 blocked summation (750.76957s) started
T12 << 1462253839.54618692 blocked summation (754.71740s) stopped
T12 >> 1462253839.55577898 Scalapack redistribute (569.91895s) started
T12 << 1462253842.48653507 Scalapack redistribute (572.84970s) stopped
T12 << 1462253842.48668504 Distribute overlap matrix (1329.48630s) stopped
T12 >> 1462253842.49151611 Blacs Orbital Layouts (10338.52069s) started
T12 >> 1462253842.49942899 General diagonalize (10295.61797s) started
T12 << 1462253896.69465303 General diagonalize (10349.81320s) stopped
T12 >> 1462253896.69470000 Redistribute coefs (1.54831s) started
T12 << 1462253896.70225096 Redistribute coefs (1.55586s) stopped
T12 >> 1462253896.70232105 Send coefs to domains (39.62929s) started
T12 << 1462253896.84553003 Send coefs to domains (39.77250s) stopped
T12 << 1462253896.84580302 Blacs Orbital Layouts (10392.87498s) stopped
T12 >> 1462253896.84583211 Calculate projections (334.02104s) started
T12 << 1462253898.54867005 Calculate projections (335.72388s) stopped
T12 << 1462253898.54912400 LCAO eigensolver (12320.61735s) stopped
T12 >> 1462253901.76315689 Density (2998.95005s) started
T12 >> 1462253901.76317191 Pseudo density (2333.79910s) started
T12 >> 1462253901.76530099 Calculate density matrix (2193.44655s) started
T12 << 1462253914.11893892 Calculate density matrix (2205.80019s) stopped
T12 >> 1462253914.11898708 Construct density (136.65193s) started
T12 << 1462253914.86059690 Construct density (137.39354s) stopped
T12 >> 1462253914.87467599 Symmetrize density (0.01556s) started
T12 << 1462253914.87474203 Symmetrize density (0.01562s) stopped
T12 << 1462253914.87678909 Pseudo density (2346.91271s) stopped
T12 >> 1462253914.87684488 Atomic density matrices (583.13063s) started
T12 << 1462253918.06844902 Atomic density matrices (586.32223s) stopped
T12 >> 1462253918.06847906 Multipole moments (1.73882s) started
T12 << 1462253918.07929707 Multipole moments (1.74964s) stopped
T12 >> 1462253918.07932591 Normalize (1.27396s) started
T12 << 1462253918.08546495 Normalize (1.28010s) stopped
T12 >> 1462253918.08553696 Mix (78.99385s) started
T12 << 1462253918.48928094 Mix (79.39759s) stopped
T12 << 1462253918.48932600 Density (3015.67622s) stopped
T12 >> 1462253918.48935103 Hamiltonian (8358.41766s) started
T12 >> 1462253918.48936510 vbar (5.11464s) started
T12 << 1462253918.51369190 vbar (5.13897s) stopped
T12 >> 1462253918.51381397 XC 3D grid (5217.32784s) started
T12 >> 1462253919.02129102 van der Waals (5041.77407s) started
T12 >> 1462253919.12885809 semilocal (1061.18201s) started
T12 << 1462253924.84619594 semilocal (1066.89934s) stopped
T12 >> 1462253924.92592907 redistribute (539.31844s) started
T12 << 1462253925.98189306 redistribute (540.37440s) stopped
T12 >> 1462253925.98194909 libvdwxc nonlocal (3406.10455s) started
T12 << 1462253944.52790093 libvdwxc nonlocal (3424.65050s) stopped
T12 >> 1462253944.52796102 redistribute (540.37444s) started
T12 << 1462253946.23992801 redistribute (542.08641s) stopped
T12 << 1462253946.24102902 van der Waals (5068.99381s) stopped
T12 << 1462253946.69584489 XC 3D grid (5245.50987s) stopped
T12 >> 1462253946.69589210 Poisson (1277.71394s) started
T12 << 1462253951.10904098 Poisson (1282.12709s) stopped
T12 >> 1462253951.10913706 Hartree integrate/restrict (67.71469s) started
T12 << 1462253951.15772200 Hartree integrate/restrict (67.76327s) stopped
T12 >> 1462253951.15781498 Hartree integrate/restrict (67.76334s) started
T12 << 1462253951.46589899 Hartree integrate/restrict (68.07142s) stopped
T12 >> 1462253951.46607900 Atomic (437.50359s) started
T12 >> 1462253951.46772790 XC Correction (0.00617s) started
T12 << 1462253951.46774292 XC Correction (0.00618s) stopped
T12 << 1462253953.83313990 Atomic (439.87066s) stopped
T12 >> 1462253953.83322310 Communicate (1352.95103s) started
T12 << 1462253962.80069494 Communicate (1361.91850s) stopped
T12 << 1462253962.80073190 Hamiltonian (8402.72904s) stopped
T12 >> 1462253962.80075598 LCAO eigensolver (12320.61736s) started
T12 >> 1462253962.80076909 Potential matrix (188.23251s) started
T12 << 1462253963.75791502 Potential matrix (189.18965s) stopped
T12 >> 1462253963.75799799 DistributedAtomicCorrection (73.34340s) started
T12 << 1462253964.12979794 DistributedAtomicCorrection (73.71520s) stopped
T12 >> 1462253964.12984395 Distribute overlap matrix (1329.48631s) started
T12 >> 1462253964.12986708 blocked summation (754.71744s) started
T12 << 1462253968.07184505 blocked summation (758.65942s) stopped
T12 >> 1462253968.08187199 Scalapack redistribute (572.84978s) started
T12 << 1462253970.99062300 Scalapack redistribute (575.75853s) stopped
T12 << 1462253970.99072599 Distribute overlap matrix (1336.34719s) stopped
T12 >> 1462253970.99550700 Blacs Orbital Layouts (10392.87500s) started
T12 >> 1462253971.00368500 General diagonalize (10349.81324s) started
T12 << 1462254025.49797297 General diagonalize (10404.30752s) stopped
T12 >> 1462254025.49801898 Redistribute coefs (1.55592s) started
T12 << 1462254025.50560904 Redistribute coefs (1.56351s) stopped
T12 >> 1462254025.50567102 Send coefs to domains (39.77253s) started
T12 << 1462254025.60146689 Send coefs to domains (39.86833s) stopped
T12 << 1462254025.60166311 Blacs Orbital Layouts (10447.48116s) stopped
T12 >> 1462254025.60169601 Calculate projections (335.72393s) started
T12 << 1462254027.30518007 Calculate projections (337.42741s) stopped
T12 << 1462254027.30551195 LCAO eigensolver (12385.12212s) stopped
T12 >> 1462254030.51013803 Density (3015.67624s) started
T12 >> 1462254030.51015401 Pseudo density (2346.91276s) started
T12 >> 1462254030.51174307 Calculate density matrix (2205.80023s) started
T12 << 1462254042.38736701 Calculate density matrix (2217.67585s) stopped
T12 >> 1462254042.38741398 Construct density (137.39359s) started
T12 << 1462254043.13005710 Construct density (138.13623s) stopped
T12 >> 1462254043.14417696 Symmetrize density (0.01564s) started
T12 << 1462254043.14424109 Symmetrize density (0.01570s) stopped
T12 << 1462254043.14628291 Pseudo density (2359.54889s) stopped
T12 >> 1462254043.14633989 Atomic density matrices (586.32226s) started
T12 << 1462254046.34218788 Atomic density matrices (589.51811s) stopped
T12 >> 1462254046.34222102 Multipole moments (1.74965s) started
T12 << 1462254046.35309792 Multipole moments (1.76053s) stopped
T12 >> 1462254046.35312700 Normalize (1.28015s) started
T12 << 1462254046.35931396 Normalize (1.28634s) stopped
T12 >> 1462254046.35938311 Mix (79.39764s) started
T12 << 1462254046.77502894 Mix (79.81328s) stopped
T12 << 1462254046.77506995 Density (3031.94117s) stopped
T12 >> 1462254046.77509594 Hamiltonian (8402.72906s) started
T12 >> 1462254046.77511096 vbar (5.13904s) started
T12 << 1462254046.80067492 vbar (5.16460s) stopped
T12 >> 1462254046.80077505 XC 3D grid (5245.50990s) started
T12 >> 1462254047.31088090 van der Waals (5068.99385s) started
T12 >> 1462254047.41864204 semilocal (1066.89947s) started
T12 << 1462254053.16489100 semilocal (1072.64572s) stopped
T12 >> 1462254053.24309206 redistribute (542.08645s) started
T12 << 1462254054.29646397 redistribute (543.13982s) stopped
T12 >> 1462254054.29652905 libvdwxc nonlocal (3424.65055s) started
T12 << 1462254072.81940508 libvdwxc nonlocal (3443.17343s) stopped
T12 >> 1462254072.81946802 redistribute (543.13987s) started
T12 << 1462254074.47714210 redistribute (544.79754s) stopped
T12 << 1462254074.47827792 van der Waals (5096.16125s) stopped
T12 << 1462254074.92917800 XC 3D grid (5273.63831s) stopped
T12 >> 1462254074.92923594 Poisson (1282.12717s) started
T12 << 1462254079.27391195 Poisson (1286.47184s) stopped
T12 >> 1462254079.27403903 Hartree integrate/restrict (68.07148s) started
T12 << 1462254079.32240891 Hartree integrate/restrict (68.11985s) stopped
T12 >> 1462254079.32252097 Hartree integrate/restrict (68.11993s) started
T12 << 1462254079.63581800 Hartree integrate/restrict (68.43322s) stopped
T12 >> 1462254079.63599896 Atomic (439.87068s) started
T12 >> 1462254079.63755393 XC Correction (0.00622s) started
T12 << 1462254079.63757491 XC Correction (0.00624s) stopped
T12 << 1462254082.00722790 Atomic (442.24190s) stopped
T12 >> 1462254082.00730395 Communicate (1361.91852s) started
T12 << 1462254090.97310400 Communicate (1370.88432s) stopped
T12 << 1462254090.97313809 Hamiltonian (8446.92710s) stopped
T12 >> 1462254090.97316289 LCAO eigensolver (12385.12214s) started
T12 >> 1462254090.97317696 Potential matrix (189.18970s) started
T12 << 1462254091.92358088 Potential matrix (190.14011s) stopped
T12 >> 1462254091.92366600 DistributedAtomicCorrection (73.71523s) started
T12 << 1462254092.28418994 DistributedAtomicCorrection (74.07576s) stopped
T12 >> 1462254092.28423595 Distribute overlap matrix (1336.34721s) started
T12 >> 1462254092.28426003 blocked summation (758.65945s) started
T12 << 1462254096.18134904 blocked summation (762.55654s) stopped
T12 >> 1462254096.19107389 Scalapack redistribute (575.75858s) started
T12 << 1462254099.19411492 Scalapack redistribute (578.76162s) stopped
T12 << 1462254099.19416595 Distribute overlap matrix (1343.25714s) stopped
T12 >> 1462254099.19958401 Blacs Orbital Layouts (10447.48118s) started
T12 >> 1462254099.20761395 General diagonalize (10404.30756s) started
T12 << 1462254152.41379499 General diagonalize (10457.51374s) stopped
T12 >> 1462254152.41384411 Redistribute coefs (1.56356s) started
T12 << 1462254152.42150593 Redistribute coefs (1.57122s) stopped
T12 >> 1462254152.42157412 Send coefs to domains (39.86836s) started
T12 << 1462254152.57449603 Send coefs to domains (40.02128s) stopped
T12 << 1462254152.57469201 Blacs Orbital Layouts (10500.85628s) stopped
T12 >> 1462254152.57472396 Calculate projections (337.42746s) started
T12 << 1462254154.27772689 Calculate projections (339.13047s) stopped
T12 << 1462254154.27808189 LCAO eigensolver (12448.42706s) stopped
T12 >> 1462254157.48968291 Density (3031.94118s) started
T12 >> 1462254157.48969889 Pseudo density (2359.54893s) started
T12 >> 1462254157.49149299 Calculate density matrix (2217.67589s) started
T12 << 1462254169.24456191 Calculate density matrix (2229.42895s) stopped
T12 >> 1462254169.24461102 Construct density (138.13628s) started
T12 << 1462254169.98587704 Construct density (138.87755s) stopped
T12 >> 1462254169.99974489 Symmetrize density (0.01572s) started
T12 << 1462254169.99981308 Symmetrize density (0.01579s) stopped
T12 << 1462254170.00185704 Pseudo density (2372.06109s) stopped
T12 >> 1462254170.00191498 Atomic density matrices (589.51813s) started
T12 << 1462254173.26526809 Atomic density matrices (592.78148s) stopped
T12 >> 1462254173.26530004 Multipole moments (1.76055s) started
T12 << 1462254173.27569199 Multipole moments (1.77094s) stopped
T12 >> 1462254173.27572107 Normalize (1.28639s) started
T12 << 1462254173.28186393 Normalize (1.29253s) stopped
T12 >> 1462254173.28193402 Mix (79.81332s) started
T12 << 1462254173.69059491 Mix (80.22199s) stopped
T12 << 1462254173.69064498 Density (3048.14214s) stopped
T12 >> 1462254173.69067001 Hamiltonian (8446.92711s) started
T12 >> 1462254173.69068289 vbar (5.16466s) started
T12 << 1462254173.71283889 vbar (5.18682s) stopped
T12 >> 1462254173.71296501 XC 3D grid (5273.63836s) started
T12 >> 1462254174.21860695 van der Waals (5096.16128s) started
T12 >> 1462254174.32725906 semilocal (1072.64577s) started
T12 << 1462254180.13522696 semilocal (1078.45374s) stopped
T12 >> 1462254180.21403289 redistribute (544.79758s) started
T12 << 1462254181.17442012 redistribute (545.75796s) stopped
T12 >> 1462254181.17449188 libvdwxc nonlocal (3443.17348s) started
T12 << 1462254200.20526004 libvdwxc nonlocal (3462.20424s) stopped
T12 >> 1462254200.20530105 redistribute (545.75802s) started
T12 << 1462254201.86465693 redistribute (547.41737s) stopped
T12 << 1462254201.86579800 van der Waals (5123.80847s) stopped
T12 << 1462254202.31778193 XC 3D grid (5302.24317s) stopped
T12 >> 1462254202.31784892 Poisson (1286.47195s) started
T12 << 1462254205.28532696 Poisson (1289.43942s) stopped
T12 >> 1462254205.28538609 Hartree integrate/restrict (68.43328s) started
T12 << 1462254205.34013009 Hartree integrate/restrict (68.48802s) stopped
T12 >> 1462254205.34018898 Hartree integrate/restrict (68.48806s) started
T12 << 1462254205.65328789 Hartree integrate/restrict (68.80116s) stopped
T12 >> 1462254205.65346408 Atomic (442.24193s) started
T12 >> 1462254205.65506411 XC Correction (0.00625s) started
T12 << 1462254205.65508509 XC Correction (0.00627s) stopped
T12 << 1462254208.02309108 Atomic (444.61155s) stopped
T12 >> 1462254208.02317500 Communicate (1370.88434s) started
T12 << 1462254216.99880791 Communicate (1379.85998s) stopped
T12 << 1462254216.99884510 Hamiltonian (8490.23529s) stopped
T12 >> 1462254216.99886894 LCAO eigensolver (12448.42708s) started
T12 >> 1462254216.99888206 Potential matrix (190.14016s) started
T12 << 1462254217.94772792 Potential matrix (191.08900s) stopped
T12 >> 1462254217.94781899 DistributedAtomicCorrection (74.07580s) started
T12 << 1462254218.31725907 DistributedAtomicCorrection (74.44524s) stopped
T12 >> 1462254218.31730294 Distribute overlap matrix (1343.25715s) started
T12 >> 1462254218.31732702 blocked summation (762.55657s) started
T12 << 1462254222.18150711 blocked summation (766.42075s) stopped
T12 >> 1462254222.19192600 Scalapack redistribute (578.76166s) started
T12 << 1462254225.22453403 Scalapack redistribute (581.79427s) stopped
T12 << 1462254225.22461009 Distribute overlap matrix (1350.16445s) stopped
T12 >> 1462254225.22925496 Blacs Orbital Layouts (10500.85630s) started
T12 >> 1462254225.23738503 General diagonalize (10457.51378s) started
T12 << 1462254278.99855089 General diagonalize (10511.27495s) stopped
T12 >> 1462254278.99863005 Redistribute coefs (1.57127s) started
T12 << 1462254279.00791001 Redistribute coefs (1.58055s) stopped
T12 >> 1462254279.00795603 Send coefs to domains (40.02132s) started
T12 << 1462254279.14556408 Send coefs to domains (40.15893s) stopped
T12 << 1462254279.14595699 Blacs Orbital Layouts (10554.77301s) stopped
T12 >> 1462254279.14598703 Calculate projections (339.13052s) started
T12 << 1462254280.86029601 Calculate projections (340.84483s) stopped
T12 << 1462254280.86073709 LCAO eigensolver (12512.28894s) stopped
T12 >> 1462254284.05553102 Density (3048.14216s) started
T12 >> 1462254284.05554605 Pseudo density (2372.06114s) started
T12 >> 1462254284.05847096 Calculate density matrix (2229.42899s) started
T12 << 1462254296.07424998 Calculate density matrix (2241.44477s) stopped
T12 >> 1462254296.07430696 Construct density (138.87760s) started
T12 << 1462254296.81829596 Construct density (139.62159s) stopped
T12 >> 1462254296.83441401 Symmetrize density (0.01581s) started
T12 << 1462254296.83448005 Symmetrize density (0.01587s) stopped
T12 << 1462254296.83688593 Pseudo density (2384.84248s) stopped
T12 >> 1462254296.83695197 Atomic density matrices (592.78151s) started
T12 << 1462254300.06684089 Atomic density matrices (596.01140s) stopped
T12 >> 1462254300.06687689 Multipole moments (1.77095s) started
T12 << 1462254300.07774711 Multipole moments (1.78182s) stopped
T12 >> 1462254300.07777691 Normalize (1.29259s) started
T12 << 1462254300.08459210 Normalize (1.29940s) stopped
T12 >> 1462254300.08463693 Mix (80.22203s) started
T12 << 1462254300.50059104 Mix (80.63799s) stopped
T12 << 1462254300.50062799 Density (3064.58725s) stopped
T12 >> 1462254300.50065303 Hamiltonian (8490.23530s) started
T12 >> 1462254300.50066805 vbar (5.18689s) started
T12 << 1462254300.53781104 vbar (5.22404s) stopped
T12 >> 1462254300.53804588 XC 3D grid (5302.24323s) started
T12 >> 1462254301.01090407 van der Waals (5123.80849s) started
T12 >> 1462254301.12351298 semilocal (1078.45381s) started
T12 << 1462254306.84174299 semilocal (1084.17204s) stopped
T12 >> 1462254306.91451693 redistribute (547.41741s) started
T12 << 1462254307.95341992 redistribute (548.45631s) stopped
T12 >> 1462254307.95347190 libvdwxc nonlocal (3462.20428s) started
T12 << 1462254326.25501394 libvdwxc nonlocal (3480.50582s) stopped
T12 >> 1462254326.25508809 redistribute (548.45635s) started
T12 << 1462254328.28289700 redistribute (550.48416s) stopped
T12 << 1462254328.28435898 van der Waals (5151.08195s) stopped
T12 << 1462254328.73679399 XC 3D grid (5330.44198s) stopped
T12 >> 1462254328.73684311 Poisson (1289.43947s) started
T12 << 1462254333.06743693 Poisson (1293.77006s) stopped
T12 >> 1462254333.06754589 Hartree integrate/restrict (68.80121s) started
T12 << 1462254333.10499501 Hartree integrate/restrict (68.83865s) stopped
T12 >> 1462254333.10511398 Hartree integrate/restrict (68.83874s) started
T12 << 1462254333.42127705 Hartree integrate/restrict (69.15490s) stopped
T12 >> 1462254333.42146492 Atomic (444.61158s) started
T12 >> 1462254333.42308593 XC Correction (0.00628s) started
T12 << 1462254333.42310095 XC Correction (0.00630s) stopped
T12 << 1462254335.79372907 Atomic (446.98384s) stopped
T12 >> 1462254335.79381800 Communicate (1379.86000s) started
T12 << 1462254344.88625312 Communicate (1388.95244s) stopped
T12 << 1462254344.88628888 Hamiltonian (8534.62093s) stopped
T12 >> 1462254344.88631606 LCAO eigensolver (12512.28896s) started
T12 >> 1462254344.88632894 Potential matrix (191.08905s) started
T12 << 1462254345.83506894 Potential matrix (192.03779s) stopped
T12 >> 1462254345.83515000 DistributedAtomicCorrection (74.44527s) started
T12 << 1462254346.20619011 DistributedAtomicCorrection (74.81631s) stopped
T12 >> 1462254346.20623803 Distribute overlap matrix (1350.16447s) started
T12 >> 1462254346.20626497 blocked summation (766.42078s) started
T12 << 1462254350.12347007 blocked summation (770.33798s) stopped
T12 >> 1462254350.13382912 Scalapack redistribute (581.79430s) started
T12 << 1462254353.23391700 Scalapack redistribute (584.89439s) stopped
T12 << 1462254353.23403692 Distribute overlap matrix (1357.19227s) stopped
T12 >> 1462254353.23873591 Blacs Orbital Layouts (10554.77303s) started
T12 >> 1462254353.24702311 General diagonalize (10511.27501s) started
T12 << 1462254406.88285303 General diagonalize (10564.91084s) stopped
T12 >> 1462254406.88290811 Redistribute coefs (1.58059s) started
T12 << 1462254406.89102888 Redistribute coefs (1.58871s) stopped
T12 >> 1462254406.89107609 Send coefs to domains (40.15897s) started
T12 << 1462254406.99845910 Send coefs to domains (40.26635s) stopped
T12 << 1462254406.99864292 Blacs Orbital Layouts (10608.53293s) stopped
T12 >> 1462254406.99867892 Calculate projections (340.84489s) started
T12 << 1462254408.71495390 Calculate projections (342.56116s) stopped
T12 << 1462254408.71532393 LCAO eigensolver (12576.11797s) stopped
T12 >> 1462254411.91275096 Density (3064.58727s) started
T12 >> 1462254411.91276598 Pseudo density (2384.84253s) started
T12 >> 1462254411.91514993 Calculate density matrix (2241.44481s) started
T12 << 1462254423.74445295 Calculate density matrix (2253.27411s) stopped
T12 >> 1462254423.74450707 Construct density (139.62164s) started
T12 << 1462254424.48996305 Construct density (140.36710s) stopped
T12 >> 1462254424.50619292 Symmetrize density (0.01589s) started
T12 << 1462254424.50625896 Symmetrize density (0.01596s) stopped
T12 << 1462254424.50865293 Pseudo density (2397.43842s) stopped
T12 >> 1462254424.50872111 Atomic density matrices (596.01143s) started
T12 << 1462254427.67011809 Atomic density matrices (599.17282s) stopped
T12 >> 1462254427.67015505 Multipole moments (1.78184s) started
T12 << 1462254427.68059897 Multipole moments (1.79228s) stopped
T12 >> 1462254427.68063092 Normalize (1.29943s) started
T12 << 1462254427.68745995 Normalize (1.30626s) stopped
T12 >> 1462254427.68750310 Mix (80.63802s) started
T12 << 1462254428.15218997 Mix (81.10271s) stopped
T12 << 1462254428.15224195 Density (3080.82676s) stopped
T12 >> 1462254428.15226793 Hamiltonian (8534.62095s) started
T12 >> 1462254428.15228105 vbar (5.22416s) started
T12 << 1462254428.17731404 vbar (5.24919s) stopped
T12 >> 1462254428.17751789 XC 3D grid (5330.44202s) started
T12 >> 1462254428.65707588 van der Waals (5151.08199s) started
T12 >> 1462254428.77268791 semilocal (1084.17210s) started
T12 << 1462254434.46579099 semilocal (1089.86521s) stopped
T12 >> 1462254434.54442811 redistribute (550.48421s) started
T12 << 1462254435.61151695 redistribute (551.55130s) stopped
T12 >> 1462254435.61156797 libvdwxc nonlocal (3480.50587s) started
T12 << 1462254453.53029108 libvdwxc nonlocal (3498.42460s) stopped
T12 >> 1462254453.53036189 redistribute (551.55133s) started
T12 << 1462254455.49424410 redistribute (553.51522s) stopped
T12 << 1462254455.49529505 van der Waals (5177.92021s) stopped
T12 << 1462254455.94749689 XC 3D grid (5358.21200s) stopped
T12 >> 1462254455.94755697 Poisson (1293.77014s) started
T12 << 1462254460.22399592 Poisson (1298.04658s) stopped
T12 >> 1462254460.22410011 Hartree integrate/restrict (69.15495s) started
T12 << 1462254460.26178193 Hartree integrate/restrict (69.19263s) stopped
T12 >> 1462254460.26185703 Hartree integrate/restrict (69.19268s) started
T12 << 1462254460.58134389 Hartree integrate/restrict (69.51216s) stopped
T12 >> 1462254460.58154392 Atomic (446.98386s) started
T12 >> 1462254460.58313704 XC Correction (0.00631s) started
T12 << 1462254460.58315206 XC Correction (0.00632s) stopped
T12 << 1462254462.94715095 Atomic (449.34947s) stopped
T12 >> 1462254462.94723606 Communicate (1388.95246s) started
T12 << 1462254471.92848992 Communicate (1397.93371s) stopped
T12 << 1462254471.92853403 Hamiltonian (8578.39721s) stopped
T12 >> 1462254471.92856097 LCAO eigensolver (12576.11799s) started
T12 >> 1462254471.92857504 Potential matrix (192.03784s) started
T12 << 1462254472.89673209 Potential matrix (193.00600s) stopped
T12 >> 1462254472.89682698 DistributedAtomicCorrection (74.81635s) started
T12 << 1462254473.27045298 DistributedAtomicCorrection (75.18998s) stopped
T12 >> 1462254473.27049994 Distribute overlap matrix (1357.19228s) started
T12 >> 1462254473.27052689 blocked summation (770.33802s) started
T12 << 1462254477.14588809 blocked summation (774.21338s) stopped
T12 >> 1462254477.15687704 Scalapack redistribute (584.89445s) started
T12 << 1462254480.10819888 Scalapack redistribute (587.84577s) stopped
T12 << 1462254480.10828900 Distribute overlap matrix (1364.03007s) stopped
T12 >> 1462254480.11311102 Blacs Orbital Layouts (10608.53296s) started
T12 >> 1462254480.12189603 General diagonalize (10564.91088s) started
T12 << 1462254533.90068102 General diagonalize (10618.68967s) stopped
T12 >> 1462254533.90073609 Redistribute coefs (1.58875s) started
T12 << 1462254533.90888095 Redistribute coefs (1.59689s) stopped
T12 >> 1462254533.90892911 Send coefs to domains (40.26638s) started
T12 << 1462254534.00890708 Send coefs to domains (40.36636s) stopped
T12 << 1462254534.00910211 Blacs Orbital Layouts (10662.42895s) stopped
T12 >> 1462254534.00913191 Calculate projections (342.56122s) started
T12 << 1462254535.72319102 Calculate projections (344.27528s) stopped
T12 << 1462254535.72355700 LCAO eigensolver (12639.91299s) stopped
T12 << 1462254538.93309999 SCF-cycle (24938.15896s) stopped
T12 >> 1462254540.99854994 Force calculation (811.83506s) started
T12 >> 1462254540.99861908 LCAO forces (802.69059s) started
T12 >> 1462254540.99899411 Initial (0.00024s) started
T12 << 1462254540.99900603 Initial (0.00026s) stopped
T12 >> 1462254541.00513506 Get density matrix (424.97569s) started
T12 << 1462254550.12244201 Get density matrix (434.09300s) stopped
T12 >> 1462254550.12248993 Potential (65.10277s) started
T12 << 1462254556.03349900 Potential (71.01378s) stopped
T12 >> 1462254556.03355789 Get density matrix (434.09303s) started
T12 << 1462254585.91064692 Get density matrix (463.97012s) stopped
T12 >> 1462254585.91071510 Prepare TCI loop (22.78083s) started
T12 >> 1462254585.91122293 Get neighbors (20.65119s) started
T12 << 1462254587.82357192 Get neighbors (22.56354s) stopped
T12 >> 1462254587.82386804 broadcast dH (2.11785s) started
T12 << 1462254587.94034004 broadcast dH (2.23432s) stopped
T12 << 1462254587.94038796 Prepare TCI loop (24.81051s) stopped
T12 >> 1462254587.94040799 Not so complicated loop (1.27059s) started
T12 << 1462254588.05979896 Not so complicated loop (1.38998s) stopped
T12 >> 1462254588.17989302 Complicated loop (187.85368s) started
T12 << 1462254605.89772105 Complicated loop (205.57151s) stopped
T12 >> 1462254605.89858890 Wait for sum (99.39741s) started
T12 << 1462254615.24914598 Wait for sum (108.74797s) stopped
T12 << 1462254615.24919105 LCAO forces (876.94116s) stopped
T12 << 1462254616.08630610 Force calculation (886.92282s) stopped
T12 >> 1462254616.10428691 Initialization (1362.44338s) started
T12 << 1462254616.10445189 Initialization (1362.44354s) stopped
T12 >> 1462254616.10467005 Initialization (1362.44356s) started
T12 << 1462254616.10479498 Initialization (1362.44369s) stopped
T12 >> 1462254616.10493112 Initialization (1362.44370s) started
T12 << 1462254616.10505390 Initialization (1362.44382s) stopped
T12 >> 1462254636.42922091 Initialization (1362.44384s) started
T12 >> 1462254636.50376010 Basic WFS set positions (0.97163s) started
T12 >> 1462254636.50378704 Redistribute (0.00452s) started
T12 << 1462254636.50392509 Redistribute (0.00466s) stopped
T12 << 1462254636.58699989 Basic WFS set positions (1.05487s) stopped
T12 >> 1462254636.58702588 Basis functions set positions (19.58498s) started
T12 << 1462254638.32708502 Basis functions set positions (21.32504s) stopped
T12 >> 1462254638.32751393 TCI: Calculate S, T, P (169.11476s) started
T12 << 1462254652.81898999 TCI: Calculate S, T, P (183.60623s) stopped
T12 >> 1462254652.81905103 blocked summation (205.96282s) started
T12 << 1462254671.44073701 blocked summation (224.58451s) stopped
T12 >> 1462254671.45028996 Scalapack redistribute (77.21404s) started
T12 << 1462254678.67054701 Scalapack redistribute (84.43430s) stopped
T12 >> 1462254678.67162204 blocked summation (224.58455s) started
T12 << 1462254679.74188995 blocked summation (225.65482s) stopped
T12 >> 1462254679.75075006 Scalapack redistribute (84.43437s) started
T12 << 1462254679.96260905 Scalapack redistribute (84.64623s) stopped
T12 >> 1462254679.96466303 Redistribute (0.01057s) started
T12 << 1462254679.96520710 Redistribute (0.01111s) stopped
T12 >> 1462254681.58568907 Redistribute (0.01113s) started
T12 << 1462254681.58616710 Redistribute (0.01161s) stopped
T12 >> 1462254681.60725093 LCAO WFS Initialize (863.30146s) started
T12 >> 1462254681.60733008 Density initialize from wavefunctions (155.68637s) started
T12 >> 1462254681.61208296 Calculate density matrix (108.89520s) started
T12 << 1462254691.39116406 Calculate density matrix (118.67428s) stopped
T12 >> 1462254691.39122009 Construct density (8.14635s) started
T12 << 1462254692.13504505 Construct density (8.89018s) stopped
T12 >> 1462254692.14936900 Symmetrize density (0.00090s) started
T12 << 1462254692.14943504 Symmetrize density (0.00096s) stopped
T12 << 1462254695.73711991 Density initialize from wavefunctions (169.81616s) stopped
T12 >> 1462254695.73740196 Hamiltonian (706.69866s) started
T12 >> 1462254695.73742008 vbar (0.37442s) started
T12 << 1462254695.75952601 vbar (0.39653s) stopped
T12 >> 1462254695.75964308 XC 3D grid (345.44772s) started
T12 >> 1462254696.30896091 van der Waals (334.14693s) started
T12 >> 1462254696.42265010 semilocal (69.59637s) started
T12 << 1462254702.24112797 semilocal (75.41484s) stopped
T12 >> 1462254702.31670690 redistribute (39.47726s) started
T12 << 1462254703.30051589 redistribute (40.46107s) stopped
T12 >> 1462254703.30059695 libvdwxc nonlocal (222.76382s) started
T12 << 1462254721.37123489 libvdwxc nonlocal (240.83446s) stopped
T12 >> 1462254721.37131405 redistribute (40.46112s) started
T12 << 1462254724.12286806 redistribute (43.21268s) stopped
T12 << 1462254724.12399912 van der Waals (361.96197s) stopped
T12 << 1462254724.57045293 XC 3D grid (374.25853s) stopped
T12 >> 1462254724.57051492 Poisson (210.70058s) started
T12 << 1462254740.15082002 Poisson (226.28088s) stopped
T12 >> 1462254740.15089989 Hartree integrate/restrict (4.44487s) started
T12 << 1462254740.18860102 Hartree integrate/restrict (4.48257s) stopped
T12 >> 1462254740.18868804 Hartree integrate/restrict (4.48262s) started
T12 << 1462254740.50726199 Hartree integrate/restrict (4.80119s) stopped
T12 >> 1462254740.50744891 Atomic (28.07551s) started
T12 >> 1462254740.50946808 XC Correction (0.00053s) started
T12 << 1462254740.50948310 XC Correction (0.00054s) stopped
T12 << 1462254742.84114289 Atomic (30.40920s) stopped
T12 >> 1462254742.84133196 Communicate (117.62444s) started
T12 << 1462254753.97291398 Communicate (128.75602s) stopped
T12 << 1462254753.97295690 Hamiltonian (764.93421s) stopped
T12 << 1462254753.97297192 LCAO WFS Initialize (935.66718s) stopped
T12 << 1462254753.98516989 Initialization (1479.99979s) stopped
T12 >> 1462254754.01123405 SCF-cycle (24938.15898s) started
T12 >> 1462254754.01127291 LCAO eigensolver (12639.91301s) started
T12 >> 1462254754.01128602 Potential matrix (193.00605s) started
T12 << 1462254754.96837497 Potential matrix (193.96314s) stopped
T12 >> 1462254754.96847010 DistributedAtomicCorrection (75.19002s) started
T12 << 1462254755.34085608 DistributedAtomicCorrection (75.56240s) stopped
T12 >> 1462254755.34090590 Distribute overlap matrix (1364.03008s) started
T12 >> 1462254755.34093404 blocked summation (774.21342s) started
T12 << 1462254759.38408709 blocked summation (778.25657s) stopped
T12 >> 1462254759.39357090 Scalapack redistribute (587.84584s) started
T12 << 1462254762.56457496 Scalapack redistribute (591.01684s) stopped
T12 << 1462254762.56469011 Distribute overlap matrix (1371.25386s) stopped
T12 >> 1462254762.56918311 Blacs Orbital Layouts (10662.42897s) started
T12 >> 1462254762.57760692 General diagonalize (10618.68971s) started
T12 << 1462254814.94169998 General diagonalize (10671.05381s) stopped
T12 >> 1462254814.94174600 Redistribute coefs (1.59693s) started
T12 << 1462254814.94919300 Redistribute coefs (1.60437s) stopped
T12 >> 1462254814.94923592 Send coefs to domains (40.36640s) started
T12 << 1462254815.07797909 Send coefs to domains (40.49514s) stopped
T12 << 1462254815.07827997 Blacs Orbital Layouts (10714.93806s) stopped
T12 >> 1462254815.07830811 Calculate projections (344.27534s) started
T12 << 1462254816.78459811 Calculate projections (345.98163s) stopped
T12 << 1462254816.78483605 LCAO eigensolver (12702.68657s) stopped
T12 >> 1462254819.97893596 Density (3080.82677s) started
T12 >> 1462254819.97895098 Pseudo density (2397.43847s) started
T12 >> 1462254819.98166895 Calculate density matrix (2253.27415s) started
T12 << 1462254832.00255990 Calculate density matrix (2265.29504s) stopped
T12 >> 1462254832.00260901 Construct density (140.36716s) started
T12 << 1462254832.74888992 Construct density (141.11344s) stopped
T12 >> 1462254832.76507998 Symmetrize density (0.01598s) started
T12 << 1462254832.76514912 Symmetrize density (0.01604s) stopped
T12 << 1462254832.76761603 Pseudo density (2410.22714s) stopped
T12 >> 1462254832.76767612 Atomic density matrices (599.17285s) started
T12 << 1462254835.96159601 Atomic density matrices (602.36677s) stopped
T12 >> 1462254835.96162796 Multipole moments (1.79230s) started
T12 << 1462254835.97167802 Multipole moments (1.80235s) stopped
T12 >> 1462254835.97170210 Normalize (1.30630s) started
T12 << 1462254835.97879505 Normalize (1.31339s) stopped
T12 >> 1462254835.97883606 Mix (81.10276s) started
T12 << 1462254836.33177805 Mix (81.45570s) stopped
T12 << 1462254836.33183098 Density (3097.17966s) stopped
T12 >> 1462254836.33185506 Hamiltonian (8578.39722s) started
T12 >> 1462254836.33187008 vbar (5.24930s) started
T12 << 1462254836.35588598 vbar (5.27331s) stopped
T12 >> 1462254836.35599089 XC 3D grid (5358.21205s) started
T12 >> 1462254836.88838291 van der Waals (5177.92024s) started
T12 >> 1462254837.00412297 semilocal (1089.86532s) started
T12 << 1462254842.81242394 semilocal (1095.67362s) stopped
T12 >> 1462254842.88682008 redistribute (553.51526s) started
T12 << 1462254843.86065006 redistribute (554.48909s) stopped
T12 >> 1462254843.86069202 libvdwxc nonlocal (3498.42465s) started
T12 << 1462254862.46560001 libvdwxc nonlocal (3517.02956s) stopped
T12 >> 1462254862.46564007 redistribute (554.48912s) started
T12 << 1462254864.12033606 redistribute (556.14381s) stopped
T12 << 1462254864.12155104 van der Waals (5205.15341s) stopped
T12 << 1462254864.57664704 XC 3D grid (5386.43270s) stopped
T12 >> 1462254864.57668710 Poisson (1298.04666s) started
T12 << 1462254870.38258600 Poisson (1303.85256s) stopped
T12 >> 1462254870.38265109 Hartree integrate/restrict (69.51222s) started
T12 << 1462254870.43381691 Hartree integrate/restrict (69.56339s) stopped
T12 >> 1462254870.43386102 Hartree integrate/restrict (69.56341s) started
T12 << 1462254870.74826908 Hartree integrate/restrict (69.87782s) stopped
T12 >> 1462254870.74840999 Atomic (449.34949s) started
T12 >> 1462254870.75033903 XC Correction (0.00634s) started
T12 << 1462254870.75037193 XC Correction (0.00637s) stopped
T12 << 1462254873.09175992 Atomic (451.69284s) stopped
T12 >> 1462254873.09193897 Communicate (1397.93374s) started
T12 << 1462254884.02838111 Communicate (1408.87019s) stopped
T12 << 1462254884.02841711 Hamiltonian (8626.09379s) stopped
T12 >> 1462254884.02844310 LCAO eigensolver (12702.68659s) started
T12 >> 1462254884.02845597 Potential matrix (193.96319s) started
T12 << 1462254884.99085498 Potential matrix (194.92559s) stopped
T12 >> 1462254884.99092293 DistributedAtomicCorrection (75.56244s) started
T12 << 1462254885.37848401 DistributedAtomicCorrection (75.95000s) stopped
T12 >> 1462254885.37853098 Distribute overlap matrix (1371.25388s) started
T12 >> 1462254885.37855697 blocked summation (778.25663s) started
T12 << 1462254889.33746910 blocked summation (782.21554s) stopped
T12 >> 1462254889.34806705 Scalapack redistribute (591.01690s) started
T12 << 1462254892.57084894 Scalapack redistribute (594.23968s) stopped
T12 << 1462254892.57094097 Distribute overlap matrix (1378.44629s) stopped
T12 >> 1462254892.57547498 Blacs Orbital Layouts (10714.93808s) started
T12 >> 1462254892.58382797 General diagonalize (10671.05384s) started
T12 << 1462254943.63945389 General diagonalize (10722.10947s) stopped
T12 >> 1462254943.63949895 Redistribute coefs (1.60441s) started
T12 << 1462254943.64706492 Redistribute coefs (1.61197s) stopped
T12 >> 1462254943.64713097 Send coefs to domains (40.49517s) started
T12 << 1462254943.74894500 Send coefs to domains (40.59699s) stopped
T12 << 1462254943.74912190 Blacs Orbital Layouts (10766.11173s) stopped
T12 >> 1462254943.74914789 Calculate projections (345.98168s) started
T12 << 1462254945.45615101 Calculate projections (347.68868s) stopped
T12 << 1462254945.45633602 LCAO eigensolver (12764.11448s) stopped
T12 >> 1462254948.64944005 Density (3097.17968s) started
T12 >> 1462254948.64945507 Pseudo density (2410.22719s) started
T12 >> 1462254948.65225410 Calculate density matrix (2265.29507s) started
T12 << 1462254960.43646097 Calculate density matrix (2277.07928s) stopped
T12 >> 1462254960.43650794 Construct density (141.11349s) started
T12 << 1462254961.18295598 Construct density (141.85994s) stopped
T12 >> 1462254961.19920397 Symmetrize density (0.01606s) started
T12 << 1462254961.19928098 Symmetrize density (0.01614s) stopped
T12 << 1462254961.20172191 Pseudo density (2422.77945s) stopped
T12 >> 1462254961.20178509 Atomic density matrices (602.36680s) started
T12 << 1462254964.43823409 Atomic density matrices (605.60325s) stopped
T12 >> 1462254964.43826604 Multipole moments (1.80237s) started
T12 << 1462254964.44829392 Multipole moments (1.81240s) stopped
T12 >> 1462254964.44831705 Normalize (1.31342s) started
T12 << 1462254964.45631504 Normalize (1.32141s) stopped
T12 >> 1462254964.45636106 Mix (81.45576s) started
T12 << 1462254964.82527804 Mix (81.82467s) stopped
T12 << 1462254964.82533097 Density (3113.35557s) stopped
T12 >> 1462254964.82535505 Hamiltonian (8626.09380s) started
T12 >> 1462254964.82536888 vbar (5.27338s) started
T12 << 1462254964.85587096 vbar (5.30388s) stopped
T12 >> 1462254964.85606098 XC 3D grid (5386.43274s) started
T12 >> 1462254965.32397389 van der Waals (5205.15343s) started
T12 >> 1462254965.44030905 semilocal (1095.67372s) started
T12 << 1462254971.19533610 semilocal (1101.42874s) stopped
T12 >> 1462254971.27112198 redistribute (556.14386s) started
T12 << 1462254972.34504104 redistribute (557.21778s) stopped
T12 >> 1462254972.34511089 libvdwxc nonlocal (3517.02959s) started
T12 << 1462254990.53095293 libvdwxc nonlocal (3535.21543s) stopped
T12 >> 1462254990.53101611 redistribute (557.21784s) started
T12 << 1462254992.28257394 redistribute (558.96940s) stopped
T12 << 1462254992.28378201 van der Waals (5232.11324s) stopped
T12 << 1462254992.74182892 XC 3D grid (5414.31850s) stopped
T12 >> 1462254992.74189305 Poisson (1303.85261s) started
T12 << 1462255004.11142397 Poisson (1315.22214s) stopped
T12 >> 1462255004.11150408 Hartree integrate/restrict (69.87785s) started
T12 << 1462255004.15493894 Hartree integrate/restrict (69.92129s) stopped
T12 >> 1462255004.15499997 Hartree integrate/restrict (69.92133s) started
T12 << 1462255004.47066903 Hartree integrate/restrict (70.23700s) stopped
T12 >> 1462255004.47082496 Atomic (451.69287s) started
T12 >> 1462255004.47247291 XC Correction (0.00638s) started
T12 << 1462255004.47248697 XC Correction (0.00640s) stopped
T12 << 1462255006.82018495 Atomic (454.04223s) stopped
T12 >> 1462255006.82034397 Communicate (1408.87021s) started
T12 << 1462255016.50300694 Communicate (1418.55287s) stopped
T12 << 1462255016.50303292 Hamiltonian (8677.77148s) stopped
T12 >> 1462255016.50305510 LCAO eigensolver (12764.11450s) started
T12 >> 1462255016.50306702 Potential matrix (194.92563s) started
T12 << 1462255017.45384097 Potential matrix (195.87641s) stopped
T12 >> 1462255017.45391107 DistributedAtomicCorrection (75.95004s) started
T12 << 1462255017.82651901 DistributedAtomicCorrection (76.32265s) stopped
T12 >> 1462255017.82656598 Distribute overlap matrix (1378.44630s) started
T12 >> 1462255017.82659006 blocked summation (782.21557s) started
T12 << 1462255021.74288201 blocked summation (786.13186s) stopped
T12 >> 1462255021.75236201 Scalapack redistribute (594.23974s) started
T12 << 1462255024.75425506 Scalapack redistribute (597.24163s) stopped
T12 << 1462255024.75435710 Distribute overlap matrix (1385.37409s) stopped
T12 >> 1462255024.75871801 Blacs Orbital Layouts (10766.11175s) started
T12 >> 1462255024.76656103 General diagonalize (10722.10951s) started
T12 << 1462255078.24751091 General diagonalize (10775.59046s) stopped
T12 >> 1462255078.24756598 Redistribute coefs (1.61202s) started
T12 << 1462255078.25603294 Redistribute coefs (1.62049s) stopped
T12 >> 1462255078.25607896 Send coefs to domains (40.59702s) started
T12 << 1462255078.52115607 Send coefs to domains (40.86210s) stopped
T12 << 1462255078.52143097 Blacs Orbital Layouts (10819.87446s) stopped
T12 >> 1462255078.52146006 Calculate projections (347.68873s) started
T12 << 1462255080.23505092 Calculate projections (349.40232s) stopped
T12 << 1462255080.23529196 LCAO eigensolver (12827.84674s) stopped
T12 >> 1462255083.42586088 Density (3113.35558s) started
T12 >> 1462255083.42587709 Pseudo density (2422.77950s) started
T12 >> 1462255083.42838407 Calculate density matrix (2277.07931s) started
T12 << 1462255095.20445800 Calculate density matrix (2288.85538s) stopped
T12 >> 1462255095.20451498 Construct density (141.85999s) started
T12 << 1462255095.94853592 Construct density (142.60401s) stopped
T12 >> 1462255095.96240211 Symmetrize density (0.01616s) started
T12 << 1462255095.96247792 Symmetrize density (0.01623s) stopped
T12 << 1462255095.96458912 Pseudo density (2435.31821s) stopped
T12 >> 1462255095.96465802 Atomic density matrices (605.60327s) started
T12 << 1462255099.17674589 Atomic density matrices (608.81536s) stopped
T12 >> 1462255099.17678189 Multipole moments (1.81241s) started
T12 << 1462255099.18683910 Multipole moments (1.82247s) stopped
T12 >> 1462255099.18686295 Normalize (1.32145s) started
T12 << 1462255099.19300508 Normalize (1.32759s) stopped
T12 >> 1462255099.19306993 Mix (81.82473s) started
T12 << 1462255099.61945391 Mix (82.25111s) stopped
T12 << 1462255099.61949492 Density (3129.54921s) stopped
T12 >> 1462255099.61951900 Hamiltonian (8677.77149s) started
T12 >> 1462255099.61953306 vbar (5.30399s) started
T12 << 1462255099.64455605 vbar (5.32902s) stopped
T12 >> 1462255099.64471102 XC 3D grid (5414.31856s) started
T12 >> 1462255100.15084505 van der Waals (5232.11326s) started
T12 >> 1462255100.26560092 semilocal (1101.42882s) started
T12 << 1462255105.99579096 semilocal (1107.15901s) stopped
T12 >> 1462255106.07426095 redistribute (558.96945s) started
T12 << 1462255107.13094902 redistribute (560.02614s) stopped
T12 >> 1462255107.13100004 libvdwxc nonlocal (3535.21548s) started
T12 << 1462255124.98433495 libvdwxc nonlocal (3553.06881s) stopped
T12 >> 1462255124.98439693 redistribute (560.02618s) started
T12 << 1462255126.89226794 redistribute (561.93405s) stopped
T12 << 1462255126.89355206 van der Waals (5258.85597s) stopped
T12 << 1462255127.35936689 XC 3D grid (5442.03321s) stopped
T12 >> 1462255127.35941601 Poisson (1315.22220s) started
T12 << 1462255133.05080700 Poisson (1320.91359s) stopped
T12 >> 1462255133.05089808 Hartree integrate/restrict (70.23703s) started
T12 << 1462255133.08993912 Hartree integrate/restrict (70.27607s) stopped
T12 >> 1462255133.09002590 Hartree integrate/restrict (70.27613s) started
T12 << 1462255133.41352391 Hartree integrate/restrict (70.59962s) stopped
T12 >> 1462255133.41371298 Atomic (454.04225s) started
T12 >> 1462255133.41549897 XC Correction (0.00641s) started
T12 << 1462255133.41551399 XC Correction (0.00642s) stopped
T12 << 1462255135.79781389 Atomic (456.42635s) stopped
T12 >> 1462255135.79797912 Communicate (1418.55289s) started
T12 << 1462255144.72576904 Communicate (1427.48068s) stopped
T12 << 1462255144.72580600 Hamiltonian (8722.87777s) stopped
T12 >> 1462255144.72583508 LCAO eigensolver (12827.84676s) started
T12 >> 1462255144.72584891 Potential matrix (195.87645s) started
T12 << 1462255145.66843700 Potential matrix (196.81904s) stopped
T12 >> 1462255145.66852403 DistributedAtomicCorrection (76.32269s) started
T12 << 1462255146.03292894 DistributedAtomicCorrection (76.68709s) stopped
T12 >> 1462255146.03297591 Distribute overlap matrix (1385.37411s) started
T12 >> 1462255146.03300190 blocked summation (786.13189s) started
T12 << 1462255149.98993111 blocked summation (790.08882s) stopped
T12 >> 1462255149.99942589 Scalapack redistribute (597.24169s) started
T12 << 1462255152.99059391 Scalapack redistribute (600.23286s) stopped
T12 << 1462255152.99068999 Distribute overlap matrix (1392.33182s) stopped
T12 >> 1462255152.99533391 Blacs Orbital Layouts (10819.87448s) started
T12 >> 1462255153.00343609 General diagonalize (10775.59050s) started
T12 << 1462255203.86024404 General diagonalize (10826.44731s) stopped
T12 >> 1462255203.86029601 Redistribute coefs (1.62053s) started
T12 << 1462255203.86835289 Redistribute coefs (1.62858s) stopped
T12 >> 1462255203.86841011 Send coefs to domains (40.86213s) started
T12 << 1462255203.97258496 Send coefs to domains (40.96631s) stopped
T12 << 1462255203.97288394 Blacs Orbital Layouts (10870.85203s) stopped
T12 >> 1462255203.97291493 Calculate projections (349.40238s) started
T12 << 1462255205.68672490 Calculate projections (351.11619s) stopped
T12 << 1462255205.68713689 LCAO eigensolver (12888.80806s) stopped
T12 >> 1462255208.88362598 Density (3129.54923s) started
T12 >> 1462255208.88364196 Pseudo density (2435.31827s) started
T12 >> 1462255208.88616705 Calculate density matrix (2288.85542s) started
T12 << 1462255220.71614194 Calculate density matrix (2300.68540s) stopped
T12 >> 1462255220.71619701 Construct density (142.60407s) started
T12 << 1462255221.46199203 Construct density (143.34986s) stopped
T12 >> 1462255221.47578096 Symmetrize density (0.01625s) started
T12 << 1462255221.47586203 Symmetrize density (0.01633s) stopped
T12 << 1462255221.47797394 Pseudo density (2447.91260s) stopped
T12 >> 1462255221.47803998 Atomic density matrices (608.81539s) started
T12 << 1462255224.67411208 Atomic density matrices (612.01146s) stopped
T12 >> 1462255224.67414808 Multipole moments (1.82248s) started
T12 << 1462255224.68467212 Multipole moments (1.83301s) stopped
T12 >> 1462255224.68469501 Normalize (1.32764s) started
T12 << 1462255224.69091296 Normalize (1.33385s) stopped
T12 >> 1462255224.69105005 Mix (82.25115s) started
T12 << 1462255225.09569812 Mix (82.65580s) stopped
T12 << 1462255225.09575295 Density (3145.76135s) stopped
T12 >> 1462255225.09578109 Hamiltonian (8722.87779s) started
T12 >> 1462255225.09579611 vbar (5.32911s) started
T12 << 1462255225.12482309 vbar (5.35814s) stopped
T12 >> 1462255225.12498093 XC 3D grid (5442.03325s) started
T12 >> 1462255225.60878491 van der Waals (5258.85601s) started
T12 >> 1462255225.72366595 semilocal (1107.15912s) started
T12 << 1462255231.55925298 semilocal (1112.99471s) stopped
T12 >> 1462255231.63387108 redistribute (561.93409s) started
T12 << 1462255232.58346105 redistribute (562.88368s) stopped
T12 >> 1462255232.58351207 libvdwxc nonlocal (3553.06886s) started
T12 << 1462255250.63846302 libvdwxc nonlocal (3571.12381s) stopped
T12 >> 1462255250.63852191 redistribute (562.88372s) started
T12 << 1462255252.54022503 redistribute (564.78542s) stopped
T12 << 1462255252.54135609 van der Waals (5285.78858s) stopped
T12 << 1462255253.01051211 XC 3D grid (5469.91878s) stopped
T12 >> 1462255253.01055789 Poisson (1320.91366s) started
T12 << 1462255260.17272401 Poisson (1328.07583s) stopped
T12 >> 1462255260.17279410 Hartree integrate/restrict (70.59968s) started
T12 << 1462255260.21204090 Hartree integrate/restrict (70.63893s) stopped
T12 >> 1462255260.21211696 Hartree integrate/restrict (70.63897s) started
T12 << 1462255260.53077888 Hartree integrate/restrict (70.95764s) stopped
T12 >> 1462255260.53097796 Atomic (456.42638s) started
T12 >> 1462255260.53265810 XC Correction (0.00643s) started
T12 << 1462255260.53267288 XC Correction (0.00645s) stopped
T12 << 1462255262.90936089 Atomic (458.80476s) stopped
T12 >> 1462255262.90951395 Communicate (1427.48070s) started
T12 << 1462255271.80835605 Communicate (1436.37955s) stopped
T12 << 1462255271.80839801 Hamiltonian (8769.59041s) stopped
T12 >> 1462255271.80842400 LCAO eigensolver (12888.80808s) started
T12 >> 1462255271.80843711 Potential matrix (196.81908s) started
T12 << 1462255272.75468802 Potential matrix (197.76534s) stopped
T12 >> 1462255272.75477099 DistributedAtomicCorrection (76.68713s) started
T12 << 1462255273.13042498 DistributedAtomicCorrection (77.06279s) stopped
T12 >> 1462255273.13047409 Distribute overlap matrix (1392.33184s) started
T12 >> 1462255273.13050199 blocked summation (790.08886s) started
T12 << 1462255277.07138801 blocked summation (794.02974s) stopped
T12 >> 1462255277.08098197 Scalapack redistribute (600.23290s) started
T12 << 1462255280.09769392 Scalapack redistribute (603.24961s) stopped
T12 << 1462255280.09778595 Distribute overlap matrix (1399.29915s) stopped
T12 >> 1462255280.10247707 Blacs Orbital Layouts (10870.85205s) started
T12 >> 1462255280.11085606 General diagonalize (10826.44735s) started
T12 << 1462255334.02220201 General diagonalize (10880.35869s) stopped
T12 >> 1462255334.02225399 Redistribute coefs (1.62863s) started
T12 << 1462255334.03067803 Redistribute coefs (1.63705s) stopped
T12 >> 1462255334.03073597 Send coefs to domains (40.96634s) started
T12 << 1462255334.15805411 Send coefs to domains (41.09366s) stopped
T12 << 1462255334.15825510 Blacs Orbital Layouts (10924.90783s) stopped
T12 >> 1462255334.15828705 Calculate projections (351.11625s) started
T12 << 1462255335.87606192 Calculate projections (352.83403s) stopped
T12 << 1462255335.87645411 LCAO eigensolver (12952.87611s) stopped
T12 >> 1462255339.03738999 Density (3145.76137s) started
T12 >> 1462255339.03740597 Pseudo density (2447.91265s) started
T12 >> 1462255339.03962493 Calculate density matrix (2300.68544s) started
T12 << 1462255351.00018907 Calculate density matrix (2312.64600s) stopped
T12 >> 1462255351.00024509 Construct density (143.34992s) started
T12 << 1462255351.74762988 Construct density (144.09731s) stopped
T12 >> 1462255351.76192403 Symmetrize density (0.01635s) started
T12 << 1462255351.76200604 Symmetrize density (0.01644s) stopped
T12 << 1462255351.76412892 Pseudo density (2460.63938s) stopped
T12 >> 1462255351.76419711 Atomic density matrices (612.01149s) started
T12 << 1462255354.97984910 Atomic density matrices (615.22714s) stopped
T12 >> 1462255354.97988510 Multipole moments (1.83302s) started
T12 << 1462255354.99041605 Multipole moments (1.84355s) stopped
T12 >> 1462255354.99044609 Normalize (1.33397s) started
T12 << 1462255354.99678111 Normalize (1.34031s) stopped
T12 >> 1462255354.99685097 Mix (82.65585s) started
T12 << 1462255355.42866302 Mix (83.08767s) stopped
T12 << 1462255355.42870808 Density (3162.15269s) stopped
T12 >> 1462255355.42873096 Hamiltonian (8769.59042s) started
T12 >> 1462255355.42874503 vbar (5.35823s) started
T12 << 1462255355.45896101 vbar (5.38844s) stopped
T12 >> 1462255355.45913792 XC 3D grid (5469.91882s) started
T12 >> 1462255355.93234992 van der Waals (5285.78861s) started
T12 >> 1462255356.04584694 semilocal (1112.99479s) started
T12 << 1462255361.76896191 semilocal (1118.71791s) stopped
T12 >> 1462255361.84873199 redistribute (564.78546s) started
T12 << 1462255362.89129591 redistribute (565.82802s) stopped
T12 >> 1462255362.89134002 libvdwxc nonlocal (3571.12386s) started
T12 << 1462255380.90510297 libvdwxc nonlocal (3589.13762s) stopped
T12 >> 1462255380.90515304 redistribute (565.82806s) started
T12 << 1462255382.69459105 redistribute (567.61750s) stopped
T12 << 1462255382.69572306 van der Waals (5312.55198s) stopped
T12 << 1462255383.29599309 XC 3D grid (5497.75568s) stopped
T12 >> 1462255383.29603505 Poisson (1328.07588s) started
T12 << 1462255390.40938401 Poisson (1335.18923s) stopped
T12 >> 1462255390.40946198 Hartree integrate/restrict (70.95769s) started
T12 << 1462255390.45102406 Hartree integrate/restrict (70.99926s) stopped
T12 >> 1462255390.45107293 Hartree integrate/restrict (70.99929s) started
T12 << 1462255390.76731610 Hartree integrate/restrict (71.31553s) stopped
T12 >> 1462255390.76744699 Atomic (458.80479s) started
T12 >> 1462255390.76904893 XC Correction (0.00646s) started
T12 << 1462255390.76906395 XC Correction (0.00648s) stopped
T12 << 1462255393.13886094 Atomic (461.17620s) stopped
T12 >> 1462255393.13898611 Communicate (1436.37957s) started
T12 << 1462255402.05364799 Communicate (1445.29424s) stopped
T12 << 1462255402.05367994 Hamiltonian (8816.21537s) stopped
T12 >> 1462255402.05370307 LCAO eigensolver (12952.87613s) started
T12 >> 1462255402.05371594 Potential matrix (197.76538s) started
T12 << 1462255402.99821401 Potential matrix (198.70988s) stopped
T12 >> 1462255402.99828696 DistributedAtomicCorrection (77.06282s) started
T12 << 1462255403.36836696 DistributedAtomicCorrection (77.43290s) stopped
T12 >> 1462255403.36841202 Distribute overlap matrix (1399.29916s) started
T12 >> 1462255403.36843610 blocked summation (794.02980s) started
T12 << 1462255407.38197803 blocked summation (798.04334s) stopped
T12 >> 1462255407.39088202 Scalapack redistribute (603.24967s) started
T12 << 1462255410.32572198 Scalapack redistribute (606.18451s) stopped
T12 << 1462255410.32577300 Distribute overlap matrix (1406.25652s) stopped
T12 >> 1462255410.33073401 Blacs Orbital Layouts (10924.90785s) started
T12 >> 1462255410.33888698 General diagonalize (10880.35873s) started
T12 << 1462255462.79087996 General diagonalize (10932.81073s) stopped
T12 >> 1462255462.79092407 Redistribute coefs (1.63710s) started
T12 << 1462255462.79799294 Redistribute coefs (1.64417s) stopped
T12 >> 1462255462.79809189 Send coefs to domains (41.09370s) started
T12 << 1462255462.93388605 Send coefs to domains (41.22949s) stopped
T12 << 1462255462.93410802 Blacs Orbital Layouts (10977.51122s) stopped
T12 >> 1462255462.93413591 Calculate projections (352.83408s) started
T12 << 1462255464.63715696 Calculate projections (354.53711s) stopped
T12 << 1462255464.63733792 LCAO eigensolver (13015.45976s) stopped
T12 >> 1462255467.80757999 Density (3162.15270s) started
T12 >> 1462255467.80759597 Pseudo density (2460.63943s) started
T12 >> 1462255467.81045699 Calculate density matrix (2312.64604s) started
T12 << 1462255479.66394997 Calculate density matrix (2324.49953s) stopped
T12 >> 1462255479.66399598 Construct density (144.09736s) started
T12 << 1462255480.40799403 Construct density (144.84136s) stopped
T12 >> 1462255480.42428493 Symmetrize density (0.01645s) started
T12 << 1462255480.42435193 Symmetrize density (0.01652s) stopped
T12 << 1462255480.42676997 Pseudo density (2473.25860s) stopped
T12 >> 1462255480.42682910 Atomic density matrices (615.22717s) started
T12 << 1462255483.67901397 Atomic density matrices (618.47935s) stopped
T12 >> 1462255483.67904711 Multipole moments (1.84357s) started
T12 << 1462255483.68972611 Multipole moments (1.85425s) stopped
T12 >> 1462255483.68975401 Normalize (1.34036s) started
T12 << 1462255483.69649196 Normalize (1.34710s) stopped
T12 >> 1462255483.69652891 Mix (83.08771s) started
T12 << 1462255484.12451410 Mix (83.51569s) stopped
T12 << 1462255484.12455201 Density (3178.46967s) stopped
T12 >> 1462255484.12457490 Hamiltonian (8816.21538s) started
T12 >> 1462255484.12458897 vbar (5.38855s) started
T12 << 1462255484.14990997 vbar (5.41387s) stopped
T12 >> 1462255484.15004706 XC 3D grid (5497.75571s) started
T12 >> 1462255484.64105105 van der Waals (5312.55201s) started
T12 >> 1462255484.75283790 semilocal (1118.71800s) started
T12 << 1462255490.50694895 semilocal (1124.47211s) stopped
T12 >> 1462255490.58505702 redistribute (567.61753s) started
T12 << 1462255491.62903690 redistribute (568.66151s) stopped
T12 >> 1462255491.62907910 libvdwxc nonlocal (3589.13766s) started
T12 << 1462255509.88776207 libvdwxc nonlocal (3607.39634s) stopped
T12 >> 1462255509.88794994 redistribute (568.66154s) started
T12 << 1462255512.41141510 redistribute (571.18501s) stopped
T12 << 1462255512.41251707 van der Waals (5340.32347s) stopped
T12 << 1462255512.88367891 XC 3D grid (5526.48934s) stopped
T12 >> 1462255512.88372207 Poisson (1335.18929s) started
T12 << 1462255518.58989596 Poisson (1340.89546s) stopped
T12 >> 1462255518.58996511 Hartree integrate/restrict (71.31556s) started
T12 << 1462255518.63393402 Hartree integrate/restrict (71.35953s) stopped
T12 >> 1462255518.63401604 Hartree integrate/restrict (71.35959s) started
T12 << 1462255518.94878101 Hartree integrate/restrict (71.67435s) stopped
T12 >> 1462255518.94895697 Atomic (461.17622s) started
T12 >> 1462255518.95056295 XC Correction (0.00649s) started
T12 << 1462255518.95057797 XC Correction (0.00650s) stopped
T12 << 1462255521.32521892 Atomic (463.55248s) stopped
T12 >> 1462255521.32532597 Communicate (1445.29426s) started
T12 << 1462255530.24389410 Communicate (1454.21282s) stopped
T12 << 1462255530.24393106 Hamiltonian (8862.33474s) stopped
T12 >> 1462255530.24395609 LCAO eigensolver (13015.45978s) started
T12 >> 1462255530.24396896 Potential matrix (198.70992s) started
T12 << 1462255531.19893003 Potential matrix (199.66488s) stopped
T12 >> 1462255531.19900298 DistributedAtomicCorrection (77.43294s) started
T12 << 1462255531.56538105 DistributedAtomicCorrection (77.79932s) stopped
T12 >> 1462255531.56542897 Distribute overlap matrix (1406.25653s) started
T12 >> 1462255531.56545401 blocked summation (798.04339s) started
T12 << 1462255535.47008491 blocked summation (801.94802s) stopped
T12 >> 1462255535.47895908 Scalapack redistribute (606.18455s) started
T12 << 1462255538.52254009 Scalapack redistribute (609.22813s) stopped
T12 << 1462255538.52261710 Distribute overlap matrix (1413.21372s) stopped
T12 >> 1462255538.52736306 Blacs Orbital Layouts (10977.51124s) started
T12 >> 1462255538.53533912 General diagonalize (10932.81076s) started
T12 << 1462255589.54161191 General diagonalize (10983.81703s) stopped
T12 >> 1462255589.54165697 Redistribute coefs (1.64425s) started
T12 << 1462255589.54928303 Redistribute coefs (1.65188s) stopped
T12 >> 1462255589.54936099 Send coefs to domains (41.22953s) started
T12 << 1462255589.80162597 Send coefs to domains (41.48179s) stopped
T12 << 1462255589.80180812 Blacs Orbital Layouts (11028.78569s) stopped
T12 >> 1462255589.80183506 Calculate projections (354.53715s) started
T12 << 1462255591.50558209 Calculate projections (356.24090s) stopped
T12 << 1462255591.50576997 LCAO eigensolver (13076.72159s) stopped
T12 >> 1462255594.67761993 Density (3178.46968s) started
T12 >> 1462255594.67763805 Pseudo density (2473.25865s) started
T12 >> 1462255594.68029904 Calculate density matrix (2324.49957s) started
T12 << 1462255606.54564500 Calculate density matrix (2336.36491s) stopped
T12 >> 1462255606.54569292 Construct density (144.84144s) started
T12 << 1462255607.29047108 Construct density (145.58622s) stopped
T12 >> 1462255607.30675602 Symmetrize density (0.01654s) started
T12 << 1462255607.30682611 Symmetrize density (0.01661s) stopped
T12 << 1462255607.30925202 Pseudo density (2485.89027s) stopped
T12 >> 1462255607.30930805 Atomic density matrices (618.47938s) started
T12 << 1462255610.54045391 Atomic density matrices (621.71053s) stopped
T12 >> 1462255610.54048610 Multipole moments (1.85427s) started
T12 << 1462255610.55069304 Multipole moments (1.86447s) stopped
T12 >> 1462255610.55072093 Normalize (1.34712s) started
T12 << 1462255610.55721807 Normalize (1.35362s) stopped
T12 >> 1462255610.55725503 Mix (83.51573s) started
T12 << 1462255610.99919605 Mix (83.95767s) stopped
T12 << 1462255610.99923110 Density (3194.79130s) stopped
T12 >> 1462255610.99925303 Hamiltonian (8862.33475s) started
T12 >> 1462255610.99926710 vbar (5.41395s) started
T12 << 1462255611.03130007 vbar (5.44599s) stopped
T12 >> 1462255611.03149509 XC 3D grid (5526.48938s) started
T12 >> 1462255611.51780796 van der Waals (5340.32350s) started
T12 >> 1462255611.62914395 semilocal (1124.47219s) started
T12 << 1462255617.35748100 semilocal (1130.20052s) stopped
T12 >> 1462255617.43444896 redistribute (571.18507s) started
T12 << 1462255618.46468711 redistribute (572.21530s) stopped
T12 >> 1462255618.46473002 libvdwxc nonlocal (3607.39651s) started
T12 << 1462255636.97613502 libvdwxc nonlocal (3625.90792s) stopped
T12 >> 1462255636.97619796 redistribute (572.21533s) started
T12 << 1462255638.74615407 redistribute (573.98529s) stopped
T12 << 1462255638.74727392 van der Waals (5367.55296s) stopped
T12 << 1462255639.20334697 XC 3D grid (5554.66123s) stopped
T12 >> 1462255639.20338798 Poisson (1340.89551s) started
T12 << 1462255643.59557509 Poisson (1345.28769s) stopped
T12 >> 1462255643.59563708 Hartree integrate/restrict (71.67441s) started
T12 << 1462255643.64569712 Hartree integrate/restrict (71.72447s) stopped
T12 >> 1462255643.64578509 Hartree integrate/restrict (71.72453s) started
T12 << 1462255643.95993400 Hartree integrate/restrict (72.03868s) stopped
T12 >> 1462255643.96006608 Atomic (463.55251s) started
T12 >> 1462255643.96160507 XC Correction (0.00651s) started
T12 << 1462255643.96162105 XC Correction (0.00653s) stopped
T12 << 1462255646.33814812 Atomic (465.93059s) stopped
T12 >> 1462255646.33824205 Communicate (1454.21285s) started
T12 << 1462255655.26479197 Communicate (1463.13940s) stopped
T12 << 1462255655.26483107 Hamiltonian (8906.60033s) stopped
T12 >> 1462255655.26485491 LCAO eigensolver (13076.72161s) started
T12 >> 1462255655.26486897 Potential matrix (199.66493s) started
T12 << 1462255656.21707392 Potential matrix (200.61713s) stopped
T12 >> 1462255656.21714497 DistributedAtomicCorrection (77.79936s) started
T12 << 1462255656.59236598 DistributedAtomicCorrection (78.17458s) stopped
T12 >> 1462255656.59241104 Distribute overlap matrix (1413.21373s) started
T12 >> 1462255656.59243608 blocked summation (801.94807s) started
T12 << 1462255660.50421906 blocked summation (805.85986s) stopped
T12 >> 1462255660.51312208 Scalapack redistribute (609.22819s) started
T12 << 1462255663.56591511 Scalapack redistribute (612.28098s) stopped
T12 << 1462255663.56601691 Distribute overlap matrix (1420.18734s) stopped
T12 >> 1462255663.57052207 Blacs Orbital Layouts (11028.78570s) started
T12 >> 1462255663.57839298 General diagonalize (10983.81707s) started
T12 << 1462255714.72204590 General diagonalize (11034.96072s) stopped
T12 >> 1462255714.72209096 Redistribute coefs (1.65194s) started
T12 << 1462255714.72940302 Redistribute coefs (1.65925s) stopped
T12 >> 1462255714.72948289 Send coefs to domains (41.48182s) started
T12 << 1462255714.85142899 Send coefs to domains (41.60377s) stopped
T12 << 1462255714.85160494 Blacs Orbital Layouts (11080.06679s) stopped
T12 >> 1462255714.85166311 Calculate projections (356.24095s) started
T12 << 1462255716.55687094 Calculate projections (357.94616s) stopped
T12 << 1462255716.55706310 LCAO eigensolver (13138.01382s) stopped
T12 >> 1462255719.72925305 Density (3194.79131s) started
T12 >> 1462255719.72926807 Pseudo density (2485.89031s) started
T12 >> 1462255719.73183894 Calculate density matrix (2336.36494s) started
T12 << 1462255732.79085803 Calculate density matrix (2349.42396s) stopped
T12 >> 1462255732.79090595 Construct density (145.58627s) started
T12 << 1462255733.53565598 Construct density (146.33102s) stopped
T12 >> 1462255733.55194902 Symmetrize density (0.01662s) started
T12 << 1462255733.55201411 Symmetrize density (0.01669s) stopped
T12 << 1462255733.55444288 Pseudo density (2499.71549s) stopped
T12 >> 1462255733.55449796 Atomic density matrices (621.71055s) started
T12 << 1462255736.78918600 Atomic density matrices (624.94524s) stopped
T12 >> 1462255736.78921795 Multipole moments (1.86449s) started
T12 << 1462255736.79994607 Multipole moments (1.87522s) stopped
T12 >> 1462255736.79997396 Normalize (1.35365s) started
T12 << 1462255736.80646992 Normalize (1.36014s) stopped
T12 >> 1462255736.80650806 Mix (83.95771s) started
T12 << 1462255737.25516891 Mix (84.40637s) stopped
T12 << 1462255737.25521111 Density (3212.31727s) stopped
T12 >> 1462255737.25523496 Hamiltonian (8906.60034s) started
T12 >> 1462255737.25524902 vbar (5.44611s) started
T12 << 1462255737.28093910 vbar (5.47180s) stopped
T12 >> 1462255737.28108096 XC 3D grid (5554.66126s) started
T12 >> 1462255737.76821804 van der Waals (5367.55299s) started
T12 >> 1462255737.88170195 semilocal (1130.20062s) started
T12 << 1462255743.71873498 semilocal (1136.03765s) stopped
T12 >> 1462255743.79951191 redistribute (573.98535s) started
T12 << 1462255744.75117111 redistribute (574.93701s) stopped
T12 >> 1462255744.75121403 libvdwxc nonlocal (3625.90797s) started
T12 << 1462255763.03329110 libvdwxc nonlocal (3644.19004s) stopped
T12 >> 1462255763.03335309 redistribute (574.93704s) started
T12 << 1462255764.72633410 redistribute (576.63002s) stopped
T12 << 1462255764.72746801 van der Waals (5394.51224s) stopped
T12 << 1462255765.17978501 XC 3D grid (5582.55996s) stopped
T12 >> 1462255765.17983699 Poisson (1345.28774s) started
T12 << 1462255769.49267101 Poisson (1349.60057s) stopped
T12 >> 1462255769.49279690 Hartree integrate/restrict (72.03871s) started
T12 << 1462255769.53320408 Hartree integrate/restrict (72.07912s) stopped
T12 >> 1462255769.53324604 Hartree integrate/restrict (72.07915s) started
T12 << 1462255769.85896707 Hartree integrate/restrict (72.40487s) stopped
T12 >> 1462255769.85914302 Atomic (465.93061s) started
T12 >> 1462255769.86071110 XC Correction (0.00654s) started
T12 << 1462255769.86072707 XC Correction (0.00656s) stopped
T12 << 1462255772.22075891 Atomic (468.29222s) stopped
T12 >> 1462255772.22084498 Communicate (1463.13943s) started
T12 << 1462255781.13973904 Communicate (1472.05832s) stopped
T12 << 1462255781.13977408 Hamiltonian (8950.48488s) stopped
T12 >> 1462255781.13980103 LCAO eigensolver (13138.01384s) started
T12 >> 1462255781.13981509 Potential matrix (200.61718s) started
T12 << 1462255782.10024405 Potential matrix (201.57760s) stopped
T12 >> 1462255782.10031605 DistributedAtomicCorrection (78.17462s) started
T12 << 1462255782.46781611 DistributedAtomicCorrection (78.54212s) stopped
T12 >> 1462255782.46786189 Distribute overlap matrix (1420.18735s) started
T12 >> 1462255782.46788692 blocked summation (805.85989s) started
T12 << 1462255786.32820511 blocked summation (809.72021s) stopped
T12 >> 1462255786.33681202 Scalapack redistribute (612.28104s) started
T12 << 1462255789.38938498 Scalapack redistribute (615.33362s) stopped
T12 << 1462255789.38946605 Distribute overlap matrix (1427.10895s) stopped
T12 >> 1462255789.39430690 Blacs Orbital Layouts (11080.06684s) started
T12 >> 1462255789.40224099 General diagonalize (11034.96076s) started
T12 << 1462255842.87083793 General diagonalize (11088.42936s) stopped
T12 >> 1462255842.87088394 Redistribute coefs (1.65932s) started
T12 << 1462255842.87825108 Redistribute coefs (1.66668s) stopped
T12 >> 1462255842.87832594 Send coefs to domains (41.60380s) started
T12 << 1462255842.98642206 Send coefs to domains (41.71190s) stopped
T12 << 1462255842.98660302 Blacs Orbital Layouts (11133.65913s) stopped
T12 >> 1462255842.98663092 Calculate projections (357.94621s) started
T12 << 1462255844.68956709 Calculate projections (359.64915s) stopped
T12 << 1462255844.68975401 LCAO eigensolver (13201.56379s) stopped
T12 >> 1462255847.87647104 Density (3212.31728s) started
T12 >> 1462255847.87648511 Pseudo density (2499.71553s) started
T12 >> 1462255847.87920094 Calculate density matrix (2349.42399s) started
T12 << 1462255859.79049993 Calculate density matrix (2361.33529s) stopped
T12 >> 1462255859.79054594 Construct density (146.33108s) started
T12 << 1462255860.53366494 Construct density (147.07420s) stopped
T12 >> 1462255860.54976106 Symmetrize density (0.01670s) started
T12 << 1462255860.54983091 Symmetrize density (0.01677s) stopped
T12 << 1462255860.55225110 Pseudo density (2512.39130s) stopped
T12 >> 1462255860.55230594 Atomic density matrices (624.94526s) started
T12 << 1462255863.78748989 Atomic density matrices (628.18045s) stopped
T12 >> 1462255863.78752208 Multipole moments (1.87523s) started
T12 << 1462255863.79819608 Multipole moments (1.88591s) stopped
T12 >> 1462255863.79822493 Normalize (1.36017s) started
T12 << 1462255863.80508304 Normalize (1.36703s) stopped
T12 >> 1462255863.80511999 Mix (84.40641s) started
T12 << 1462255864.23999190 Mix (84.84128s) stopped
T12 << 1462255864.24002790 Density (3228.68084s) stopped
T12 >> 1462255864.24005008 Hamiltonian (8950.48489s) started
T12 >> 1462255864.24006295 vbar (5.47189s) started
T12 << 1462255864.26840401 vbar (5.50023s) stopped
T12 >> 1462255864.26856399 XC 3D grid (5582.56001s) started
T12 >> 1462255864.74060893 van der Waals (5394.51226s) started
T12 >> 1462255864.85191202 semilocal (1136.03774s) started
T12 << 1462255870.59566593 semilocal (1141.78149s) stopped
T12 >> 1462255870.67981505 redistribute (576.63008s) started
T12 << 1462255871.72922897 redistribute (577.67949s) stopped
T12 >> 1462255871.72927094 libvdwxc nonlocal (3644.19009s) started
T12 << 1462255889.94493890 libvdwxc nonlocal (3662.40576s) stopped
T12 >> 1462255889.94497895 redistribute (577.67952s) started
T12 << 1462255891.72581601 redistribute (579.46036s) stopped
T12 << 1462255891.72687411 van der Waals (5421.49853s) stopped
T12 << 1462255892.17747307 XC 3D grid (5610.46892s) stopped
T12 >> 1462255892.17753506 Poisson (1349.60067s) started
T12 << 1462255896.47918105 Poisson (1353.90232s) stopped
T12 >> 1462255896.47931194 Hartree integrate/restrict (72.40492s) started
T12 << 1462255896.52101803 Hartree integrate/restrict (72.44662s) stopped
T12 >> 1462255896.52111697 Hartree integrate/restrict (72.44669s) started
T12 << 1462255896.85955000 Hartree integrate/restrict (72.78513s) stopped
T12 >> 1462255896.85973597 Atomic (468.29225s) started
T12 >> 1462255896.86183405 XC Correction (0.00657s) started
T12 << 1462255896.86186910 XC Correction (0.00660s) stopped
T12 << 1462255899.21778202 Atomic (470.65029s) stopped
T12 >> 1462255899.21787095 Communicate (1472.05834s) started
T12 << 1462255908.16804600 Communicate (1481.00852s) stopped
T12 << 1462255908.16807604 Hamiltonian (8994.41292s) stopped
T12 >> 1462255908.16809893 LCAO eigensolver (13201.56381s) started
T12 >> 1462255908.16811109 Potential matrix (201.57765s) started
T12 << 1462255909.12588096 Potential matrix (202.53542s) stopped
T12 >> 1462255909.12595510 DistributedAtomicCorrection (78.54216s) started
T12 << 1462255909.49949503 DistributedAtomicCorrection (78.91570s) stopped
T12 >> 1462255909.49954200 Distribute overlap matrix (1427.10896s) started
T12 >> 1462255909.49956703 blocked summation (809.72024s) started
T12 << 1462255913.41908789 blocked summation (813.63976s) stopped
T12 >> 1462255913.42868400 Scalapack redistribute (615.33368s) started
T12 << 1462255916.40905499 Scalapack redistribute (618.31405s) stopped
T12 << 1462255916.40915489 Distribute overlap matrix (1434.01858s) stopped
T12 >> 1462255916.41356111 Blacs Orbital Layouts (11133.65915s) started
T12 >> 1462255916.42183709 General diagonalize (11088.42939s) started
T12 << 1462255970.47991991 General diagonalize (11142.48748s) stopped
T12 >> 1462255970.47996306 Redistribute coefs (1.66674s) started
T12 << 1462255970.48698592 Redistribute coefs (1.67377s) stopped
T12 >> 1462255970.48707294 Send coefs to domains (41.71193s) started
T12 << 1462255970.93526697 Send coefs to domains (42.16012s) stopped
T12 << 1462255970.93546700 Blacs Orbital Layouts (11188.18106s) stopped
T12 >> 1462255970.93549395 Calculate projections (359.64920s) started
T12 << 1462255972.64396501 Calculate projections (361.35767s) stopped
T12 << 1462255972.64415002 LCAO eigensolver (13266.03986s) stopped
T12 >> 1462255975.83147812 Density (3228.68085s) started
T12 >> 1462255975.83149290 Pseudo density (2512.39134s) started
T12 >> 1462255975.83489299 Calculate density matrix (2361.33533s) started
T12 << 1462255987.64357591 Calculate density matrix (2373.14401s) stopped
T12 >> 1462255987.64362502 Construct density (147.07425s) started
T12 << 1462255988.38889503 Construct density (147.81952s) stopped
T12 >> 1462255988.40514588 Symmetrize density (0.01679s) started
T12 << 1462255988.40521312 Symmetrize density (0.01686s) stopped
T12 << 1462255988.40763998 Pseudo density (2524.96749s) stopped
T12 >> 1462255988.40769601 Atomic density matrices (628.18047s) started
T12 << 1462255991.59337592 Atomic density matrices (631.36615s) stopped
T12 >> 1462255991.59340906 Multipole moments (1.88592s) started
T12 << 1462255991.60353708 Multipole moments (1.89605s) stopped
T12 >> 1462255991.60356402 Normalize (1.36706s) started
T12 << 1462255991.61137104 Normalize (1.37486s) stopped
T12 >> 1462255991.61140704 Mix (84.84132s) started
T12 << 1462255992.07876897 Mix (85.30868s) stopped
T12 << 1462255992.07882404 Density (3244.92819s) stopped
T12 >> 1462255992.07884693 Hamiltonian (8994.41293s) started
T12 >> 1462255992.07886100 vbar (5.50033s) started
T12 << 1462255992.11188197 vbar (5.53335s) stopped
T12 >> 1462255992.11198592 XC 3D grid (5610.46897s) started
T12 >> 1462255992.57820392 van der Waals (5421.49856s) started
T12 >> 1462255992.69184899 semilocal (1141.78161s) started
T12 << 1462255998.52806306 semilocal (1147.61782s) stopped
T12 >> 1462255998.60010290 redistribute (579.46042s) started
T12 << 1462255999.55653000 redistribute (580.41684s) stopped
T12 >> 1462255999.55657411 libvdwxc nonlocal (3662.40579s) started
T12 << 1462256018.28351402 libvdwxc nonlocal (3681.13273s) stopped
T12 >> 1462256018.28355503 redistribute (580.41688s) started
T12 << 1462256019.94429398 redistribute (582.07761s) stopped
T12 << 1462256019.94554806 van der Waals (5448.86591s) stopped
T12 << 1462256020.40989900 XC 3D grid (5638.76688s) stopped
T12 >> 1462256020.40994191 Poisson (1353.90242s) started
T12 << 1462256024.76807690 Poisson (1358.26056s) stopped
T12 >> 1462256024.76814699 Hartree integrate/restrict (72.78517s) started
T12 << 1462256024.81721902 Hartree integrate/restrict (72.83424s) stopped
T12 >> 1462256024.81725907 Hartree integrate/restrict (72.83427s) started
T12 << 1462256025.18643403 Hartree integrate/restrict (73.20344s) stopped
T12 >> 1462256025.18656492 Atomic (470.65032s) started
T12 >> 1462256025.18817401 XC Correction (0.00662s) started
T12 << 1462256025.18819690 XC Correction (0.00664s) stopped
T12 << 1462256027.56739902 Atomic (473.03115s) stopped
T12 >> 1462256027.56748390 Communicate (1481.00854s) started
T12 << 1462256036.50913405 Communicate (1489.95019s) stopped
T12 << 1462256036.50917101 Hamiltonian (9038.84325s) stopped
T12 >> 1462256036.50919700 LCAO eigensolver (13266.03988s) started
T12 >> 1462256036.50921011 Potential matrix (202.53546s) started
T12 << 1462256037.45929790 Potential matrix (203.48555s) stopped
T12 >> 1462256037.45938492 DistributedAtomicCorrection (78.91574s) started
T12 << 1462256037.83695006 DistributedAtomicCorrection (79.29330s) stopped
T12 >> 1462256037.83699608 Distribute overlap matrix (1434.01861s) started
T12 >> 1462256037.83701992 blocked summation (813.63979s) started
T12 << 1462256041.71743989 blocked summation (817.52021s) stopped
T12 >> 1462256041.72707605 Scalapack redistribute (618.31411s) started
T12 << 1462256044.79556203 Scalapack redistribute (621.38259s) stopped
T12 << 1462256044.79562998 Distribute overlap matrix (1440.97725s) stopped
T12 >> 1462256044.80002999 Blacs Orbital Layouts (11188.18108s) started
T12 >> 1462256044.80802488 General diagonalize (11142.48751s) started
T12 << 1462256098.33398700 General diagonalize (11196.01347s) stopped
T12 >> 1462256098.33403802 Redistribute coefs (1.67384s) started
T12 << 1462256098.34284711 Redistribute coefs (1.68265s) stopped
T12 >> 1462256098.34289908 Send coefs to domains (42.16016s) started
T12 << 1462256098.43634200 Send coefs to domains (42.25360s) stopped
T12 << 1462256098.43659210 Blacs Orbital Layouts (11241.81764s) stopped
T12 >> 1462256098.43662310 Calculate projections (361.35772s) started
T12 << 1462256100.15288711 Calculate projections (363.07399s) stopped
T12 << 1462256100.15334201 LCAO eigensolver (13329.68402s) stopped
T12 >> 1462256103.34050608 Density (3244.92821s) started
T12 >> 1462256103.34052205 Pseudo density (2524.96754s) started
T12 >> 1462256103.34307694 Calculate density matrix (2373.14404s) started
T12 << 1462256115.14446712 Calculate density matrix (2384.94543s) stopped
T12 >> 1462256115.14452291 Construct density (147.81957s) started
T12 << 1462256115.88910508 Construct density (148.56415s) stopped
T12 >> 1462256115.90308309 Symmetrize density (0.01688s) started
T12 << 1462256115.90314889 Symmetrize density (0.01694s) stopped
T12 << 1462256115.90526009 Pseudo density (2537.53227s) stopped
T12 >> 1462256115.90532804 Atomic density matrices (631.36618s) started
T12 << 1462256119.18846798 Atomic density matrices (634.64932s) stopped
T12 >> 1462256119.18850589 Multipole moments (1.89607s) started
T12 << 1462256119.19907999 Multipole moments (1.90664s) stopped
T12 >> 1462256119.19910789 Normalize (1.37489s) started
T12 << 1462256119.20529103 Normalize (1.38107s) stopped
T12 >> 1462256119.20537901 Mix (85.30873s) started
T12 << 1462256119.67904806 Mix (85.78240s) stopped
T12 << 1462256119.67909694 Density (3261.26680s) stopped
T12 >> 1462256119.67912102 Hamiltonian (9038.84326s) started
T12 >> 1462256119.67913604 vbar (5.53340s) started
T12 << 1462256119.70570493 vbar (5.55997s) stopped
T12 >> 1462256119.70589209 XC 3D grid (5638.76692s) started
T12 >> 1462256120.20040488 van der Waals (5448.86593s) started
T12 >> 1462256120.31379294 semilocal (1147.61788s) started
T12 << 1462256126.03252196 semilocal (1153.33661s) stopped
T12 >> 1462256126.10448909 redistribute (582.07767s) started
T12 << 1462256127.15225410 redistribute (583.12543s) stopped
T12 >> 1462256127.15230393 libvdwxc nonlocal (3681.13276s) started
T12 << 1462256145.46959591 libvdwxc nonlocal (3699.45005s) stopped
T12 >> 1462256145.46968007 redistribute (583.12547s) started
T12 << 1462256148.18883705 redistribute (585.84463s) stopped
T12 << 1462256148.19011092 van der Waals (5476.85564s) stopped
T12 << 1462256148.64599299 XC 3D grid (5667.70702s) stopped
T12 >> 1462256148.64605308 Poisson (1358.26061s) started
T12 << 1462256152.99666500 Poisson (1362.61122s) stopped
T12 >> 1462256152.99676204 Hartree integrate/restrict (73.20347s) started
T12 << 1462256153.03455496 Hartree integrate/restrict (73.24127s) stopped
T12 >> 1462256153.03465700 Hartree integrate/restrict (73.24133s) started
T12 << 1462256153.36254191 Hartree integrate/restrict (73.56922s) stopped
T12 >> 1462256153.36273289 Atomic (473.03117s) started
T12 >> 1462256153.36435604 XC Correction (0.00666s) started
T12 << 1462256153.36437201 XC Correction (0.00667s) stopped
T12 << 1462256155.73856592 Atomic (475.40701s) stopped
T12 >> 1462256155.73865294 Communicate (1489.95021s) started
T12 << 1462256164.65657806 Communicate (1498.86814s) stopped
T12 << 1462256164.65661407 Hamiltonian (9083.82075s) stopped
T12 >> 1462256164.65663910 LCAO eigensolver (13329.68404s) started
T12 >> 1462256164.65665197 Potential matrix (203.48560s) started
T12 << 1462256165.61472011 Potential matrix (204.44367s) stopped
T12 >> 1462256165.61479998 DistributedAtomicCorrection (79.29334s) started
T12 << 1462256165.99195504 DistributedAtomicCorrection (79.67050s) stopped
T12 >> 1462256165.99200296 Distribute overlap matrix (1440.97726s) started
T12 >> 1462256165.99203110 blocked summation (817.52024s) started
T12 << 1462256169.85014296 blocked summation (821.37835s) stopped
T12 >> 1462256169.86078095 Scalapack redistribute (621.38265s) started
T12 << 1462256172.91214609 Scalapack redistribute (624.43401s) stopped
T12 << 1462256172.91226292 Distribute overlap matrix (1447.89752s) stopped
T12 >> 1462256172.91667700 Blacs Orbital Layouts (11241.81766s) started
T12 >> 1462256172.92491102 General diagonalize (11196.01352s) started
T12 << 1462256226.22621393 General diagonalize (11249.31482s) stopped
T12 >> 1462256226.22625899 Redistribute coefs (1.68269s) started
T12 << 1462256226.23363304 Redistribute coefs (1.69006s) stopped
T12 >> 1462256226.23369694 Send coefs to domains (42.25364s) started
T12 << 1462256226.52342296 Send coefs to domains (42.54336s) stopped
T12 << 1462256226.52371907 Blacs Orbital Layouts (11295.42470s) stopped
T12 >> 1462256226.52374792 Calculate projections (363.07405s) started
T12 << 1462256228.22852302 Calculate projections (364.77882s) stopped
T12 << 1462256228.22897601 LCAO eigensolver (13393.25638s) stopped
T12 >> 1462256231.42473292 Density (3261.26681s) started
T12 >> 1462256231.42474794 Pseudo density (2537.53233s) started
T12 >> 1462256231.42767906 Calculate density matrix (2384.94547s) started
T12 << 1462256243.21341205 Calculate density matrix (2396.73120s) stopped
T12 >> 1462256243.21345806 Construct density (148.56421s) started
T12 << 1462256243.95796108 Construct density (149.30871s) stopped
T12 >> 1462256243.97437501 Symmetrize density (0.01696s) started
T12 << 1462256243.97443199 Symmetrize density (0.01702s) stopped
T12 << 1462256243.97689104 Pseudo density (2550.08447s) stopped
T12 >> 1462256243.97694802 Atomic density matrices (634.64934s) started
T12 << 1462256247.21967196 Atomic density matrices (637.89207s) stopped
T12 >> 1462256247.21970510 Multipole moments (1.90666s) started
T12 << 1462256247.22982502 Multipole moments (1.91678s) stopped
T12 >> 1462256247.22985196 Normalize (1.38114s) started
T12 << 1462256247.23901796 Normalize (1.39030s) stopped
T12 >> 1462256247.23908710 Mix (85.78245s) started
T12 << 1462256247.66863704 Mix (86.21200s) stopped
T12 << 1462256247.66867495 Density (3277.51075s) stopped
T12 >> 1462256247.66869593 Hamiltonian (9083.82077s) started
T12 >> 1462256247.66870999 vbar (5.56008s) started
T12 << 1462256247.69045806 vbar (5.58183s) stopped
T12 >> 1462256247.69056010 XC 3D grid (5667.70706s) started
T12 >> 1462256248.27605295 van der Waals (5476.85568s) started
T12 >> 1462256248.38801289 semilocal (1153.33670s) started
T12 << 1462256254.22902489 semilocal (1159.17771s) stopped
T12 >> 1462256254.30361891 redistribute (585.84467s) started
T12 << 1462256255.23996305 redistribute (586.78101s) stopped
T12 >> 1462256255.24000406 libvdwxc nonlocal (3699.45011s) started
T12 << 1462256274.22341299 libvdwxc nonlocal (3718.43352s) stopped
T12 >> 1462256274.22347498 redistribute (586.78104s) started
T12 << 1462256276.97705197 redistribute (589.53462s) stopped
T12 << 1462256276.97817993 van der Waals (5505.55780s) stopped
T12 << 1462256277.43921089 XC 3D grid (5697.45571s) stopped
T12 >> 1462256277.43924904 Poisson (1362.61129s) started
T12 << 1462256281.85527802 Poisson (1367.02732s) stopped
T12 >> 1462256281.85533595 Hartree integrate/restrict (73.56927s) started
T12 << 1462256281.91177106 Hartree integrate/restrict (73.62571s) stopped
T12 >> 1462256281.91182089 Hartree integrate/restrict (73.62574s) started
T12 << 1462256282.23040795 Hartree integrate/restrict (73.94432s) stopped
T12 >> 1462256282.23057389 Atomic (475.40703s) started
T12 >> 1462256282.23248506 XC Correction (0.00669s) started
T12 << 1462256282.23252797 XC Correction (0.00673s) stopped
T12 << 1462256284.61251807 Atomic (477.78898s) stopped
T12 >> 1462256284.61260295 Communicate (1498.86816s) started
T12 << 1462256293.54078197 Communicate (1507.79634s) stopped
T12 << 1462256293.54082203 Hamiltonian (9129.69289s) stopped
T12 >> 1462256293.54084706 LCAO eigensolver (13393.25640s) started
T12 >> 1462256293.54085994 Potential matrix (204.44371s) started
T12 << 1462256294.48653698 Potential matrix (205.38939s) stopped
T12 >> 1462256294.48662305 DistributedAtomicCorrection (79.67054s) started
T12 << 1462256294.85990500 DistributedAtomicCorrection (80.04382s) stopped
T12 >> 1462256294.85995293 Distribute overlap matrix (1447.89753s) started
T12 >> 1462256294.85997701 blocked summation (821.37839s) started
T12 << 1462256298.89038610 blocked summation (825.40880s) stopped
T12 >> 1462256298.89993310 Scalapack redistribute (624.43408s) started
T12 << 1462256301.88498211 Scalapack redistribute (627.41912s) stopped
T12 << 1462256301.88508391 Distribute overlap matrix (1454.92266s) stopped
T12 >> 1462256301.89015293 Blacs Orbital Layouts (11295.42472s) started
T12 >> 1462256301.89844894 General diagonalize (11249.31485s) started
T12 << 1462256355.96999097 General diagonalize (11303.38640s) stopped
T12 >> 1462256355.97006702 Redistribute coefs (1.69011s) started
T12 << 1462256355.97780108 Redistribute coefs (1.69785s) stopped
T12 >> 1462256355.97788501 Send coefs to domains (42.54340s) started
T12 << 1462256356.50762200 Send coefs to domains (43.07313s) stopped
T12 << 1462256356.50798392 Blacs Orbital Layouts (11350.04255s) stopped
T12 >> 1462256356.50801706 Calculate projections (364.77887s) started
T12 << 1462256358.21231008 Calculate projections (366.48317s) stopped
T12 << 1462256358.21266794 LCAO eigensolver (13457.92822s) stopped
T12 << 1462256361.38726091 SCF-cycle (26545.53500s) stopped
T12 >> 1462256363.40936804 Force calculation (886.92285s) started
T12 >> 1462256363.40943599 LCAO forces (876.94118s) started
T12 >> 1462256363.40978599 Initial (0.00027s) started
T12 << 1462256363.40980196 Initial (0.00028s) stopped
T12 >> 1462256363.41573811 Get density matrix (463.97016s) started
T12 << 1462256372.53864098 Get density matrix (473.09306s) stopped
T12 >> 1462256372.53868604 Potential (71.01382s) started
T12 << 1462256378.46447992 Potential (76.93962s) stopped
T12 >> 1462256378.46453404 Get density matrix (473.09310s) started
T12 << 1462256408.40223598 Get density matrix (503.03080s) stopped
T12 >> 1462256408.40229893 Prepare TCI loop (24.81052s) started
T12 >> 1462256408.40278292 Get neighbors (22.56360s) started
T12 << 1462256410.29520512 Get neighbors (24.45602s) stopped
T12 >> 1462256410.29606605 broadcast dH (2.23435s) started
T12 << 1462256410.49020004 broadcast dH (2.42848s) stopped
T12 << 1462256410.49024105 Prepare TCI loop (26.89846s) stopped
T12 >> 1462256410.49026108 Not so complicated loop (1.39001s) started
T12 << 1462256410.60375404 Not so complicated loop (1.50350s) stopped
T12 >> 1462256410.71572590 Complicated loop (205.57154s) started
T12 << 1462256428.20660996 Complicated loop (223.06243s) stopped
T12 >> 1462256428.20753908 Wait for sum (108.74801s) started
T12 << 1462256437.50597000 Wait for sum (118.04644s) stopped
T12 << 1462256437.50600791 LCAO forces (951.03775s) stopped
T12 << 1462256438.30240107 Force calculation (961.81588s) stopped
T12 >> 1462256438.32028008 Initialization (1479.99981s) started
T12 << 1462256438.32044506 Initialization (1479.99997s) stopped
T12 >> 1462256438.32065701 Initialization (1479.99999s) started
T12 << 1462256438.32078195 Initialization (1480.00011s) stopped
T12 >> 1462256438.32091808 Initialization (1480.00013s) started
T12 << 1462256438.32104111 Initialization (1480.00026s) stopped
T12 >> 1462256458.61974597 Initialization (1480.00027s) started
T12 >> 1462256458.71430206 Basic WFS set positions (1.05489s) started
T12 >> 1462256458.71432710 Redistribute (0.00468s) started
T12 << 1462256458.71445894 Redistribute (0.00481s) stopped
T12 << 1462256458.79832006 Basic WFS set positions (1.13891s) stopped
T12 >> 1462256458.79834509 Basis functions set positions (21.32507s) started
T12 << 1462256460.55928993 Basis functions set positions (23.08602s) stopped
T12 >> 1462256460.55966997 TCI: Calculate S, T, P (183.60627s) started
T12 << 1462256475.10385203 TCI: Calculate S, T, P (198.15045s) stopped
T12 >> 1462256475.10390592 blocked summation (225.65486s) started
T12 << 1462256494.17710209 blocked summation (244.72805s) stopped
T12 >> 1462256494.18679094 Scalapack redistribute (84.64628s) started
T12 << 1462256502.76159191 Scalapack redistribute (93.22108s) stopped
T12 >> 1462256502.76246405 blocked summation (244.72812s) started
T12 << 1462256503.83758497 blocked summation (245.80324s) stopped
T12 >> 1462256503.84716511 Scalapack redistribute (93.22115s) started
T12 << 1462256504.07577610 Scalapack redistribute (93.44976s) stopped
T12 >> 1462256504.07762003 Redistribute (0.01163s) started
T12 << 1462256504.07812810 Redistribute (0.01214s) stopped
T12 >> 1462256505.75690198 Redistribute (0.01215s) started
T12 << 1462256505.75734997 Redistribute (0.01260s) stopped
T12 >> 1462256505.77279401 LCAO WFS Initialize (935.66720s) started
T12 >> 1462256505.77287507 Density initialize from wavefunctions (169.81621s) started
T12 >> 1462256505.78025508 Calculate density matrix (118.67432s) started
T12 << 1462256515.59625506 Calculate density matrix (128.49032s) stopped
T12 >> 1462256515.59630299 Construct density (8.89023s) started
T12 << 1462256516.33865190 Construct density (9.63258s) stopped
T12 >> 1462256516.35306501 Symmetrize density (0.00098s) started
T12 << 1462256516.35312510 Symmetrize density (0.00104s) stopped
T12 << 1462256519.87883711 Density initialize from wavefunctions (183.92217s) stopped
T12 >> 1462256519.87911296 Hamiltonian (764.93423s) started
T12 >> 1462256519.87913203 vbar (0.39660s) started
T12 << 1462256519.89950895 vbar (0.41697s) stopped
T12 >> 1462256519.89959598 XC 3D grid (374.25858s) started
T12 >> 1462256520.49408293 van der Waals (361.96200s) started
T12 >> 1462256520.60369706 semilocal (75.41491s) started
T12 << 1462256526.34529400 semilocal (81.15651s) stopped
T12 >> 1462256526.42854404 redistribute (43.21272s) started
T12 << 1462256527.46735406 redistribute (44.25153s) stopped
T12 >> 1462256527.46740603 libvdwxc nonlocal (240.83452s) started
T12 << 1462256545.96238589 libvdwxc nonlocal (259.32950s) stopped
T12 >> 1462256545.96245408 redistribute (44.25156s) started
T12 << 1462256548.44262791 redistribute (46.73174s) stopped
T12 << 1462256548.44382501 van der Waals (389.91174s) stopped
T12 << 1462256548.90640712 XC 3D grid (403.26539s) stopped
T12 >> 1462256548.90647006 Poisson (226.28094s) started
T12 << 1462256564.54464507 Poisson (241.91912s) stopped
T12 >> 1462256564.54471993 Hartree integrate/restrict (4.80125s) started
T12 << 1462256564.58891106 Hartree integrate/restrict (4.84544s) stopped
T12 >> 1462256564.58896303 Hartree integrate/restrict (4.84547s) started
T12 << 1462256564.88505697 Hartree integrate/restrict (5.14157s) stopped
T12 >> 1462256564.88521099 Atomic (30.40923s) started
T12 >> 1462256564.88704610 XC Correction (0.00055s) started
T12 << 1462256564.88705993 XC Correction (0.00057s) stopped
T12 << 1462256567.24138999 Atomic (32.76541s) stopped
T12 >> 1462256567.24155998 Communicate (128.75605s) started
T12 << 1462256579.08865309 Communicate (140.60315s) stopped
T12 << 1462256579.08868289 Hamiltonian (824.14380s) stopped
T12 << 1462256579.08869696 LCAO WFS Initialize (1008.98310s) stopped
T12 << 1462256579.10063910 Initialization (1600.48117s) stopped
T12 >> 1462256579.12615204 SCF-cycle (26545.53502s) started
T12 >> 1462256579.12618399 LCAO eigensolver (13457.92824s) started
T12 >> 1462256579.12619710 Potential matrix (205.38944s) started
T12 << 1462256580.07515192 Potential matrix (206.33840s) stopped
T12 >> 1462256580.07522702 DistributedAtomicCorrection (80.04386s) started
T12 << 1462256580.44805002 DistributedAtomicCorrection (80.41668s) stopped
T12 >> 1462256580.44809604 Distribute overlap matrix (1454.92267s) started
T12 >> 1462256580.44812107 blocked summation (825.40883s) started
T12 << 1462256584.55071592 blocked summation (829.51142s) stopped
T12 >> 1462256584.56009889 Scalapack redistribute (627.41918s) started
T12 << 1462256587.83371091 Scalapack redistribute (630.69279s) stopped
T12 << 1462256587.83380699 Distribute overlap matrix (1462.30839s) stopped
T12 >> 1462256587.83904696 Blacs Orbital Layouts (11350.04257s) started
T12 >> 1462256587.84801412 General diagonalize (11303.38646s) started
T12 << 1462256646.18932700 General diagonalize (11361.72777s) stopped
T12 >> 1462256646.18937302 Redistribute coefs (1.69791s) started
T12 << 1462256646.19672990 Redistribute coefs (1.70527s) stopped
T12 >> 1462256646.19679999 Send coefs to domains (43.07316s) started
T12 << 1462256646.44357204 Send coefs to domains (43.31994s) stopped
T12 << 1462256646.44410992 Blacs Orbital Layouts (11408.64763s) stopped
T12 >> 1462256646.44413805 Calculate projections (366.48322s) started
T12 << 1462256648.14453101 Calculate projections (368.18361s) stopped
T12 << 1462256648.14472198 LCAO eigensolver (13526.94677s) stopped
T12 >> 1462256651.34700394 Density (3277.51076s) started
T12 >> 1462256651.34702110 Pseudo density (2550.08452s) started
T12 >> 1462256651.34985304 Calculate density matrix (2396.73123s) started
T12 << 1462256663.24826097 Calculate density matrix (2408.62964s) stopped
T12 >> 1462256663.24831009 Construct density (149.30876s) started
T12 << 1462256663.99181795 Construct density (150.05227s) stopped
T12 >> 1462256664.00587702 Symmetrize density (0.01703s) started
T12 << 1462256664.00594807 Symmetrize density (0.01710s) stopped
T12 << 1462256664.00802803 Pseudo density (2562.74552s) stopped
T12 >> 1462256664.00808811 Atomic density matrices (637.89209s) started
T12 << 1462256667.24194407 Atomic density matrices (641.12595s) stopped
T12 >> 1462256667.24197507 Multipole moments (1.91679s) started
T12 << 1462256667.25237608 Multipole moments (1.92719s) stopped
T12 >> 1462256667.25239992 Normalize (1.39036s) started
T12 << 1462256667.25854492 Normalize (1.39650s) stopped
T12 >> 1462256667.25862598 Mix (86.21204s) started
T12 << 1462256667.60353398 Mix (86.55695s) stopped
T12 << 1462256667.60358596 Density (3293.76735s) stopped
T12 >> 1462256667.60361195 Hamiltonian (9129.69291s) started
T12 >> 1462256667.60362601 vbar (5.58189s) started
T12 << 1462256667.62487793 vbar (5.60314s) stopped
T12 >> 1462256667.62500596 XC 3D grid (5697.45574s) started
T12 >> 1462256668.11511898 van der Waals (5505.55783s) started
T12 >> 1462256668.22184300 semilocal (1159.17778s) started
T12 << 1462256673.99670911 semilocal (1164.95265s) stopped
T12 >> 1462256674.07875395 redistribute (589.53468s) started
T12 << 1462256675.08696508 redistribute (590.54289s) stopped
T12 >> 1462256675.08700991 libvdwxc nonlocal (3718.43357s) started
T12 << 1462256693.53492999 libvdwxc nonlocal (3736.88149s) stopped
T12 >> 1462256693.53498197 redistribute (590.54292s) started
T12 << 1462256695.19720697 redistribute (592.20515s) stopped
T12 << 1462256695.19879603 van der Waals (5532.64150s) stopped
T12 << 1462256695.65989494 XC 3D grid (5725.49063s) stopped
T12 >> 1462256695.65993690 Poisson (1367.02736s) started
T12 << 1462256701.44181395 Poisson (1372.80924s) stopped
T12 >> 1462256701.44189191 Hartree integrate/restrict (73.94436s) started
T12 << 1462256701.48676395 Hartree integrate/restrict (73.98923s) stopped
T12 >> 1462256701.48681688 Hartree integrate/restrict (73.98927s) started
T12 << 1462256701.82476997 Hartree integrate/restrict (74.32722s) stopped
T12 >> 1462256701.82491708 Atomic (477.78900s) started
T12 >> 1462256701.82688189 XC Correction (0.00674s) started
T12 << 1462256701.82690001 XC Correction (0.00676s) stopped
T12 << 1462256704.15451503 Atomic (480.11860s) stopped
T12 >> 1462256704.15469098 Communicate (1507.79637s) started
T12 << 1462256715.76041698 Communicate (1519.40209s) stopped
T12 << 1462256715.76045394 Hamiltonian (9177.84975s) stopped
T12 >> 1462256715.76047802 LCAO eigensolver (13526.94679s) started
T12 >> 1462256715.76049089 Potential matrix (206.33844s) started
T12 << 1462256716.70477605 Potential matrix (207.28273s) stopped
T12 >> 1462256716.70484710 DistributedAtomicCorrection (80.41672s) started
T12 << 1462256717.08622193 DistributedAtomicCorrection (80.79809s) stopped
T12 >> 1462256717.08629489 Distribute overlap matrix (1462.30840s) started
T12 >> 1462256717.08632207 blocked summation (829.51145s) started
T12 << 1462256720.89875197 blocked summation (833.32388s) stopped
T12 >> 1462256720.90837193 Scalapack redistribute (630.69283s) started
T12 << 1462256724.16654491 Scalapack redistribute (633.95100s) stopped
T12 << 1462256724.16665101 Distribute overlap matrix (1469.38876s) stopped
T12 >> 1462256724.17106891 Blacs Orbital Layouts (11408.64765s) started
T12 >> 1462256724.17996097 General diagonalize (11361.72781s) started
T12 << 1462256778.01709199 General diagonalize (11415.56494s) stopped
T12 >> 1462256778.01714396 Redistribute coefs (1.70532s) started
T12 << 1462256778.02575302 Redistribute coefs (1.71393s) stopped
T12 >> 1462256778.02580190 Send coefs to domains (43.31997s) started
T12 << 1462256778.11922407 Send coefs to domains (43.41339s) stopped
T12 << 1462256778.11977196 Blacs Orbital Layouts (11462.59635s) stopped
T12 >> 1462256778.11980200 Calculate projections (368.18366s) started
T12 << 1462256779.83410096 Calculate projections (369.89796s) stopped
T12 << 1462256779.83460093 LCAO eigensolver (13591.02091s) stopped
T12 >> 1462256783.03275895 Density (3293.76736s) started
T12 >> 1462256783.03277493 Pseudo density (2562.74557s) started
T12 >> 1462256783.03575206 Calculate density matrix (2408.62968s) started
T12 << 1462256794.84264398 Calculate density matrix (2420.43657s) stopped
T12 >> 1462256794.84270096 Construct density (150.05232s) started
T12 << 1462256795.58645892 Construct density (150.79608s) stopped
T12 >> 1462256795.60266590 Symmetrize density (0.01712s) started
T12 << 1462256795.60274792 Symmetrize density (0.01720s) stopped
T12 << 1462256795.60530806 Pseudo density (2575.31811s) stopped
T12 >> 1462256795.60537291 Atomic density matrices (641.12598s) started
T12 << 1462256798.86788392 Atomic density matrices (644.38849s) stopped
T12 >> 1462256798.86791992 Multipole moments (1.92721s) started
T12 << 1462256798.87898111 Multipole moments (1.93827s) stopped
T12 >> 1462256798.87900400 Normalize (1.39657s) started
T12 << 1462256798.88545895 Normalize (1.40302s) stopped
T12 >> 1462256798.88550591 Mix (86.55700s) started
T12 << 1462256799.28579307 Mix (86.95729s) stopped
T12 << 1462256799.28587198 Density (3310.02047s) stopped
T12 >> 1462256799.28590488 Hamiltonian (9177.84976s) started
T12 >> 1462256799.28592300 vbar (5.60322s) started
T12 << 1462256799.32061195 vbar (5.63791s) stopped
T12 >> 1462256799.32076192 XC 3D grid (5725.49067s) started
T12 >> 1462256799.78167605 van der Waals (5532.64156s) started
T12 >> 1462256799.89774489 semilocal (1164.95275s) started
T12 << 1462256805.60341501 semilocal (1170.65842s) stopped
T12 >> 1462256805.68062210 redistribute (592.20520s) started
T12 << 1462256806.75541401 redistribute (593.27999s) stopped
T12 >> 1462256806.75546503 libvdwxc nonlocal (3736.88153s) started
T12 << 1462256824.89612293 libvdwxc nonlocal (3755.02219s) stopped
T12 >> 1462256824.89619589 redistribute (593.28003s) started
T12 << 1462256827.05345511 redistribute (595.43729s) stopped
T12 << 1462256827.05515003 van der Waals (5559.91504s) stopped
T12 << 1462256827.51035690 XC 3D grid (5753.68026s) stopped
T12 >> 1462256827.51042008 Poisson (1372.80930s) started
T12 << 1462256840.36642694 Poisson (1385.66530s) stopped
T12 >> 1462256840.36650896 Hartree integrate/restrict (74.32726s) started
T12 << 1462256840.40420604 Hartree integrate/restrict (74.36495s) stopped
T12 >> 1462256840.40429807 Hartree integrate/restrict (74.36501s) started
T12 << 1462256840.75893092 Hartree integrate/restrict (74.71965s) stopped
T12 >> 1462256840.75910401 Atomic (480.11862s) started
T12 >> 1462256840.76088405 XC Correction (0.00677s) started
T12 << 1462256840.76089907 XC Correction (0.00679s) stopped
T12 << 1462256843.11131811 Atomic (482.47083s) stopped
T12 >> 1462256843.11150002 Communicate (1519.40212s) started
T12 << 1462256853.94618297 Communicate (1530.23680s) stopped
T12 << 1462256853.94621205 Hamiltonian (9232.51007s) stopped
T12 >> 1462256853.94623494 LCAO eigensolver (13591.02093s) started
T12 >> 1462256853.94624805 Potential matrix (207.28277s) started
T12 << 1462256854.89665508 Potential matrix (208.23318s) stopped
T12 >> 1462256854.89674902 DistributedAtomicCorrection (80.79816s) started
T12 << 1462256855.27388692 DistributedAtomicCorrection (81.17530s) stopped
T12 >> 1462256855.27393508 Distribute overlap matrix (1469.38877s) started
T12 >> 1462256855.27396297 blocked summation (833.32392s) started
T12 << 1462256859.17029595 blocked summation (837.22025s) stopped
T12 >> 1462256859.17985606 Scalapack redistribute (633.95106s) started
T12 << 1462256862.31399703 Scalapack redistribute (637.08520s) stopped
T12 << 1462256862.31413889 Distribute overlap matrix (1476.42897s) stopped
T12 >> 1462256862.31855607 Blacs Orbital Layouts (11462.59637s) started
T12 >> 1462256862.32713294 General diagonalize (11415.56499s) started
T12 << 1462256916.02262306 General diagonalize (11469.26048s) stopped
T12 >> 1462256916.02267408 Redistribute coefs (1.71397s) started
T12 << 1462256916.03106594 Redistribute coefs (1.72236s) stopped
T12 >> 1462256916.03111410 Send coefs to domains (43.41343s) started
T12 << 1462256916.38177204 Send coefs to domains (43.76409s) stopped
T12 << 1462256916.38236189 Blacs Orbital Layouts (11516.66018s) stopped
T12 >> 1462256916.38239193 Calculate projections (369.89802s) started
T12 << 1462256918.09673905 Calculate projections (371.61236s) stopped
T12 << 1462256918.09713793 LCAO eigensolver (13655.17183s) stopped
T12 >> 1462256921.29606295 Density (3310.02049s) started
T12 >> 1462256921.29607892 Pseudo density (2575.31816s) started
T12 >> 1462256921.29907393 Calculate density matrix (2420.43661s) started
T12 << 1462256933.08624196 Calculate density matrix (2432.22377s) stopped
T12 >> 1462256933.08629894 Construct density (150.79614s) started
T12 << 1462256933.83101296 Construct density (151.54085s) stopped
T12 >> 1462256933.84785295 Symmetrize density (0.01722s) started
T12 << 1462256933.84793305 Symmetrize density (0.01730s) stopped
T12 << 1462256933.85043693 Pseudo density (2587.87251s) stopped
T12 >> 1462256933.85050392 Atomic density matrices (644.38851s) started
T12 << 1462256937.04651904 Atomic density matrices (647.58453s) stopped
T12 >> 1462256937.04655600 Multipole moments (1.93829s) started
T12 << 1462256937.05743003 Multipole moments (1.94916s) stopped
T12 >> 1462256937.05745411 Normalize (1.40305s) started
T12 << 1462256937.06396198 Normalize (1.40956s) stopped
T12 >> 1462256937.06400609 Mix (86.95736s) started
T12 << 1462256937.49257994 Mix (87.38594s) stopped
T12 << 1462256937.49262500 Density (3326.21705s) stopped
T12 >> 1462256937.49265003 Hamiltonian (9232.51008s) started
T12 >> 1462256937.49266505 vbar (5.63799s) started
T12 << 1462256937.51965308 vbar (5.66498s) stopped
T12 >> 1462256937.51972604 XC 3D grid (5753.68031s) started
T12 >> 1462256938.04720402 van der Waals (5559.91509s) started
T12 >> 1462256938.16103101 semilocal (1170.65852s) started
T12 << 1462256943.92400503 semilocal (1176.42150s) stopped
T12 >> 1462256943.99615908 redistribute (595.43733s) started
T12 << 1462256945.06499410 redistribute (596.50617s) stopped
T12 >> 1462256945.06504512 libvdwxc nonlocal (3755.02224s) started
T12 << 1462256963.73217893 libvdwxc nonlocal (3773.68938s) stopped
T12 >> 1462256963.73225904 redistribute (596.50621s) started
T12 << 1462256965.80314493 redistribute (598.57709s) stopped
T12 << 1462256965.80468702 van der Waals (5587.67257s) stopped
T12 << 1462256966.26171303 XC 3D grid (5782.42230s) stopped
T12 >> 1462256966.26177597 Poisson (1385.66536s) started
T12 << 1462256970.65868807 Poisson (1390.06227s) stopped
T12 >> 1462256970.65885401 Hartree integrate/restrict (74.71969s) started
T12 << 1462256970.69667101 Hartree integrate/restrict (74.75750s) stopped
T12 >> 1462256970.69681907 Hartree integrate/restrict (74.75761s) started
T12 << 1462256971.03300500 Hartree integrate/restrict (75.09379s) stopped
T12 >> 1462256971.03317404 Atomic (482.47086s) started
T12 >> 1462256971.03488398 XC Correction (0.00680s) started
T12 << 1462256971.03492999 XC Correction (0.00685s) stopped
T12 << 1462256973.40088296 Atomic (484.83857s) stopped
T12 >> 1462256973.40104294 Communicate (1530.23682s) started
T12 << 1462256982.98501301 Communicate (1539.82079s) stopped
T12 << 1462256982.98503804 Hamiltonian (9278.00247s) stopped
T12 >> 1462256982.98505902 LCAO eigensolver (13655.17185s) started
T12 >> 1462256982.98507094 Potential matrix (208.23323s) started
T12 << 1462256983.93719196 Potential matrix (209.18535s) stopped
T12 >> 1462256983.93728709 DistributedAtomicCorrection (81.17534s) started
T12 << 1462256984.32097197 DistributedAtomicCorrection (81.55902s) stopped
T12 >> 1462256984.32101989 Distribute overlap matrix (1476.42899s) started
T12 >> 1462256984.32104897 blocked summation (837.22029s) started
T12 << 1462256988.17693210 blocked summation (841.07617s) stopped
T12 >> 1462256988.18605304 Scalapack redistribute (637.08527s) started
T12 << 1462256991.39167690 Scalapack redistribute (640.29090s) stopped
T12 << 1462256991.39178300 Distribute overlap matrix (1483.49975s) stopped
T12 >> 1462256991.39670491 Blacs Orbital Layouts (11516.66020s) started
T12 >> 1462256991.40567708 General diagonalize (11469.26052s) started
T12 << 1462257045.31471109 General diagonalize (11523.16955s) stopped
T12 >> 1462257045.31476307 Redistribute coefs (1.72240s) started
T12 << 1462257045.32273102 Redistribute coefs (1.73037s) stopped
T12 >> 1462257045.32279110 Send coefs to domains (43.76413s) started
T12 << 1462257045.53500009 Send coefs to domains (43.97633s) stopped
T12 << 1462257045.53563309 Blacs Orbital Layouts (11570.79913s) stopped
T12 >> 1462257045.53566408 Calculate projections (371.61242s) started
T12 << 1462257047.25058293 Calculate projections (373.32734s) stopped
T12 << 1462257047.25079703 LCAO eigensolver (13719.43759s) stopped
T12 >> 1462257050.41308093 Density (3326.21706s) started
T12 >> 1462257050.41309690 Pseudo density (2587.87257s) started
T12 >> 1462257050.41619611 Calculate density matrix (2432.22381s) started
T12 << 1462257062.24417996 Calculate density matrix (2444.05180s) stopped
T12 >> 1462257062.24423695 Construct density (151.54091s) started
T12 << 1462257062.98930192 Construct density (152.28598s) stopped
T12 >> 1462257063.00544095 Symmetrize density (0.01732s) started
T12 << 1462257063.00552011 Symmetrize density (0.01740s) stopped
T12 << 1462257063.00803804 Pseudo density (2600.46751s) stopped
T12 >> 1462257063.00810599 Atomic density matrices (647.58456s) started
T12 << 1462257066.29746389 Atomic density matrices (650.87392s) stopped
T12 >> 1462257066.29750109 Multipole moments (1.94918s) started
T12 << 1462257066.30835390 Multipole moments (1.96003s) stopped
T12 >> 1462257066.30837798 Normalize (1.40959s) started
T12 << 1462257066.31525111 Normalize (1.41647s) stopped
T12 >> 1462257066.31529689 Mix (87.38598s) started
T12 << 1462257066.72387195 Mix (87.79456s) stopped
T12 << 1462257066.72392893 Density (3342.52791s) stopped
T12 >> 1462257066.72395611 Hamiltonian (9278.00248s) started
T12 >> 1462257066.72397089 vbar (5.66502s) started
T12 << 1462257066.75076699 vbar (5.69181s) stopped
T12 >> 1462257066.75094008 XC 3D grid (5782.42235s) started
T12 >> 1462257067.22308397 van der Waals (5587.67262s) started
T12 >> 1462257067.33953595 semilocal (1176.42161s) started
T12 << 1462257073.11627293 semilocal (1182.19835s) stopped
T12 >> 1462257073.19674802 redistribute (598.57714s) started
T12 << 1462257074.20183110 redistribute (599.58222s) stopped
T12 >> 1462257074.20190001 libvdwxc nonlocal (3773.68944s) started
T12 << 1462257092.30446100 libvdwxc nonlocal (3791.79200s) stopped
T12 >> 1462257092.30451298 redistribute (599.58228s) started
T12 << 1462257094.24125504 redistribute (601.51902s) stopped
T12 << 1462257094.24228311 van der Waals (5614.69182s) stopped
T12 << 1462257094.69876099 XC 3D grid (5810.37017s) stopped
T12 >> 1462257094.69881010 Poisson (1390.06240s) started
T12 << 1462257101.82552600 Poisson (1397.18912s) stopped
T12 >> 1462257101.82560992 Hartree integrate/restrict (75.09384s) started
T12 << 1462257101.86310005 Hartree integrate/restrict (75.13133s) stopped
T12 >> 1462257101.86320400 Hartree integrate/restrict (75.13140s) started
T12 << 1462257102.18643188 Hartree integrate/restrict (75.45462s) stopped
T12 >> 1462257102.18661094 Atomic (484.83859s) started
T12 >> 1462257102.18839598 XC Correction (0.00686s) started
T12 << 1462257102.18842196 XC Correction (0.00689s) stopped
T12 << 1462257104.53616905 Atomic (487.18815s) stopped
T12 >> 1462257104.53631711 Communicate (1539.82081s) started
T12 << 1462257113.96419191 Communicate (1549.24868s) stopped
T12 << 1462257113.96422791 Hamiltonian (9325.24275s) stopped
T12 >> 1462257113.96425200 LCAO eigensolver (13719.43761s) started
T12 >> 1462257113.96426606 Potential matrix (209.18540s) started
T12 << 1462257114.91994905 Potential matrix (210.14108s) stopped
T12 >> 1462257114.92004490 DistributedAtomicCorrection (81.55906s) started
T12 << 1462257115.30285692 DistributedAtomicCorrection (81.94187s) stopped
T12 >> 1462257115.30290604 Distribute overlap matrix (1483.49976s) started
T12 >> 1462257115.30293489 blocked summation (841.07621s) started
T12 << 1462257119.18064809 blocked summation (844.95392s) stopped
T12 >> 1462257119.19076204 Scalapack redistribute (640.29094s) started
T12 << 1462257122.33008003 Scalapack redistribute (643.43026s) stopped
T12 << 1462257122.33021808 Distribute overlap matrix (1490.52708s) stopped
T12 >> 1462257122.33458710 Blacs Orbital Layouts (11570.79915s) started
T12 >> 1462257122.34408498 General diagonalize (11523.16960s) started
T12 << 1462257173.30889893 General diagonalize (11574.13441s) stopped
T12 >> 1462257173.30894995 Redistribute coefs (1.73041s) started
T12 << 1462257173.31689811 Redistribute coefs (1.73836s) stopped
T12 >> 1462257173.31694889 Send coefs to domains (43.97638s) started
T12 << 1462257173.40441203 Send coefs to domains (44.06384s) stopped
T12 << 1462257173.40504909 Blacs Orbital Layouts (11621.86961s) stopped
T12 >> 1462257173.40507889 Calculate projections (373.32740s) started
T12 << 1462257175.11977696 Calculate projections (375.04210s) stopped
T12 << 1462257175.12017107 LCAO eigensolver (13780.59353s) stopped
T12 >> 1462257178.31935406 Density (3342.52792s) started
T12 >> 1462257178.31937003 Pseudo density (2600.46756s) started
T12 >> 1462257178.32249498 Calculate density matrix (2444.05184s) started
T12 << 1462257190.10893106 Calculate density matrix (2455.83827s) stopped
T12 >> 1462257190.10898900 Construct density (152.28604s) started
T12 << 1462257190.86173296 Construct density (153.03878s) stopped
T12 >> 1462257190.87772012 Symmetrize density (0.01742s) started
T12 << 1462257190.87778711 Symmetrize density (0.01749s) stopped
T12 << 1462257190.88031006 Pseudo density (2613.02850s) stopped
T12 >> 1462257190.88037896 Atomic density matrices (650.87395s) started
T12 << 1462257194.17475200 Atomic density matrices (654.16832s) stopped
T12 >> 1462257194.17478895 Multipole moments (1.96004s) started
T12 << 1462257194.18564391 Multipole moments (1.97090s) stopped
T12 >> 1462257194.18567705 Normalize (1.41650s) started
T12 << 1462257194.19222093 Normalize (1.42304s) stopped
T12 >> 1462257194.19226599 Mix (87.79461s) started
T12 << 1462257194.60210609 Mix (88.20445s) stopped
T12 << 1462257194.60214400 Density (3358.81071s) stopped
T12 >> 1462257194.60216904 Hamiltonian (9325.24276s) started
T12 >> 1462257194.60218406 vbar (5.69191s) started
T12 << 1462257194.62616611 vbar (5.71589s) stopped
T12 >> 1462257194.62628508 XC 3D grid (5810.37021s) started
T12 >> 1462257195.14250112 van der Waals (5614.69185s) started
T12 >> 1462257195.25767708 semilocal (1182.19843s) started
T12 << 1462257201.02248812 semilocal (1187.96324s) stopped
T12 >> 1462257201.09913397 redistribute (601.51906s) started
T12 << 1462257202.12629604 redistribute (602.54622s) stopped
T12 >> 1462257202.12636805 libvdwxc nonlocal (3791.79204s) started
T12 << 1462257220.21804595 libvdwxc nonlocal (3809.88372s) stopped
T12 >> 1462257220.21809697 redistribute (602.54628s) started
T12 << 1462257222.16503000 redistribute (604.49321s) stopped
T12 << 1462257222.16619802 van der Waals (5641.71555s) stopped
T12 << 1462257222.62150311 XC 3D grid (5838.36543s) stopped
T12 >> 1462257222.62158298 Poisson (1397.18918s) started
T12 << 1462257229.72758102 Poisson (1404.29518s) stopped
T12 >> 1462257229.72767210 Hartree integrate/restrict (75.45467s) started
T12 << 1462257229.76556706 Hartree integrate/restrict (75.49257s) stopped
T12 >> 1462257229.76564789 Hartree integrate/restrict (75.49262s) started
T12 << 1462257230.08247495 Hartree integrate/restrict (75.80945s) stopped
T12 >> 1462257230.08265805 Atomic (487.18817s) started
T12 >> 1462257230.08433700 XC Correction (0.00690s) started
T12 << 1462257230.08435202 XC Correction (0.00691s) stopped
T12 << 1462257232.43673396 Atomic (489.54225s) stopped
T12 >> 1462257232.43687701 Communicate (1549.24871s) started
T12 << 1462257241.92802095 Communicate (1558.73985s) stopped
T12 << 1462257241.92806411 Hamiltonian (9372.56866s) stopped
T12 >> 1462257241.92809010 LCAO eigensolver (13780.59355s) started
T12 >> 1462257241.92810297 Potential matrix (210.14114s) started
T12 << 1462257242.88354802 Potential matrix (211.09658s) stopped
T12 >> 1462257242.88364196 DistributedAtomicCorrection (81.94191s) started
T12 << 1462257243.25784802 DistributedAtomicCorrection (82.31612s) stopped
T12 >> 1462257243.25789690 Distribute overlap matrix (1490.52709s) started
T12 >> 1462257243.25792503 blocked summation (844.95396s) started
T12 << 1462257247.22130299 blocked summation (848.91733s) stopped
T12 >> 1462257247.23179412 Scalapack redistribute (643.43033s) started
T12 << 1462257250.20704889 Scalapack redistribute (646.40558s) stopped
T12 << 1462257250.20716596 Distribute overlap matrix (1497.47636s) stopped
T12 >> 1462257250.21167707 Blacs Orbital Layouts (11621.86963s) started
T12 >> 1462257250.22078991 General diagonalize (11574.13445s) started
T12 << 1462257303.91203308 General diagonalize (11627.82570s) stopped
T12 >> 1462257303.91211605 Redistribute coefs (1.73840s) started
T12 << 1462257303.92053294 Redistribute coefs (1.74682s) stopped
T12 >> 1462257303.92058206 Send coefs to domains (44.06387s) started
T12 << 1462257304.13554001 Send coefs to domains (44.27883s) stopped
T12 << 1462257304.13601899 Blacs Orbital Layouts (11675.79397s) stopped
T12 >> 1462257304.13604903 Calculate projections (375.04216s) started
T12 << 1462257305.85095406 Calculate projections (376.75707s) stopped
T12 << 1462257305.85133791 LCAO eigensolver (13844.51680s) stopped
T12 >> 1462257309.00846696 Density (3358.81073s) started
T12 >> 1462257309.00848198 Pseudo density (2613.02856s) started
T12 >> 1462257309.01164007 Calculate density matrix (2455.83831s) started
T12 << 1462257320.86125803 Calculate density matrix (2467.68793s) stopped
T12 >> 1462257320.86131406 Construct density (153.03884s) started
T12 << 1462257321.60578799 Construct density (153.78332s) stopped
T12 >> 1462257321.62195802 Symmetrize density (0.01751s) started
T12 << 1462257321.62202406 Symmetrize density (0.01757s) stopped
T12 << 1462257321.62454796 Pseudo density (2625.64462s) stopped
T12 >> 1462257321.62461591 Atomic density matrices (654.16835s) started
T12 << 1462257324.87260103 Atomic density matrices (657.41634s) stopped
T12 >> 1462257324.87263703 Multipole moments (1.97092s) started
T12 << 1462257324.88401794 Multipole moments (1.98230s) stopped
T12 >> 1462257324.88404894 Normalize (1.42308s) started
T12 << 1462257324.89091301 Normalize (1.42994s) stopped
T12 >> 1462257324.89095712 Mix (88.20449s) started
T12 << 1462257325.31085801 Mix (88.62439s) stopped
T12 << 1462257325.31090999 Density (3375.11317s) stopped
T12 >> 1462257325.31093597 Hamiltonian (9372.56867s) started
T12 >> 1462257325.31095099 vbar (5.71596s) started
T12 << 1462257325.33929896 vbar (5.74431s) stopped
T12 >> 1462257325.33944988 XC 3D grid (5838.36550s) started
T12 >> 1462257325.81291199 van der Waals (5641.71561s) started
T12 >> 1462257325.93042803 semilocal (1187.96335s) started
T12 << 1462257331.71042490 semilocal (1193.74335s) stopped
T12 >> 1462257331.78517890 redistribute (604.49326s) started
T12 << 1462257332.81866288 redistribute (605.52674s) stopped
T12 >> 1462257332.81873393 libvdwxc nonlocal (3809.88375s) started
T12 << 1462257351.00314403 libvdwxc nonlocal (3828.06816s) stopped
T12 >> 1462257351.00322294 redistribute (605.52679s) started
T12 << 1462257353.09649110 redistribute (607.62006s) stopped
T12 << 1462257353.09782910 van der Waals (5669.00053s) stopped
T12 << 1462257353.55415511 XC 3D grid (5866.58020s) stopped
T12 >> 1462257353.55419993 Poisson (1404.29525s) started
T12 << 1462257359.33234310 Poisson (1410.07339s) stopped
T12 >> 1462257359.33243299 Hartree integrate/restrict (75.80950s) started
T12 << 1462257359.37023902 Hartree integrate/restrict (75.84731s) stopped
T12 >> 1462257359.37032390 Hartree integrate/restrict (75.84736s) started
T12 << 1462257359.67219710 Hartree integrate/restrict (76.14923s) stopped
T12 >> 1462257359.67237091 Atomic (489.54227s) started
T12 >> 1462257359.67403293 XC Correction (0.00692s) started
T12 << 1462257359.67404699 XC Correction (0.00694s) stopped
T12 << 1462257362.03986001 Atomic (491.90976s) stopped
T12 >> 1462257362.03997803 Communicate (1558.73988s) started
T12 << 1462257371.49417400 Communicate (1568.19407s) stopped
T12 << 1462257371.49421406 Hamiltonian (9418.75195s) stopped
T12 >> 1462257371.49423909 LCAO eigensolver (13844.51682s) started
T12 >> 1462257371.49425292 Potential matrix (211.09664s) started
T12 << 1462257372.43482804 Potential matrix (212.03721s) stopped
T12 >> 1462257372.43490911 DistributedAtomicCorrection (82.31616s) started
T12 << 1462257372.81461811 DistributedAtomicCorrection (82.69587s) stopped
T12 >> 1462257372.81466508 Distribute overlap matrix (1497.47637s) started
T12 >> 1462257372.81469202 blocked summation (848.91737s) started
T12 << 1462257376.69122195 blocked summation (852.79390s) stopped
T12 >> 1462257376.70092201 Scalapack redistribute (646.40565s) started
T12 << 1462257379.74169493 Scalapack redistribute (649.44642s) stopped
T12 << 1462257379.74181509 Distribute overlap matrix (1504.40352s) stopped
T12 >> 1462257379.74624705 Blacs Orbital Layouts (11675.79399s) started
T12 >> 1462257379.75534201 General diagonalize (11627.82577s) started
T12 << 1462257431.64056110 General diagonalize (11679.71099s) stopped
T12 >> 1462257431.64061499 Redistribute coefs (1.74686s) started
T12 << 1462257431.64844894 Redistribute coefs (1.75469s) stopped
T12 >> 1462257431.64850593 Send coefs to domains (44.27887s) started
T12 << 1462257431.90326309 Send coefs to domains (44.53363s) stopped
T12 << 1462257431.90373898 Blacs Orbital Layouts (11727.95148s) stopped
T12 >> 1462257431.90376902 Calculate projections (376.75713s) started
T12 << 1462257433.61881304 Calculate projections (378.47217s) stopped
T12 << 1462257433.61920595 LCAO eigensolver (13906.64178s) stopped
T12 >> 1462257436.78107691 Density (3375.11318s) started
T12 >> 1462257436.78109288 Pseudo density (2625.64467s) started
T12 >> 1462257436.78388000 Calculate density matrix (2467.68797s) started
T12 << 1462257448.61500812 Calculate density matrix (2479.51910s) stopped
T12 >> 1462257448.61506391 Construct density (153.78338s) started
T12 << 1462257449.36015391 Construct density (154.52847s) stopped
T12 >> 1462257449.37642002 Symmetrize density (0.01759s) started
T12 << 1462257449.37648392 Symmetrize density (0.01766s) stopped
T12 << 1462257449.37902808 Pseudo density (2638.24261s) stopped
T12 >> 1462257449.37909889 Atomic density matrices (657.41636s) started
T12 << 1462257452.68777108 Atomic density matrices (660.72504s) stopped
T12 >> 1462257452.68780708 Multipole moments (1.98231s) started
T12 << 1462257452.69874811 Multipole moments (1.99325s) stopped
T12 >> 1462257452.69878101 Normalize (1.42997s) started
T12 << 1462257452.70560503 Normalize (1.43680s) stopped
T12 >> 1462257452.70564890 Mix (88.62444s) started
T12 << 1462257453.15628004 Mix (89.07507s) stopped
T12 << 1462257453.15632391 Density (3391.48843s) stopped
T12 >> 1462257453.15634704 Hamiltonian (9418.75196s) started
T12 >> 1462257453.15636206 vbar (5.74440s) started
T12 << 1462257453.17688799 vbar (5.76492s) stopped
T12 >> 1462257453.17701006 XC 3D grid (5866.58024s) started
T12 >> 1462257453.69840693 van der Waals (5669.00056s) started
T12 >> 1462257453.81216002 semilocal (1193.74342s) started
T12 << 1462257459.50919700 semilocal (1199.44045s) stopped
T12 >> 1462257459.58331108 redistribute (607.62011s) started
T12 << 1462257460.70143509 redistribute (608.73823s) stopped
T12 >> 1462257460.70148611 libvdwxc nonlocal (3828.06822s) started
T12 << 1462257478.93323493 libvdwxc nonlocal (3846.29997s) stopped
T12 >> 1462257478.93329906 redistribute (608.73827s) started
T12 << 1462257480.89712811 redistribute (610.70210s) stopped
T12 << 1462257480.89837193 van der Waals (5696.20052s) stopped
T12 << 1462257481.35652208 XC 3D grid (5894.75975s) stopped
T12 >> 1462257481.35657096 Poisson (1410.07346s) started
T12 << 1462257485.67489100 Poisson (1414.39178s) stopped
T12 >> 1462257485.67500496 Hartree integrate/restrict (76.14928s) started
T12 << 1462257485.71228695 Hartree integrate/restrict (76.18656s) stopped
T12 >> 1462257485.71237612 Hartree integrate/restrict (76.18662s) started
T12 << 1462257486.03076100 Hartree integrate/restrict (76.50501s) stopped
T12 >> 1462257486.03093290 Atomic (491.90979s) started
T12 >> 1462257486.03253102 XC Correction (0.00695s) started
T12 << 1462257486.03254604 XC Correction (0.00696s) stopped
T12 << 1462257488.37466598 Atomic (494.25352s) stopped
T12 >> 1462257488.37475705 Communicate (1568.19410s) started
T12 << 1462257497.87126803 Communicate (1577.69061s) stopped
T12 << 1462257497.87130904 Hamiltonian (9463.46692s) stopped
T12 >> 1462257497.87133598 LCAO eigensolver (13906.64180s) started
T12 >> 1462257497.87135005 Potential matrix (212.03726s) started
T12 << 1462257498.81963897 Potential matrix (212.98554s) stopped
T12 >> 1462257498.81973505 DistributedAtomicCorrection (82.69591s) started
T12 << 1462257499.20021200 DistributedAtomicCorrection (83.07638s) stopped
T12 >> 1462257499.20026112 Distribute overlap matrix (1504.40354s) started
T12 >> 1462257499.20028901 blocked summation (852.79394s) started
T12 << 1462257503.03409195 blocked summation (856.62774s) stopped
T12 >> 1462257503.04397511 Scalapack redistribute (649.44648s) started
T12 << 1462257506.18030000 Scalapack redistribute (652.58281s) stopped
T12 << 1462257506.18042707 Distribute overlap matrix (1511.38370s) stopped
T12 >> 1462257506.18511009 Blacs Orbital Layouts (11727.95150s) started
T12 >> 1462257506.19415903 General diagonalize (11679.71103s) started
T12 << 1462257559.76948905 General diagonalize (11733.28636s) stopped
T12 >> 1462257559.76953411 Redistribute coefs (1.75474s) started
T12 << 1462257559.77672410 Redistribute coefs (1.76193s) stopped
T12 >> 1462257559.77678990 Send coefs to domains (44.53367s) started
T12 << 1462257559.87857199 Send coefs to domains (44.63545s) stopped
T12 << 1462257559.87912393 Blacs Orbital Layouts (11781.64552s) stopped
T12 >> 1462257559.87915397 Calculate projections (378.47223s) started
T12 << 1462257561.58363891 Calculate projections (380.17672s) stopped
T12 << 1462257561.58411908 LCAO eigensolver (13970.35458s) stopped
T12 >> 1462257564.75619698 Density (3391.48844s) started
T12 >> 1462257564.75621200 Pseudo density (2638.24267s) started
T12 >> 1462257564.75894189 Calculate density matrix (2479.51913s) started
T12 << 1462257576.58583808 Calculate density matrix (2491.34603s) stopped
T12 >> 1462257576.58588696 Construct density (154.52853s) started
T12 << 1462257577.32857704 Construct density (155.27122s) stopped
T12 >> 1462257577.34343791 Symmetrize density (0.01768s) started
T12 << 1462257577.34349394 Symmetrize density (0.01773s) stopped
T12 << 1462257577.34561491 Pseudo density (2650.83207s) stopped
T12 >> 1462257577.34567094 Atomic density matrices (660.72506s) started
T12 << 1462257580.58003211 Atomic density matrices (663.95942s) stopped
T12 >> 1462257580.58006310 Multipole moments (1.99327s) started
T12 << 1462257580.59201789 Multipole moments (2.00522s) stopped
T12 >> 1462257580.59204793 Normalize (1.43683s) started
T12 << 1462257580.59827590 Normalize (1.44306s) stopped
T12 >> 1462257580.59834409 Mix (89.07511s) started
T12 << 1462257581.03393888 Mix (89.51071s) stopped
T12 << 1462257581.03400707 Density (3407.76625s) stopped
T12 >> 1462257581.03403711 Hamiltonian (9463.46693s) started
T12 >> 1462257581.03405309 vbar (5.76499s) started
T12 << 1462257581.05711699 vbar (5.78805s) stopped
T12 >> 1462257581.05721307 XC 3D grid (5894.75979s) started
T12 >> 1462257581.56512690 van der Waals (5696.20055s) started
T12 >> 1462257581.67371106 semilocal (1199.44053s) started
T12 << 1462257587.47933507 semilocal (1205.24615s) stopped
T12 >> 1462257587.55678201 redistribute (610.70214s) started
T12 << 1462257588.56195593 redistribute (611.70732s) stopped
T12 >> 1462257588.56199789 libvdwxc nonlocal (3846.30002s) started
T12 << 1462257607.23590398 libvdwxc nonlocal (3864.97393s) stopped
T12 >> 1462257607.23596191 redistribute (611.70735s) started
T12 << 1462257608.86815596 redistribute (613.33954s) stopped
T12 << 1462257608.86944604 van der Waals (5723.50487s) stopped
T12 << 1462257609.32945991 XC 3D grid (5923.03203s) stopped
T12 >> 1462257609.32950711 Poisson (1414.39186s) started
T12 << 1462257615.07722497 Poisson (1420.13958s) stopped
T12 >> 1462257615.07733703 Hartree integrate/restrict (76.50505s) started
T12 << 1462257615.12609911 Hartree integrate/restrict (76.55382s) stopped
T12 >> 1462257615.12618494 Hartree integrate/restrict (76.55388s) started
T12 << 1462257615.44122910 Hartree integrate/restrict (76.86892s) stopped
T12 >> 1462257615.44139194 Atomic (494.25354s) started
T12 >> 1462257615.44305491 XC Correction (0.00697s) started
T12 << 1462257615.44307089 XC Correction (0.00699s) stopped
T12 << 1462257617.77929711 Atomic (496.59145s) stopped
T12 >> 1462257617.77938294 Communicate (1577.69064s) started
T12 << 1462257627.25347400 Communicate (1587.16473s) stopped
T12 << 1462257627.25351095 Hamiltonian (9509.68641s) stopped
T12 >> 1462257627.25353599 LCAO eigensolver (13970.35460s) started
T12 >> 1462257627.25355005 Potential matrix (212.98560s) started
T12 << 1462257628.20371389 Potential matrix (213.93576s) stopped
T12 >> 1462257628.20378399 DistributedAtomicCorrection (83.07642s) started
T12 << 1462257628.58101606 DistributedAtomicCorrection (83.45365s) stopped
T12 >> 1462257628.58106303 Distribute overlap matrix (1511.38371s) started
T12 >> 1462257628.58108807 blocked summation (856.62779s) started
T12 << 1462257632.43502212 blocked summation (860.48173s) stopped
T12 >> 1462257632.44511795 Scalapack redistribute (652.58287s) started
T12 << 1462257635.55170608 Scalapack redistribute (655.68946s) stopped
T12 << 1462257635.55181599 Distribute overlap matrix (1518.35447s) stopped
T12 >> 1462257635.55612612 Blacs Orbital Layouts (11781.64554s) started
T12 >> 1462257635.56511998 General diagonalize (11733.28640s) started
T12 << 1462257686.70823789 General diagonalize (11784.42951s) stopped
T12 >> 1462257686.70829201 Redistribute coefs (1.76198s) started
T12 << 1462257686.71662402 Redistribute coefs (1.77031s) stopped
T12 >> 1462257686.71666908 Send coefs to domains (44.63548s) started
T12 << 1462257686.81337595 Send coefs to domains (44.73219s) stopped
T12 << 1462257686.81394100 Blacs Orbital Layouts (11832.90335s) stopped
T12 >> 1462257686.81396890 Calculate projections (380.17677s) started
T12 << 1462257688.51839209 Calculate projections (381.88119s) stopped
T12 << 1462257688.51873708 LCAO eigensolver (14031.61980s) stopped
T12 >> 1462257691.69224906 Density (3407.76626s) started
T12 >> 1462257691.69226408 Pseudo density (2650.83211s) started
T12 >> 1462257691.69499493 Calculate density matrix (2491.34606s) started
T12 << 1462257703.46347690 Calculate density matrix (2503.11454s) stopped
T12 >> 1462257703.46352410 Construct density (155.27127s) started
T12 << 1462257704.20678210 Construct density (156.01452s) stopped
T12 >> 1462257704.22051597 Symmetrize density (0.01775s) started
T12 << 1462257704.22057295 Symmetrize density (0.01781s) stopped
T12 << 1462257704.22269011 Pseudo density (2663.36254s) stopped
T12 >> 1462257704.22274899 Atomic density matrices (663.95945s) started
T12 << 1462257707.47595811 Atomic density matrices (667.21266s) stopped
T12 >> 1462257707.47599006 Multipole moments (2.00524s) started
T12 << 1462257707.48697591 Multipole moments (2.01623s) stopped
T12 >> 1462257707.48700595 Normalize (1.44311s) started
T12 << 1462257707.49322796 Normalize (1.44933s) stopped
T12 >> 1462257707.49327898 Mix (89.51078s) started
T12 << 1462257707.90583992 Mix (89.92334s) stopped
T12 << 1462257707.90590096 Density (3423.97992s) stopped
T12 >> 1462257707.90593410 Hamiltonian (9509.68642s) started
T12 >> 1462257707.90595007 vbar (5.78811s) started
T12 << 1462257707.92756009 vbar (5.80972s) stopped
T12 >> 1462257707.92766404 XC 3D grid (5923.03207s) started
T12 >> 1462257708.43232298 van der Waals (5723.50491s) started
T12 >> 1462257708.54132009 semilocal (1205.24627s) started
T12 << 1462257714.30935502 semilocal (1211.01430s) stopped
T12 >> 1462257714.39793706 redistribute (613.33958s) started
T12 << 1462257715.43967009 redistribute (614.38131s) stopped
T12 >> 1462257715.43971395 libvdwxc nonlocal (3864.97397s) started
T12 << 1462257734.21243906 libvdwxc nonlocal (3883.74670s) stopped
T12 >> 1462257734.21248293 redistribute (614.38135s) started
T12 << 1462257735.88379502 redistribute (616.05266s) stopped
T12 << 1462257735.88524294 van der Waals (5750.95783s) stopped
T12 << 1462257736.34519005 XC 3D grid (5951.44960s) stopped
T12 >> 1462257736.34523892 Poisson (1420.13967s) started
T12 << 1462257740.68814206 Poisson (1424.48257s) stopped
T12 >> 1462257740.68821597 Hartree integrate/restrict (76.86897s) started
T12 << 1462257740.73676109 Hartree integrate/restrict (76.91752s) stopped
T12 >> 1462257740.73681903 Hartree integrate/restrict (76.91755s) started
T12 << 1462257741.04380798 Hartree integrate/restrict (77.22454s) stopped
T12 >> 1462257741.04395509 Atomic (496.59147s) started
T12 >> 1462257741.04547596 XC Correction (0.00700s) started
T12 << 1462257741.04549003 XC Correction (0.00702s) stopped
T12 << 1462257743.39128494 Atomic (498.93880s) stopped
T12 >> 1462257743.39136910 Communicate (1587.16475s) started
T12 << 1462257752.82372808 Communicate (1596.59711s) stopped
T12 << 1462257752.82376003 Hamiltonian (9554.60425s) stopped
T12 >> 1462257752.82378411 LCAO eigensolver (14031.61982s) started
T12 >> 1462257752.82379603 Potential matrix (213.93580s) started
T12 << 1462257753.76932812 Potential matrix (214.88134s) stopped
T12 >> 1462257753.76939797 DistributedAtomicCorrection (83.45369s) started
T12 << 1462257754.14704204 DistributedAtomicCorrection (83.83134s) stopped
T12 >> 1462257754.14708710 Distribute overlap matrix (1518.35448s) started
T12 >> 1462257754.14711189 blocked summation (860.48176s) started
T12 << 1462257757.93492198 blocked summation (864.26957s) stopped
T12 >> 1462257757.94491005 Scalapack redistribute (655.68952s) started
T12 << 1462257761.07689404 Scalapack redistribute (658.82150s) stopped
T12 << 1462257761.07699704 Distribute overlap matrix (1525.28439s) stopped
T12 >> 1462257761.08102202 Blacs Orbital Layouts (11832.90337s) started
T12 >> 1462257761.08978200 General diagonalize (11784.42956s) started
T12 << 1462257814.81130600 General diagonalize (11838.15108s) stopped
T12 >> 1462257814.81135201 Redistribute coefs (1.77034s) started
T12 << 1462257814.81915402 Redistribute coefs (1.77814s) stopped
T12 >> 1462257814.81922698 Send coefs to domains (44.73222s) started
T12 << 1462257814.97960210 Send coefs to domains (44.89260s) stopped
T12 << 1462257814.98001289 Blacs Orbital Layouts (11886.80236s) stopped
T12 >> 1462257814.98004103 Calculate projections (381.88125s) started
T12 << 1462257816.68463898 Calculate projections (383.58584s) stopped
T12 << 1462257816.68495703 LCAO eigensolver (14095.48099s) stopped
T12 >> 1462257819.89729595 Density (3423.97993s) started
T12 >> 1462257819.89731097 Pseudo density (2663.36259s) started
T12 >> 1462257819.89999700 Calculate density matrix (2503.11458s) started
T12 << 1462257831.68915296 Calculate density matrix (2514.90373s) stopped
T12 >> 1462257831.68920302 Construct density (156.01458s) started
T12 << 1462257832.43436790 Construct density (156.75974s) stopped
T12 >> 1462257832.44841194 Symmetrize density (0.01782s) started
T12 << 1462257832.44846892 Symmetrize density (0.01788s) stopped
T12 << 1462257832.45061207 Pseudo density (2675.91589s) stopped
T12 >> 1462257832.45067096 Atomic density matrices (667.21268s) started
T12 << 1462257835.71288395 Atomic density matrices (670.47490s) stopped
T12 >> 1462257835.71291590 Multipole moments (2.01624s) started
T12 << 1462257835.72412395 Multipole moments (2.02745s) stopped
T12 >> 1462257835.72415495 Normalize (1.44937s) started
T12 << 1462257835.73023009 Normalize (1.45544s) stopped
T12 >> 1462257835.73028302 Mix (89.92340s) started
T12 << 1462257836.14397001 Mix (90.33708s) stopped
T12 << 1462257836.14402294 Density (3440.22666s) stopped
T12 >> 1462257836.14405107 Hamiltonian (9554.60426s) started
T12 >> 1462257836.14406610 vbar (5.80978s) started
T12 << 1462257836.17247295 vbar (5.83819s) stopped
T12 >> 1462257836.17262197 XC 3D grid (5951.44963s) started
T12 >> 1462257836.65357995 van der Waals (5750.95787s) started
T12 >> 1462257836.75987911 semilocal (1211.01445s) started
T12 << 1462257842.49408102 semilocal (1216.74865s) stopped
T12 >> 1462257842.58232999 redistribute (616.05270s) started
T12 << 1462257843.66089702 redistribute (617.13127s) stopped
T12 >> 1462257843.66093993 libvdwxc nonlocal (3883.74673s) started
T12 << 1462257862.54719901 libvdwxc nonlocal (3902.63299s) stopped
T12 >> 1462257862.54725695 redistribute (617.13130s) started
T12 << 1462257864.24609303 redistribute (618.83014s) stopped
T12 << 1462257864.24724007 van der Waals (5778.55153s) stopped
T12 << 1462257864.70602798 XC 3D grid (5979.98304s) stopped
T12 >> 1462257864.70609188 Poisson (1424.48262s) started
T12 << 1462257869.13986993 Poisson (1428.91640s) stopped
T12 >> 1462257869.13996100 Hartree integrate/restrict (77.22458s) started
T12 << 1462257869.19472790 Hartree integrate/restrict (77.27934s) stopped
T12 >> 1462257869.19477391 Hartree integrate/restrict (77.27937s) started
T12 << 1462257869.50349689 Hartree integrate/restrict (77.58809s) stopped
T12 >> 1462257869.50362396 Atomic (498.93883s) started
T12 >> 1462257869.50513101 XC Correction (0.00703s) started
T12 << 1462257869.50514603 XC Correction (0.00704s) stopped
T12 << 1462257871.84981799 Atomic (501.28502s) stopped
T12 >> 1462257871.84990311 Communicate (1596.59713s) started
T12 << 1462257881.30649400 Communicate (1606.05372s) stopped
T12 << 1462257881.30653000 Hamiltonian (9599.76674s) stopped
T12 >> 1462257881.30655503 LCAO eigensolver (14095.48101s) started
T12 >> 1462257881.30656791 Potential matrix (214.88138s) started
T12 << 1462257882.25176096 Potential matrix (215.82657s) stopped
T12 >> 1462257882.25184894 DistributedAtomicCorrection (83.83137s) started
T12 << 1462257882.63346410 DistributedAtomicCorrection (84.21299s) stopped
T12 >> 1462257882.63351011 Distribute overlap matrix (1525.28440s) started
T12 >> 1462257882.63353491 blocked summation (864.26960s) started
T12 << 1462257886.51339197 blocked summation (868.14946s) stopped
T12 >> 1462257886.52302289 Scalapack redistribute (658.82156s) started
T12 << 1462257889.57628894 Scalapack redistribute (661.87482s) stopped
T12 << 1462257889.57639909 Distribute overlap matrix (1532.22729s) stopped
T12 >> 1462257889.58047509 Blacs Orbital Layouts (11886.80238s) started
T12 >> 1462257889.58940196 General diagonalize (11838.15112s) started
T12 << 1462257943.18343401 General diagonalize (11891.74515s) stopped
T12 >> 1462257943.18348098 Redistribute coefs (1.77820s) started
T12 << 1462257943.19102192 Redistribute coefs (1.78574s) stopped
T12 >> 1462257943.19110203 Send coefs to domains (44.89263s) started
T12 << 1462257943.34130406 Send coefs to domains (45.04283s) stopped
T12 << 1462257943.34175706 Blacs Orbital Layouts (11940.56366s) stopped
T12 >> 1462257943.34178400 Calculate projections (383.58589s) started
T12 << 1462257945.04816890 Calculate projections (385.29228s) stopped
T12 << 1462257945.04850411 LCAO eigensolver (14159.22296s) stopped
T12 >> 1462257948.25033808 Density (3440.22667s) started
T12 >> 1462257948.25035310 Pseudo density (2675.91594s) started
T12 >> 1462257948.25280404 Calculate density matrix (2514.90377s) started
T12 << 1462257960.34009600 Calculate density matrix (2526.99106s) stopped
T12 >> 1462257960.34014392 Construct density (156.75980s) started
T12 << 1462257961.08497310 Construct density (157.50462s) stopped
T12 >> 1462257961.09918094 Symmetrize density (0.01790s) started
T12 << 1462257961.09923792 Symmetrize density (0.01795s) stopped
T12 << 1462257961.10137391 Pseudo density (2688.76696s) stopped
T12 >> 1462257961.10143304 Atomic density matrices (670.47492s) started
T12 << 1462257964.39309406 Atomic density matrices (673.76658s) stopped
T12 >> 1462257964.39312506 Multipole moments (2.02747s) started
T12 << 1462257964.40414310 Multipole moments (2.03848s) stopped
T12 >> 1462257964.40417290 Normalize (1.45548s) started
T12 << 1462257964.41035509 Normalize (1.46166s) stopped
T12 >> 1462257964.41040802 Mix (90.33714s) started
T12 << 1462257964.82642603 Mix (90.75315s) stopped
T12 << 1462257964.82647896 Density (3456.80281s) stopped
T12 >> 1462257964.82650590 Hamiltonian (9599.76675s) started
T12 >> 1462257964.82651997 vbar (5.83828s) started
T12 << 1462257964.85129690 vbar (5.86305s) stopped
T12 >> 1462257964.85144591 XC 3D grid (5979.98309s) started
T12 >> 1462257965.34523606 van der Waals (5778.55157s) started
T12 >> 1462257965.45260906 semilocal (1216.74879s) started
T12 << 1462257971.22870493 semilocal (1222.52489s) stopped
T12 >> 1462257971.31998610 redistribute (618.83018s) started
T12 << 1462257972.32483506 redistribute (619.83503s) stopped
T12 >> 1462257972.32487702 libvdwxc nonlocal (3902.63303s) started
T12 << 1462257991.25884295 libvdwxc nonlocal (3921.56700s) stopped
T12 >> 1462257991.25888491 redistribute (619.83506s) started
T12 << 1462257992.96052194 redistribute (621.53670s) stopped
T12 << 1462257992.96175599 van der Waals (5806.16809s) stopped
T12 << 1462257993.42105794 XC 3D grid (6008.55271s) stopped
T12 >> 1462257993.42109799 Poisson (1428.91647s) started
T12 << 1462257997.87178493 Poisson (1433.36716s) stopped
T12 >> 1462257997.87184906 Hartree integrate/restrict (77.58813s) started
T12 << 1462257997.92863202 Hartree integrate/restrict (77.64491s) stopped
T12 >> 1462257997.92867494 Hartree integrate/restrict (77.64493s) started
T12 << 1462257998.24236989 Hartree integrate/restrict (77.95863s) stopped
T12 >> 1462257998.24254298 Atomic (501.28504s) started
T12 >> 1462257998.24418592 XC Correction (0.00705s) started
T12 << 1462257998.24420404 XC Correction (0.00707s) stopped
T12 << 1462258000.58907604 Atomic (503.63158s) stopped
T12 >> 1462258000.58915901 Communicate (1606.05375s) started
T12 << 1462258010.00965691 Communicate (1615.47425s) stopped
T12 << 1462258010.00969291 Hamiltonian (9644.94994s) stopped
T12 >> 1462258010.00971889 LCAO eigensolver (14159.22298s) started
T12 >> 1462258010.00973201 Potential matrix (215.82662s) started
T12 << 1462258010.97103405 Potential matrix (216.78792s) stopped
T12 >> 1462258010.97111893 DistributedAtomicCorrection (84.21303s) started
T12 << 1462258011.34808207 DistributedAtomicCorrection (84.58999s) stopped
T12 >> 1462258011.34812808 Distribute overlap matrix (1532.22730s) started
T12 >> 1462258011.34815311 blocked summation (868.14949s) started
T12 << 1462258015.23412609 blocked summation (872.03546s) stopped
T12 >> 1462258015.24456596 Scalapack redistribute (661.87488s) started
T12 << 1462258018.29206991 Scalapack redistribute (664.92239s) stopped
T12 << 1462258018.29218411 Distribute overlap matrix (1539.17136s) stopped
T12 >> 1462258018.29636407 Blacs Orbital Layouts (11940.56368s) started
T12 >> 1462258018.30486488 General diagonalize (11891.74519s) started
T12 << 1462258072.06598592 General diagonalize (11945.50631s) stopped
T12 >> 1462258072.06603098 Redistribute coefs (1.78581s) started
T12 << 1462258072.07365394 Redistribute coefs (1.79343s) stopped
T12 >> 1462258072.07373095 Send coefs to domains (45.04287s) started
T12 << 1462258072.18032694 Send coefs to domains (45.14946s) stopped
T12 << 1462258072.18073702 Blacs Orbital Layouts (11994.44805s) stopped
T12 >> 1462258072.18076396 Calculate projections (385.29233s) started
T12 << 1462258073.88422799 Calculate projections (386.99579s) stopped
T12 << 1462258073.88455510 LCAO eigensolver (14223.09782s) stopped
T12 >> 1462258077.09302711 Density (3456.80283s) started
T12 >> 1462258077.09304309 Pseudo density (2688.76700s) started
T12 >> 1462258077.09568596 Calculate density matrix (2526.99110s) started
T12 << 1462258088.93954492 Calculate density matrix (2538.83495s) stopped
T12 >> 1462258088.93959188 Construct density (157.50468s) started
T12 << 1462258089.68196011 Construct density (158.24704s) stopped
T12 >> 1462258089.69589496 Symmetrize density (0.01797s) started
T12 << 1462258089.69595098 Symmetrize density (0.01803s) stopped
T12 << 1462258089.69808793 Pseudo density (2701.37205s) stopped
T12 >> 1462258089.69814491 Atomic density matrices (673.76661s) started
T12 << 1462258092.99765301 Atomic density matrices (677.06611s) stopped
T12 >> 1462258092.99768496 Multipole moments (2.03850s) started
T12 << 1462258093.00866103 Multipole moments (2.04948s) stopped
T12 >> 1462258093.00869107 Normalize (1.46170s) started
T12 << 1462258093.01477790 Normalize (1.46779s) stopped
T12 >> 1462258093.01486206 Mix (90.75321s) started
T12 << 1462258093.42736506 Mix (91.16571s) stopped
T12 << 1462258093.42742610 Density (3473.13723s) stopped
T12 >> 1462258093.42745304 Hamiltonian (9644.94995s) started
T12 >> 1462258093.42746806 vbar (5.86314s) started
T12 << 1462258093.44985390 vbar (5.88553s) stopped
T12 >> 1462258093.44997311 XC 3D grid (6008.55274s) started
T12 >> 1462258093.94726205 van der Waals (5806.16814s) started
T12 >> 1462258094.05426002 semilocal (1222.52500s) started
T12 << 1462258099.88394189 semilocal (1228.35468s) stopped
T12 >> 1462258099.96410489 redistribute (621.53673s) started
T12 << 1462258100.91146207 redistribute (622.48409s) stopped
T12 >> 1462258100.91150403 libvdwxc nonlocal (3921.56703s) started
T12 << 1462258119.75937700 libvdwxc nonlocal (3940.41490s) stopped
T12 >> 1462258119.75942707 redistribute (622.48412s) started
T12 << 1462258121.54912090 redistribute (624.27381s) stopped
T12 << 1462258121.55039310 van der Waals (5833.77127s) stopped
T12 << 1462258122.00768495 XC 3D grid (6037.11045s) stopped
T12 >> 1462258122.00772405 Poisson (1433.36721s) started
T12 << 1462258126.44011903 Poisson (1437.79960s) stopped
T12 >> 1462258126.44018412 Hartree integrate/restrict (77.95868s) started
T12 << 1462258126.48917103 Hartree integrate/restrict (78.00767s) stopped
T12 >> 1462258126.48921609 Hartree integrate/restrict (78.00770s) started
T12 << 1462258126.81381893 Hartree integrate/restrict (78.33230s) stopped
T12 >> 1462258126.81398511 Atomic (503.63160s) started
T12 >> 1462258126.81548405 XC Correction (0.00708s) started
T12 << 1462258126.81549811 XC Correction (0.00710s) stopped
T12 << 1462258129.16724205 Atomic (505.98485s) stopped
T12 >> 1462258129.16732788 Communicate (1615.47427s) started
T12 << 1462258138.61466789 Communicate (1624.92161s) stopped
T12 << 1462258138.61470509 Hamiltonian (9690.13720s) stopped
T12 >> 1462258138.61472988 LCAO eigensolver (14223.09784s) started
T12 >> 1462258138.61474299 Potential matrix (216.78797s) started
T12 << 1462258139.57050896 Potential matrix (217.74374s) stopped
T12 >> 1462258139.57059503 DistributedAtomicCorrection (84.59003s) started
T12 << 1462258139.95180011 DistributedAtomicCorrection (84.97123s) stopped
T12 >> 1462258139.95184708 Distribute overlap matrix (1539.17137s) started
T12 >> 1462258139.95187306 blocked summation (872.03549s) started
T12 << 1462258143.86854696 blocked summation (875.95217s) stopped
T12 >> 1462258143.87795997 Scalapack redistribute (664.92245s) started
T12 << 1462258146.88643503 Scalapack redistribute (667.93092s) stopped
T12 << 1462258146.88654494 Distribute overlap matrix (1546.10607s) stopped
T12 >> 1462258146.89125705 Blacs Orbital Layouts (11994.44807s) started
T12 >> 1462258146.90000606 General diagonalize (11945.50634s) started
T12 << 1462258200.88974309 General diagonalize (11999.49608s) stopped
T12 >> 1462258200.88979197 Redistribute coefs (1.79349s) started
T12 << 1462258200.89736509 Redistribute coefs (1.80107s) stopped
T12 >> 1462258200.89745212 Send coefs to domains (45.14950s) started
T12 << 1462258200.99411988 Send coefs to domains (45.24616s) stopped
T12 << 1462258200.99450111 Blacs Orbital Layouts (12048.55132s) stopped
T12 >> 1462258200.99452901 Calculate projections (386.99584s) started
T12 << 1462258202.69870710 Calculate projections (388.70002s) stopped
T12 << 1462258202.69905496 LCAO eigensolver (14287.18216s) stopped
T12 >> 1462258205.91708493 Density (3473.13724s) started
T12 >> 1462258205.91709995 Pseudo density (2701.37209s) started
T12 >> 1462258205.91950607 Calculate density matrix (2538.83499s) started
T12 << 1462258217.73743796 Calculate density matrix (2550.65292s) stopped
T12 >> 1462258217.73748708 Construct density (158.24710s) started
T12 << 1462258218.48115206 Construct density (158.99076s) stopped
T12 >> 1462258218.49515700 Symmetrize density (0.01804s) started
T12 << 1462258218.49521995 Symmetrize density (0.01810s) stopped
T12 << 1462258218.49736190 Pseudo density (2713.95236s) stopped
T12 >> 1462258218.49742103 Atomic density matrices (677.06614s) started
T12 << 1462258221.80062509 Atomic density matrices (680.36934s) stopped
T12 >> 1462258221.80065608 Multipole moments (2.04949s) started
T12 << 1462258221.81189799 Multipole moments (2.06073s) stopped
T12 >> 1462258221.81192899 Normalize (1.46786s) started
T12 << 1462258221.81803799 Normalize (1.47397s) stopped
T12 >> 1462258221.81812596 Mix (91.16577s) started
T12 << 1462258222.22886109 Mix (91.57650s) stopped
T12 << 1462258222.22890401 Density (3489.44906s) stopped
T12 >> 1462258222.22892809 Hamiltonian (9690.13722s) started
T12 >> 1462258222.22894192 vbar (5.88560s) started
T12 << 1462258222.25689697 vbar (5.91356s) stopped
T12 >> 1462258222.25702906 XC 3D grid (6037.11048s) started
T12 >> 1462258222.74167490 van der Waals (5833.77130s) started
T12 >> 1462258222.84834695 semilocal (1228.35478s) started
T12 << 1462258228.59263396 semilocal (1234.09907s) stopped
T12 >> 1462258228.68159699 redistribute (624.27385s) started
T12 << 1462258229.69861388 redistribute (625.29087s) stopped
T12 >> 1462258229.69868398 libvdwxc nonlocal (3940.41494s) started
T12 << 1462258248.93607903 libvdwxc nonlocal (3959.65234s) stopped
T12 >> 1462258248.93614292 redistribute (625.29093s) started
T12 << 1462258250.82380891 redistribute (627.17859s) stopped
T12 << 1462258250.82482696 van der Waals (5861.85445s) stopped
T12 << 1462258251.29987192 XC 3D grid (6066.15332s) stopped
T12 >> 1462258251.29992604 Poisson (1437.79965s) started
T12 << 1462258255.80298209 Poisson (1442.30271s) stopped
T12 >> 1462258255.80310512 Hartree integrate/restrict (78.33235s) started
T12 << 1462258255.85742688 Hartree integrate/restrict (78.38667s) stopped
T12 >> 1462258255.85752702 Hartree integrate/restrict (78.38674s) started
T12 << 1462258256.18167496 Hartree integrate/restrict (78.71089s) stopped
T12 >> 1462258256.18185711 Atomic (505.98488s) started
T12 >> 1462258256.18345904 XC Correction (0.00711s) started
T12 << 1462258256.18347812 XC Correction (0.00713s) stopped
T12 << 1462258258.52557802 Atomic (508.32860s) stopped
T12 >> 1462258258.52566504 Communicate (1624.92163s) started
T12 << 1462258267.97774410 Communicate (1634.37371s) stopped
T12 << 1462258267.97778106 Hamiltonian (9735.88607s) stopped
T12 >> 1462258267.97780991 LCAO eigensolver (14287.18218s) started
T12 >> 1462258267.97782397 Potential matrix (217.74379s) started
T12 << 1462258268.93331909 Potential matrix (218.69929s) stopped
T12 >> 1462258268.93340707 DistributedAtomicCorrection (84.97127s) started
T12 << 1462258269.31300592 DistributedAtomicCorrection (85.35087s) stopped
T12 >> 1462258269.31305289 Distribute overlap matrix (1546.10608s) started
T12 >> 1462258269.31307912 blocked summation (875.95220s) started
T12 << 1462258273.18320608 blocked summation (879.82232s) stopped
T12 >> 1462258273.19313908 Scalapack redistribute (667.93098s) started
T12 << 1462258276.26249695 Scalapack redistribute (671.00034s) stopped
T12 << 1462258276.26259398 Distribute overlap matrix (1553.05562s) stopped
T12 >> 1462258276.26684308 Blacs Orbital Layouts (12048.55134s) started
T12 >> 1462258276.27567101 General diagonalize (11999.49612s) started
T12 << 1462258329.90410495 General diagonalize (12053.12455s) stopped
T12 >> 1462258329.90415907 Redistribute coefs (1.80114s) started
T12 << 1462258329.91295505 Redistribute coefs (1.80994s) stopped
T12 >> 1462258329.91300201 Send coefs to domains (45.24620s) started
T12 << 1462258330.02244210 Send coefs to domains (45.35564s) stopped
T12 << 1462258330.02299309 Blacs Orbital Layouts (12102.30749s) stopped
T12 >> 1462258330.02302408 Calculate projections (388.70007s) started
T12 << 1462258331.73857188 Calculate projections (390.41562s) stopped
T12 << 1462258331.73902297 LCAO eigensolver (14350.94339s) stopped
T12 << 1462258334.93393803 SCF-cycle (28301.34281s) stopped
T12 >> 1462258337.10364199 Force calculation (961.81590s) started
T12 >> 1462258337.10371590 LCAO forces (951.03776s) started
T12 >> 1462258337.10409498 Initial (0.00029s) started
T12 << 1462258337.10410690 Initial (0.00030s) stopped
T12 >> 1462258337.11004496 Get density matrix (503.03084s) started
T12 << 1462258346.24053907 Get density matrix (512.16133s) stopped
T12 >> 1462258346.24058604 Potential (76.93966s) started
T12 << 1462258352.15083408 Potential (82.84991s) stopped
T12 >> 1462258352.15089107 Get density matrix (512.16137s) started
T12 << 1462258382.20543909 Get density matrix (542.21592s) stopped
T12 >> 1462258382.20550704 Prepare TCI loop (26.89847s) started
T12 >> 1462258382.20602894 Get neighbors (24.45607s) started
T12 << 1462258384.19617796 Get neighbors (26.44622s) stopped
T12 >> 1462258384.19683290 broadcast dH (2.42851s) started
T12 << 1462258384.25500703 broadcast dH (2.48668s) stopped
T12 << 1462258384.25505400 Prepare TCI loop (28.94802s) stopped
T12 >> 1462258384.25507498 Not so complicated loop (1.50353s) started
T12 << 1462258384.37475801 Not so complicated loop (1.62321s) stopped
T12 >> 1462258384.49562597 Complicated loop (223.06246s) started
T12 << 1462258402.56210303 Complicated loop (241.12894s) stopped
T12 >> 1462258402.56310105 Wait for sum (118.04648s) started
T12 << 1462258411.70535493 Wait for sum (127.18873s) stopped
T12 << 1462258411.70539308 LCAO forces (1025.63944s) stopped
T12 << 1462258412.56912589 Force calculation (1037.28139s) stopped
T12 >> 1462258412.58722210 Initialization (1600.48118s) started
T12 << 1462258412.58739209 Initialization (1600.48135s) stopped
T12 >> 1462258412.58761001 Initialization (1600.48137s) started
T12 << 1462258412.58774090 Initialization (1600.48150s) stopped
T12 >> 1462258412.58787894 Initialization (1600.48151s) started
T12 << 1462258412.58800507 Initialization (1600.48164s) stopped
T12 >> 1462258432.90096211 Initialization (1600.48166s) started
T12 >> 1462258433.01478505 Basic WFS set positions (1.13893s) started
T12 >> 1462258433.01481104 Redistribute (0.00482s) started
T12 << 1462258433.01494908 Redistribute (0.00496s) stopped
T12 << 1462258433.10169411 Basic WFS set positions (1.22584s) stopped
T12 >> 1462258433.10171795 Basis functions set positions (23.08607s) started
T12 << 1462258434.82966995 Basis functions set positions (24.81402s) stopped
T12 >> 1462258434.83006191 TCI: Calculate S, T, P (198.15048s) started
T12 << 1462258449.45988703 TCI: Calculate S, T, P (212.78031s) stopped
T12 >> 1462258449.45994806 blocked summation (245.80331s) started
T12 << 1462258468.92002702 blocked summation (265.26338s) stopped
T12 >> 1462258468.92961502 Scalapack redistribute (93.44981s) started
T12 << 1462258477.27654600 Scalapack redistribute (101.79674s) stopped
T12 >> 1462258477.27768493 blocked summation (265.26344s) started
T12 << 1462258478.28675294 blocked summation (266.27251s) stopped
T12 >> 1462258478.29745507 Scalapack redistribute (101.79681s) started
T12 << 1462258478.54479289 Scalapack redistribute (102.04415s) stopped
T12 >> 1462258478.54685593 Redistribute (0.01262s) started
T12 << 1462258478.54738593 Redistribute (0.01315s) stopped
T12 >> 1462258480.17856789 Redistribute (0.01317s) started
T12 << 1462258480.17901897 Redistribute (0.01362s) stopped
T12 >> 1462258480.19643998 LCAO WFS Initialize (1008.98312s) started
T12 >> 1462258480.19648099 Density initialize from wavefunctions (183.92221s) started
T12 >> 1462258480.20057297 Calculate density matrix (128.49035s) started
T12 << 1462258489.99913311 Calculate density matrix (138.28891s) stopped
T12 >> 1462258489.99918699 Construct density (9.63263s) started
T12 << 1462258490.74080491 Construct density (10.37425s) stopped
T12 >> 1462258490.75613809 Symmetrize density (0.00106s) started
T12 << 1462258490.75620294 Symmetrize density (0.00113s) stopped
T12 << 1462258494.33438897 Density initialize from wavefunctions (198.06012s) stopped
T12 >> 1462258494.33469009 Hamiltonian (824.14381s) started
T12 >> 1462258494.33470988 vbar (0.41702s) started
T12 << 1462258494.37001300 vbar (0.45233s) stopped
T12 >> 1462258494.37024403 XC 3D grid (403.26544s) started
T12 >> 1462258494.83577704 van der Waals (389.91178s) started
T12 >> 1462258494.94731092 semilocal (81.15661s) started
T12 << 1462258500.75865698 semilocal (86.96795s) stopped
T12 >> 1462258500.84662890 redistribute (46.73178s) started
T12 << 1462258501.83394504 redistribute (47.71909s) stopped
T12 >> 1462258501.83400512 libvdwxc nonlocal (259.32955s) started
T12 << 1462258520.02836299 libvdwxc nonlocal (277.52390s) stopped
T12 >> 1462258520.02844000 redistribute (47.71913s) started
T12 << 1462258523.13125610 redistribute (50.82195s) stopped
T12 << 1462258523.13239503 van der Waals (418.20840s) stopped
T12 << 1462258523.58593106 XC 3D grid (432.48113s) stopped
T12 >> 1462258523.58599496 Poisson (241.91917s) started
T12 << 1462258540.73942304 Poisson (259.07260s) stopped
T12 >> 1462258540.73957705 Hartree integrate/restrict (5.14161s) started
T12 << 1462258540.78397989 Hartree integrate/restrict (5.18602s) stopped
T12 >> 1462258540.78402996 Hartree integrate/restrict (5.18605s) started
T12 << 1462258541.12658095 Hartree integrate/restrict (5.52860s) stopped
T12 >> 1462258541.12699509 Atomic (32.76543s) started
T12 >> 1462258541.13112807 XC Correction (0.00058s) started
T12 << 1462258541.13115907 XC Correction (0.00061s) stopped
T12 << 1462258543.44491696 Atomic (35.08335s) stopped
T12 >> 1462258543.44508195 Communicate (140.60317s) started
T12 << 1462258555.43659210 Communicate (152.59468s) stopped
T12 << 1462258555.43661809 Hamiltonian (885.24574s) stopped
T12 << 1462258555.43663096 LCAO WFS Initialize (1084.22331s) stopped
T12 << 1462258555.44854093 Initialization (1723.02924s) stopped
T12 >> 1462258555.47420311 SCF-cycle (28301.34283s) started
T12 >> 1462258555.47423506 LCAO eigensolver (14350.94341s) started
T12 >> 1462258555.47424793 Potential matrix (218.69934s) started
T12 << 1462258556.42589402 Potential matrix (219.65098s) stopped
T12 >> 1462258556.42598104 DistributedAtomicCorrection (85.35091s) started
T12 << 1462258556.79577804 DistributedAtomicCorrection (85.72071s) stopped
T12 >> 1462258556.79582500 Distribute overlap matrix (1553.05564s) started
T12 >> 1462258556.79585099 blocked summation (879.82235s) started
T12 << 1462258560.90834498 blocked summation (883.93485s) stopped
T12 >> 1462258560.91725397 Scalapack redistribute (671.00040s) started
T12 << 1462258564.12634206 Scalapack redistribute (674.20949s) stopped
T12 << 1462258564.12645102 Distribute overlap matrix (1560.38626s) stopped
T12 >> 1462258564.13076806 Blacs Orbital Layouts (12102.30751s) started
T12 >> 1462258564.13898492 General diagonalize (12053.12460s) started
T12 << 1462258619.77325511 General diagonalize (12108.75887s) stopped
T12 >> 1462258619.77329898 Redistribute coefs (1.80997s) started
T12 << 1462258619.78103495 Redistribute coefs (1.81771s) stopped
T12 >> 1462258619.78107595 Send coefs to domains (45.35567s) started
T12 << 1462258619.92469501 Send coefs to domains (45.49929s) stopped
T12 << 1462258619.92487597 Blacs Orbital Layouts (12158.10161s) stopped
T12 >> 1462258619.92490411 Calculate projections (390.41568s) started
T12 << 1462258621.63101006 Calculate projections (392.12178s) stopped
T12 << 1462258621.63119793 LCAO eigensolver (14417.10037s) stopped
T12 >> 1462258624.81551909 Density (3489.44907s) started
T12 >> 1462258624.81553411 Pseudo density (2713.95240s) started
T12 >> 1462258624.81789088 Calculate density matrix (2550.65295s) started
T12 << 1462258636.73446488 Calculate density matrix (2562.56953s) stopped
T12 >> 1462258636.73451304 Construct density (158.99081s) started
T12 << 1462258637.47467709 Construct density (159.73098s) stopped
T12 >> 1462258637.49081802 Symmetrize density (0.01812s) started
T12 << 1462258637.49087691 Symmetrize density (0.01818s) stopped
T12 << 1462258637.49333096 Pseudo density (2726.63020s) stopped
T12 >> 1462258637.49338794 Atomic density matrices (680.36937s) started
T12 << 1462258640.82260990 Atomic density matrices (683.69859s) stopped
T12 >> 1462258640.82264090 Multipole moments (2.06075s) started
T12 << 1462258640.83400607 Multipole moments (2.07211s) stopped
T12 >> 1462258640.83402991 Normalize (1.47404s) started
T12 << 1462258640.84076309 Normalize (1.48077s) stopped
T12 >> 1462258640.84081602 Mix (91.57655s) started
T12 << 1462258641.24388790 Mix (91.97962s) stopped
T12 << 1462258641.24394608 Density (3505.87750s) stopped
T12 >> 1462258641.24397397 Hamiltonian (9735.88608s) started
T12 >> 1462258641.24398899 vbar (5.91364s) started
T12 << 1462258641.26442003 vbar (5.93407s) stopped
T12 >> 1462258641.26451492 XC 3D grid (6066.15336s) started
T12 >> 1462258641.78320694 van der Waals (5861.85447s) started
T12 >> 1462258641.89860106 semilocal (1234.09916s) started
T12 << 1462258647.69829607 semilocal (1239.89886s) stopped
T12 >> 1462258647.76977801 redistribute (627.17865s) started
T12 << 1462258648.75574088 redistribute (628.16461s) stopped
T12 >> 1462258648.75581598 libvdwxc nonlocal (3959.65238s) started
T12 << 1462258667.31572890 libvdwxc nonlocal (3978.21230s) stopped
T12 >> 1462258667.31580997 redistribute (628.16467s) started
T12 << 1462258669.10348511 redistribute (629.95235s) stopped
T12 << 1462258669.10484505 van der Waals (5889.17611s) stopped
T12 << 1462258669.56239700 XC 3D grid (6094.45125s) stopped
T12 >> 1462258669.56243610 Poisson (1442.30281s) started
T12 << 1462258676.76769495 Poisson (1449.50806s) stopped
T12 >> 1462258676.76776004 Hartree integrate/restrict (78.71095s) started
T12 << 1462258676.81365991 Hartree integrate/restrict (78.75685s) stopped
T12 >> 1462258676.81370497 Hartree integrate/restrict (78.75687s) started
T12 << 1462258677.12556505 Hartree integrate/restrict (79.06873s) stopped
T12 >> 1462258677.12573409 Atomic (508.32862s) started
T12 >> 1462258677.12758088 XC Correction (0.00714s) started
T12 << 1462258677.12759590 XC Correction (0.00715s) stopped
T12 << 1462258679.49327898 Atomic (510.69616s) stopped
T12 >> 1462258679.49344993 Communicate (1634.37374s) started
T12 << 1462258691.24586606 Communicate (1646.12615s) stopped
T12 << 1462258691.24589992 Hamiltonian (9785.88801s) stopped
T12 >> 1462258691.24592495 LCAO eigensolver (14417.10039s) started
T12 >> 1462258691.24593806 Potential matrix (219.65104s) started
T12 << 1462258692.19864297 Potential matrix (220.60374s) stopped
T12 >> 1462258692.19872689 DistributedAtomicCorrection (85.72075s) started
T12 << 1462258692.57408595 DistributedAtomicCorrection (86.09611s) stopped
T12 >> 1462258692.57413292 Distribute overlap matrix (1560.38627s) started
T12 >> 1462258692.57415795 blocked summation (883.93490s) started
T12 << 1462258696.50839090 blocked summation (887.86913s) stopped
T12 >> 1462258696.51770997 Scalapack redistribute (674.20955s) started
T12 << 1462258699.92106009 Scalapack redistribute (677.61290s) stopped
T12 << 1462258699.92110705 Distribute overlap matrix (1567.73325s) stopped
T12 >> 1462258699.92654300 Blacs Orbital Layouts (12158.10163s) started
T12 >> 1462258699.93482304 General diagonalize (12108.75890s) started
T12 << 1462258755.04446006 General diagonalize (12163.86854s) stopped
T12 >> 1462258755.04451394 Redistribute coefs (1.81774s) started
T12 << 1462258755.05295205 Redistribute coefs (1.82618s) stopped
T12 >> 1462258755.05303001 Send coefs to domains (45.49932s) started
T12 << 1462258755.15828896 Send coefs to domains (45.60458s) stopped
T12 << 1462258755.15858793 Blacs Orbital Layouts (12213.33368s) stopped
T12 >> 1462258755.15861893 Calculate projections (392.12183s) started
T12 << 1462258756.87670994 Calculate projections (393.83993s) stopped
T12 << 1462258756.87695909 LCAO eigensolver (14482.73143s) stopped
T12 >> 1462258760.04922891 Density (3505.87751s) started
T12 >> 1462258760.04924512 Pseudo density (2726.63025s) started
T12 >> 1462258760.05139399 Calculate density matrix (2562.56956s) started
T12 << 1462258772.01478791 Calculate density matrix (2574.53295s) stopped
T12 >> 1462258772.01484895 Construct density (159.73103s) started
T12 << 1462258772.75787807 Construct density (160.47406s) stopped
T12 >> 1462258772.77187705 Symmetrize density (0.01820s) started
T12 << 1462258772.77195907 Symmetrize density (0.01828s) stopped
T12 << 1462258772.77406311 Pseudo density (2739.35507s) stopped
T12 >> 1462258772.77413106 Atomic density matrices (683.69861s) started
T12 << 1462258776.04981995 Atomic density matrices (686.97430s) stopped
T12 >> 1462258776.04985595 Multipole moments (2.07213s) started
T12 << 1462258776.06130910 Multipole moments (2.08358s) stopped
T12 >> 1462258776.06133294 Normalize (1.48081s) started
T12 << 1462258776.06754303 Normalize (1.48702s) stopped
T12 >> 1462258776.06762910 Mix (91.97968s) started
T12 << 1462258776.46830392 Mix (92.38035s) stopped
T12 << 1462258776.46835709 Density (3522.29664s) stopped
T12 >> 1462258776.46838403 Hamiltonian (9785.88802s) started
T12 >> 1462258776.46839905 vbar (5.93413s) started
T12 << 1462258776.49887609 vbar (5.96460s) stopped
T12 >> 1462258776.49896789 XC 3D grid (6094.45128s) started
T12 >> 1462258776.98097301 van der Waals (5889.17614s) started
T12 >> 1462258777.09442997 semilocal (1239.89893s) started
T12 << 1462258782.90744901 semilocal (1245.71195s) stopped
T12 >> 1462258782.98224998 redistribute (629.95240s) started
T12 << 1462258783.96597290 redistribute (630.93612s) stopped
T12 >> 1462258783.96603394 libvdwxc nonlocal (3978.21236s) started
T12 << 1462258802.88157892 libvdwxc nonlocal (3997.12791s) stopped
T12 >> 1462258802.88164496 redistribute (630.93617s) started
T12 << 1462258804.61425805 redistribute (632.66879s) stopped
T12 << 1462258804.61538506 van der Waals (5916.81055s) stopped
T12 << 1462258805.07924104 XC 3D grid (6123.03155s) stopped
T12 >> 1462258805.07930112 Poisson (1449.50811s) started
T12 << 1462258818.06196308 Poisson (1462.49078s) stopped
T12 >> 1462258818.06202507 Hartree integrate/restrict (79.06878s) started
T12 << 1462258818.11073995 Hartree integrate/restrict (79.11750s) stopped
T12 >> 1462258818.11079097 Hartree integrate/restrict (79.11753s) started
T12 << 1462258818.42091393 Hartree integrate/restrict (79.42765s) stopped
T12 >> 1462258818.42108393 Atomic (510.69619s) started
T12 >> 1462258818.42281294 XC Correction (0.00716s) started
T12 << 1462258818.42282796 XC Correction (0.00718s) stopped
T12 << 1462258820.77700901 Atomic (513.05211s) stopped
T12 >> 1462258820.77717209 Communicate (1646.12618s) started
T12 << 1462258832.39437294 Communicate (1657.74338s) stopped
T12 << 1462258832.39440894 Hamiltonian (9841.81405s) stopped
T12 >> 1462258832.39443302 LCAO eigensolver (14482.73145s) started
T12 >> 1462258832.39444494 Potential matrix (220.60379s) started
T12 << 1462258833.35233808 Potential matrix (221.56168s) stopped
T12 >> 1462258833.35242200 DistributedAtomicCorrection (86.09614s) started
T12 << 1462258833.73073506 DistributedAtomicCorrection (86.47446s) stopped
T12 >> 1462258833.73078299 Distribute overlap matrix (1567.73326s) started
T12 >> 1462258833.73081112 blocked summation (887.86918s) started
T12 << 1462258837.59757209 blocked summation (891.73594s) stopped
T12 >> 1462258837.60763192 Scalapack redistribute (677.61293s) started
T12 << 1462258840.74260712 Scalapack redistribute (680.74791s) stopped
T12 << 1462258840.74268603 Distribute overlap matrix (1574.74516s) stopped
T12 >> 1462258840.74717689 Blacs Orbital Layouts (12213.33370s) started
T12 >> 1462258840.75550103 General diagonalize (12163.86858s) started
T12 << 1462258894.37455893 General diagonalize (12217.48764s) stopped
T12 >> 1462258894.37460399 Redistribute coefs (1.82624s) started
T12 << 1462258894.38168907 Redistribute coefs (1.83333s) stopped
T12 >> 1462258894.38177204 Send coefs to domains (45.60466s) started
T12 << 1462258894.60529900 Send coefs to domains (45.82818s) stopped
T12 << 1462258894.60549593 Blacs Orbital Layouts (12267.19202s) stopped
T12 >> 1462258894.60552597 Calculate projections (393.83999s) started
T12 << 1462258896.31342793 Calculate projections (395.54789s) stopped
T12 << 1462258896.31361890 LCAO eigensolver (14546.65063s) stopped
T12 >> 1462258899.50795507 Density (3522.29665s) started
T12 >> 1462258899.50796890 Pseudo density (2739.35512s) started
T12 >> 1462258899.51034904 Calculate density matrix (2574.53300s) started
T12 << 1462258911.28127909 Calculate density matrix (2586.30393s) stopped
T12 >> 1462258911.28132510 Construct density (160.47412s) started
T12 << 1462258912.02447009 Construct density (161.21726s) stopped
T12 >> 1462258912.04080892 Symmetrize density (0.01830s) started
T12 << 1462258912.04087996 Symmetrize density (0.01837s) stopped
T12 << 1462258912.04333496 Pseudo density (2751.89049s) stopped
T12 >> 1462258912.04339409 Atomic density matrices (686.97433s) started
T12 << 1462258915.34193993 Atomic density matrices (690.27288s) stopped
T12 >> 1462258915.34197402 Multipole moments (2.08360s) started
T12 << 1462258915.35273004 Multipole moments (2.09436s) stopped
T12 >> 1462258915.35275507 Normalize (1.48708s) started
T12 << 1462258915.35956311 Normalize (1.49389s) stopped
T12 >> 1462258915.35960293 Mix (92.38040s) started
T12 << 1462258915.77646804 Mix (92.79727s) stopped
T12 << 1462258915.77651095 Density (3538.56521s) stopped
T12 >> 1462258915.77653289 Hamiltonian (9841.81406s) started
T12 >> 1462258915.77654696 vbar (5.96465s) started
T12 << 1462258915.80211711 vbar (5.99022s) stopped
T12 >> 1462258915.80225492 XC 3D grid (6123.03160s) started
T12 >> 1462258916.29798388 van der Waals (5916.81057s) started
T12 >> 1462258916.41320705 semilocal (1245.71200s) started
T12 << 1462258922.24239111 semilocal (1251.54119s) stopped
T12 >> 1462258922.31651211 redistribute (632.66884s) started
T12 << 1462258923.31230807 redistribute (633.66463s) stopped
T12 >> 1462258923.31235099 libvdwxc nonlocal (3997.12796s) started
T12 << 1462258942.06297803 libvdwxc nonlocal (4015.87858s) stopped
T12 >> 1462258942.06303811 redistribute (633.66467s) started
T12 << 1462258943.75334811 redistribute (635.35498s) stopped
T12 << 1462258943.75435901 van der Waals (5944.26695s) stopped
T12 << 1462258944.21044588 XC 3D grid (6151.43979s) stopped
T12 >> 1462258944.21050310 Poisson (1462.49082s) started
T12 << 1462258949.96223307 Poisson (1468.24255s) stopped
T12 >> 1462258949.96233392 Hartree integrate/restrict (79.42770s) started
T12 << 1462258950.01142192 Hartree integrate/restrict (79.47679s) stopped
T12 >> 1462258950.01146793 Hartree integrate/restrict (79.47681s) started
T12 << 1462258950.31748295 Hartree integrate/restrict (79.78283s) stopped
T12 >> 1462258950.31764293 Atomic (513.05214s) started
T12 >> 1462258950.31927204 XC Correction (0.00719s) started
T12 << 1462258950.31928706 XC Correction (0.00720s) stopped
T12 << 1462258952.68171096 Atomic (515.41620s) stopped
T12 >> 1462258952.68185997 Communicate (1657.74340s) started
T12 << 1462258962.92715502 Communicate (1667.98870s) stopped
T12 << 1462258962.92719102 Hamiltonian (9888.96472s) stopped
T12 >> 1462258962.92721605 LCAO eigensolver (14546.65065s) started
T12 >> 1462258962.92722893 Potential matrix (221.56173s) started
T12 << 1462258963.88180590 Potential matrix (222.51631s) stopped
T12 >> 1462258963.88188910 DistributedAtomicCorrection (86.47449s) started
T12 << 1462258964.26395392 DistributedAtomicCorrection (86.85656s) stopped
T12 >> 1462258964.26399803 Distribute overlap matrix (1574.74517s) started
T12 >> 1462258964.26402593 blocked summation (891.73600s) started
T12 << 1462258968.16523695 blocked summation (895.63721s) stopped
T12 >> 1462258968.17572498 Scalapack redistribute (680.74797s) started
T12 << 1462258971.29233193 Scalapack redistribute (683.86457s) stopped
T12 << 1462258971.29244709 Distribute overlap matrix (1581.77362s) stopped
T12 >> 1462258971.29752111 Blacs Orbital Layouts (12267.19204s) started
T12 >> 1462258971.30565190 General diagonalize (12217.48768s) started
T12 << 1462259026.20517206 General diagonalize (12272.38720s) stopped
T12 >> 1462259026.20521593 Redistribute coefs (1.83340s) started
T12 << 1462259026.21262503 Redistribute coefs (1.84081s) stopped
T12 >> 1462259026.21270704 Send coefs to domains (45.82822s) started
T12 << 1462259026.38547206 Send coefs to domains (46.00098s) stopped
T12 << 1462259026.38565993 Blacs Orbital Layouts (12322.28017s) stopped
T12 >> 1462259026.38568711 Calculate projections (395.54794s) started
T12 << 1462259028.09335804 Calculate projections (397.25561s) stopped
T12 << 1462259028.09371996 LCAO eigensolver (14611.81716s) stopped
T12 >> 1462259031.28325391 Density (3538.56522s) started
T12 >> 1462259031.28326797 Pseudo density (2751.89053s) started
T12 >> 1462259031.28565311 Calculate density matrix (2586.30396s) started
T12 << 1462259043.15318203 Calculate density matrix (2598.17148s) stopped
T12 >> 1462259043.15322900 Construct density (161.21731s) started
T12 << 1462259043.89554596 Construct density (161.95963s) stopped
T12 >> 1462259043.91367197 Symmetrize density (0.01839s) started
T12 << 1462259043.91373801 Symmetrize density (0.01845s) stopped
T12 << 1462259043.91617298 Pseudo density (2764.52344s) stopped
T12 >> 1462259043.91623092 Atomic density matrices (690.27290s) started
T12 << 1462259047.17667103 Atomic density matrices (693.53334s) stopped
T12 >> 1462259047.17670393 Multipole moments (2.09437s) started
T12 << 1462259047.18795395 Multipole moments (2.10562s) stopped
T12 >> 1462259047.18797803 Normalize (1.49392s) started
T12 << 1462259047.19472599 Normalize (1.50067s) stopped
T12 >> 1462259047.19476295 Mix (92.79731s) started
T12 << 1462259047.59256291 Mix (93.19511s) stopped
T12 << 1462259047.59262705 Density (3554.87459s) stopped
T12 >> 1462259047.59265804 Hamiltonian (9888.96473s) started
T12 >> 1462259047.59267306 vbar (5.99030s) started
T12 << 1462259047.62000108 vbar (6.01763s) stopped
T12 >> 1462259047.62009907 XC 3D grid (6151.43984s) started
T12 >> 1462259048.10814190 van der Waals (5944.26697s) started
T12 >> 1462259048.22036910 semilocal (1251.54123s) started
T12 << 1462259053.98730993 semilocal (1257.30817s) stopped
T12 >> 1462259054.06047702 redistribute (635.35502s) started
T12 << 1462259055.08786392 redistribute (636.38241s) stopped
T12 >> 1462259055.08791399 libvdwxc nonlocal (4015.87863s) started
T12 << 1462259073.39225793 libvdwxc nonlocal (4034.18297s) stopped
T12 >> 1462259073.39234304 redistribute (636.38245s) started
T12 << 1462259075.36695790 redistribute (638.35706s) stopped
T12 << 1462259075.36801100 van der Waals (5971.52684s) stopped
T12 << 1462259075.82745004 XC 3D grid (6179.64719s) stopped
T12 >> 1462259075.82749891 Poisson (1468.24263s) started
T12 << 1462259084.45138097 Poisson (1476.86651s) stopped
T12 >> 1462259084.45148206 Hartree integrate/restrict (79.78287s) started
T12 << 1462259084.48940396 Hartree integrate/restrict (79.82080s) stopped
T12 >> 1462259084.48948097 Hartree integrate/restrict (79.82084s) started
T12 << 1462259084.81432700 Hartree integrate/restrict (80.14569s) stopped
T12 >> 1462259084.81451607 Atomic (515.41623s) started
T12 >> 1462259084.81628895 XC Correction (0.00722s) started
T12 << 1462259084.81631303 XC Correction (0.00724s) stopped
T12 << 1462259087.16581893 Atomic (517.76753s) stopped
T12 >> 1462259087.16597104 Communicate (1667.98872s) started
T12 << 1462259096.88380194 Communicate (1677.70655s) stopped
T12 << 1462259096.88383698 Hamiltonian (9938.25591s) stopped
T12 >> 1462259096.88386011 LCAO eigensolver (14611.81717s) started
T12 >> 1462259096.88387299 Potential matrix (222.51636s) started
T12 << 1462259097.83021212 Potential matrix (223.46270s) stopped
T12 >> 1462259097.83029199 DistributedAtomicCorrection (86.85660s) started
T12 << 1462259098.21090889 DistributedAtomicCorrection (87.23721s) stopped
T12 >> 1462259098.21095705 Distribute overlap matrix (1581.77364s) started
T12 >> 1462259098.21098495 blocked summation (895.63726s) started
T12 << 1462259102.15294600 blocked summation (899.57922s) stopped
T12 >> 1462259102.16291404 Scalapack redistribute (683.86464s) started
T12 << 1462259105.21067595 Scalapack redistribute (686.91240s) stopped
T12 << 1462259105.21080089 Distribute overlap matrix (1588.77348s) stopped
T12 >> 1462259105.21547890 Blacs Orbital Layouts (12322.28019s) started
T12 >> 1462259105.22393107 General diagonalize (12272.38724s) started
T12 << 1462259159.14027309 General diagonalize (12326.30358s) stopped
T12 >> 1462259159.14032698 Redistribute coefs (1.84087s) started
T12 << 1462259159.14842510 Redistribute coefs (1.84897s) stopped
T12 >> 1462259159.14847302 Send coefs to domains (46.00101s) started
T12 << 1462259159.24293208 Send coefs to domains (46.09547s) stopped
T12 << 1462259159.24312997 Blacs Orbital Layouts (12376.30784s) stopped
T12 >> 1462259159.24316096 Calculate projections (397.25567s) started
T12 << 1462259160.95909500 Calculate projections (398.97160s) stopped
T12 << 1462259160.95948100 LCAO eigensolver (14675.89279s) stopped
T12 >> 1462259164.14306498 Density (3554.87461s) started
T12 >> 1462259164.14308095 Pseudo density (2764.52348s) started
T12 >> 1462259164.14541793 Calculate density matrix (2598.17152s) started
T12 << 1462259177.08082891 Calculate density matrix (2611.10693s) stopped
T12 >> 1462259177.08088589 Construct density (161.95968s) started
T12 << 1462259177.82366610 Construct density (162.70246s) stopped
T12 >> 1462259177.83872509 Symmetrize density (0.01847s) started
T12 << 1462259177.83880305 Symmetrize density (0.01855s) stopped
T12 << 1462259177.84090805 Pseudo density (2778.22131s) stopped
T12 >> 1462259177.84097505 Atomic density matrices (693.53337s) started
T12 << 1462259181.16442490 Atomic density matrices (696.85682s) stopped
T12 >> 1462259181.16446209 Multipole moments (2.10564s) started
T12 << 1462259181.17565608 Multipole moments (2.11683s) stopped
T12 >> 1462259181.17568898 Normalize (1.50070s) started
T12 << 1462259181.18193412 Normalize (1.50694s) stopped
T12 >> 1462259181.18204403 Mix (93.19518s) started
T12 << 1462259181.62586904 Mix (93.63900s) stopped
T12 << 1462259181.62592602 Density (3572.35747s) stopped
T12 >> 1462259181.62595201 Hamiltonian (9938.25592s) started
T12 >> 1462259181.62596703 vbar (6.01769s) started
T12 << 1462259181.64781189 vbar (6.03953s) stopped
T12 >> 1462259181.64792490 XC 3D grid (6179.64723s) started
T12 >> 1462259182.15185499 van der Waals (5971.52687s) started
T12 >> 1462259182.26240110 semilocal (1257.30829s) started
T12 << 1462259188.04806495 semilocal (1263.09395s) stopped
T12 >> 1462259188.12137008 redistribute (638.35713s) started
T12 << 1462259189.13512111 redistribute (639.37088s) stopped
T12 >> 1462259189.13517308 libvdwxc nonlocal (4034.18304s) started
T12 << 1462259207.18701005 libvdwxc nonlocal (4052.23488s) stopped
T12 >> 1462259207.18708611 redistribute (639.37092s) started
T12 << 1462259209.08984590 redistribute (641.27368s) stopped
T12 << 1462259209.09100699 van der Waals (5998.46602s) stopped
T12 << 1462259209.55022407 XC 3D grid (6207.54952s) stopped
T12 >> 1462259209.55026889 Poisson (1476.86659s) started
T12 << 1462259218.18444896 Poisson (1485.50077s) stopped
T12 >> 1462259218.18454504 Hartree integrate/restrict (80.14574s) started
T12 << 1462259218.22478294 Hartree integrate/restrict (80.18598s) stopped
T12 >> 1462259218.22492790 Hartree integrate/restrict (80.18608s) started
T12 << 1462259218.56575990 Hartree integrate/restrict (80.52691s) stopped
T12 >> 1462259218.56596303 Atomic (517.76755s) started
T12 >> 1462259218.56773496 XC Correction (0.00725s) started
T12 << 1462259218.56776190 XC Correction (0.00728s) stopped
T12 << 1462259220.93238711 Atomic (520.13398s) stopped
T12 >> 1462259220.93252897 Communicate (1677.70658s) started
T12 << 1462259230.63701510 Communicate (1687.41106s) stopped
T12 << 1462259230.63704991 Hamiltonian (9987.26702s) stopped
T12 >> 1462259230.63707399 LCAO eigensolver (14675.89281s) started
T12 >> 1462259230.63711095 Potential matrix (223.46274s) started
T12 << 1462259231.58492708 Potential matrix (224.41056s) stopped
T12 >> 1462259231.58502412 DistributedAtomicCorrection (87.23725s) started
T12 << 1462259231.96503997 DistributedAtomicCorrection (87.61727s) stopped
T12 >> 1462259231.96508694 Distribute overlap matrix (1588.77350s) started
T12 >> 1462259231.96511602 blocked summation (899.57926s) started
T12 << 1462259235.88345003 blocked summation (903.49759s) stopped
T12 >> 1462259235.89289808 Scalapack redistribute (686.91247s) started
T12 << 1462259238.96358991 Scalapack redistribute (689.98316s) stopped
T12 << 1462259238.96369505 Distribute overlap matrix (1595.77211s) stopped
T12 >> 1462259238.96819091 Blacs Orbital Layouts (12376.30786s) started
T12 >> 1462259238.97620606 General diagonalize (12326.30362s) started
T12 << 1462259291.37745309 General diagonalize (12378.70487s) stopped
T12 >> 1462259291.37752604 Redistribute coefs (1.84901s) started
T12 << 1462259291.38578701 Redistribute coefs (1.85727s) stopped
T12 >> 1462259291.38584900 Send coefs to domains (46.09551s) started
T12 << 1462259291.75930810 Send coefs to domains (46.46897s) stopped
T12 << 1462259291.75949311 Blacs Orbital Layouts (12429.09917s) stopped
T12 >> 1462259291.75952291 Calculate projections (398.97166s) started
T12 << 1462259293.47378612 Calculate projections (400.68592s) stopped
T12 << 1462259293.47399998 LCAO eigensolver (14738.72974s) stopped
T12 >> 1462259296.63615704 Density (3572.35748s) started
T12 >> 1462259296.63617301 Pseudo density (2778.22136s) started
T12 >> 1462259296.63821411 Calculate density matrix (2611.10698s) started
T12 << 1462259308.51174808 Calculate density matrix (2622.98051s) stopped
T12 >> 1462259308.51180410 Construct density (162.70251s) started
T12 << 1462259309.25475097 Construct density (163.44546s) stopped
T12 >> 1462259309.26984406 Symmetrize density (0.01857s) started
T12 << 1462259309.26992393 Symmetrize density (0.01865s) stopped
T12 << 1462259309.27202201 Pseudo density (2790.85721s) stopped
T12 >> 1462259309.27208996 Atomic density matrices (696.85685s) started
T12 << 1462259312.52362299 Atomic density matrices (700.10838s) stopped
T12 >> 1462259312.52365899 Multipole moments (2.11685s) started
T12 << 1462259312.53512692 Multipole moments (2.12832s) stopped
T12 >> 1462259312.53516102 Normalize (1.50703s) started
T12 << 1462259312.54143310 Normalize (1.51330s) stopped
T12 >> 1462259312.54150391 Mix (93.63906s) started
T12 << 1462259312.96349001 Mix (94.06104s) stopped
T12 << 1462259312.96357608 Density (3588.68490s) stopped
T12 >> 1462259312.96361995 Hamiltonian (9987.26703s) started
T12 >> 1462259312.96363997 vbar (6.03960s) started
T12 << 1462259312.98962212 vbar (6.06558s) stopped
T12 >> 1462259312.98968697 XC 3D grid (6207.54956s) started
T12 >> 1462259313.52677488 van der Waals (5998.46604s) started
T12 >> 1462259313.63833404 semilocal (1263.09410s) started
T12 << 1462259319.41380405 semilocal (1268.86957s) stopped
T12 >> 1462259319.49859405 redistribute (641.27374s) started
T12 << 1462259320.51771688 redistribute (642.29286s) stopped
T12 >> 1462259320.51776791 libvdwxc nonlocal (4052.23493s) started
T12 << 1462259339.18771291 libvdwxc nonlocal (4070.90488s) stopped
T12 >> 1462259339.18779707 redistribute (642.29290s) started
T12 << 1462259341.23714495 redistribute (644.34225s) stopped
T12 << 1462259341.23844290 van der Waals (6026.17771s) stopped
T12 << 1462259341.69363689 XC 3D grid (6236.25351s) stopped
T12 >> 1462259341.69368601 Poisson (1485.50084s) started
T12 << 1462259347.52311802 Poisson (1491.33027s) stopped
T12 >> 1462259347.52329493 Hartree integrate/restrict (80.52697s) started
T12 << 1462259347.56105709 Hartree integrate/restrict (80.56474s) stopped
T12 >> 1462259347.56121802 Hartree integrate/restrict (80.56485s) started
T12 << 1462259347.89765406 Hartree integrate/restrict (80.90128s) stopped
T12 >> 1462259347.89785504 Atomic (520.13400s) started
T12 >> 1462259347.89956188 XC Correction (0.00729s) started
T12 << 1462259347.89957690 XC Correction (0.00731s) stopped
T12 << 1462259350.26508689 Atomic (522.50123s) stopped
T12 >> 1462259350.26520300 Communicate (1687.41109s) started
T12 << 1462259359.95808601 Communicate (1697.10397s) stopped
T12 << 1462259359.95811105 Hamiltonian (10034.26152s) stopped
T12 >> 1462259359.95813298 LCAO eigensolver (14738.72976s) started
T12 >> 1462259359.95814610 Potential matrix (224.41061s) started
T12 << 1462259360.90570307 Potential matrix (225.35817s) stopped
T12 >> 1462259360.90579891 DistributedAtomicCorrection (87.61731s) started
T12 << 1462259361.27856493 DistributedAtomicCorrection (87.99007s) stopped
T12 >> 1462259361.27861094 Distribute overlap matrix (1595.77212s) started
T12 >> 1462259361.27864003 blocked summation (903.49763s) started
T12 << 1462259365.19380808 blocked summation (907.41280s) stopped
T12 >> 1462259365.20277190 Scalapack redistribute (689.98320s) started
T12 << 1462259368.31228805 Scalapack redistribute (693.09272s) stopped
T12 << 1462259368.31238008 Distribute overlap matrix (1602.80589s) stopped
T12 >> 1462259368.31648207 Blacs Orbital Layouts (12429.09919s) started
T12 >> 1462259368.32464194 General diagonalize (12378.70493s) started
T12 << 1462259419.09428501 General diagonalize (12429.47458s) stopped
T12 >> 1462259419.09433198 Redistribute coefs (1.85732s) started
T12 << 1462259419.10184097 Redistribute coefs (1.86482s) stopped
T12 >> 1462259419.10188198 Send coefs to domains (46.46900s) started
T12 << 1462259419.40164995 Send coefs to domains (46.76877s) stopped
T12 << 1462259419.40196204 Blacs Orbital Layouts (12480.18467s) stopped
T12 >> 1462259419.40199208 Calculate projections (400.68599s) started
T12 << 1462259421.11330700 Calculate projections (402.39730s) stopped
T12 << 1462259421.11354899 LCAO eigensolver (14799.88517s) stopped
T12 >> 1462259424.26798105 Density (3588.68492s) started
T12 >> 1462259424.26799703 Pseudo density (2790.85727s) started
T12 >> 1462259424.27035999 Calculate density matrix (2622.98055s) started
T12 << 1462259436.13127494 Calculate density matrix (2634.84146s) stopped
T12 >> 1462259436.13132405 Construct density (163.44552s) started
T12 << 1462259436.87410498 Construct density (164.18830s) stopped
T12 >> 1462259436.89162397 Symmetrize density (0.01867s) started
T12 << 1462259436.89168096 Symmetrize density (0.01872s) stopped
T12 << 1462259436.89414096 Pseudo density (2803.48341s) stopped
T12 >> 1462259436.89420009 Atomic density matrices (700.10841s) started
T12 << 1462259440.13202500 Atomic density matrices (703.34624s) stopped
T12 >> 1462259440.13206005 Multipole moments (2.12833s) started
T12 << 1462259440.14338899 Multipole moments (2.13966s) stopped
T12 >> 1462259440.14342308 Normalize (1.51335s) started
T12 << 1462259440.15113306 Normalize (1.52106s) stopped
T12 >> 1462259440.15117693 Mix (94.06113s) started
T12 << 1462259440.57735801 Mix (94.48731s) stopped
T12 << 1462259440.57739806 Density (3604.99433s) stopped
T12 >> 1462259440.57742190 Hamiltonian (10034.26153s) started
T12 >> 1462259440.57743692 vbar (6.06561s) started
T12 << 1462259440.61150503 vbar (6.09968s) stopped
T12 >> 1462259440.61162400 XC 3D grid (6236.25355s) started
T12 >> 1462259441.09064603 van der Waals (6026.17774s) started
T12 >> 1462259441.20449996 semilocal (1268.86966s) started
T12 << 1462259447.02446890 semilocal (1274.68963s) stopped
T12 >> 1462259447.09676695 redistribute (644.34229s) started
T12 << 1462259448.10879207 redistribute (645.35431s) stopped
T12 >> 1462259448.10883594 libvdwxc nonlocal (4070.90494s) started
T12 << 1462259467.14533901 libvdwxc nonlocal (4089.94144s) stopped
T12 >> 1462259467.14538002 redistribute (645.35435s) started
T12 << 1462259468.84390497 redistribute (647.05287s) stopped
T12 << 1462259468.84501910 van der Waals (6053.93211s) stopped
T12 << 1462259469.30316091 XC 3D grid (6264.94508s) stopped
T12 >> 1462259469.30320001 Poisson (1491.33041s) started
T12 << 1462259475.18839502 Poisson (1497.21560s) stopped
T12 >> 1462259475.18845701 Hartree integrate/restrict (80.90134s) started
T12 << 1462259475.24449897 Hartree integrate/restrict (80.95738s) stopped
T12 >> 1462259475.24453902 Hartree integrate/restrict (80.95740s) started
T12 << 1462259475.56360102 Hartree integrate/restrict (81.27647s) stopped
T12 >> 1462259475.56377506 Atomic (522.50126s) started
T12 >> 1462259475.56536102 XC Correction (0.00732s) started
T12 << 1462259475.56537795 XC Correction (0.00733s) stopped
T12 << 1462259477.92447591 Atomic (524.86196s) stopped
T12 >> 1462259477.92456508 Communicate (1697.10399s) started
T12 << 1462259487.61197495 Communicate (1706.79140s) stopped
T12 << 1462259487.61201310 Hamiltonian (10081.29613s) stopped
T12 >> 1462259487.61203790 LCAO eigensolver (14799.88519s) started
T12 >> 1462259487.61205101 Potential matrix (225.35822s) started
T12 << 1462259488.57110596 Potential matrix (226.31728s) stopped
T12 >> 1462259488.57119107 DistributedAtomicCorrection (87.99011s) started
T12 << 1462259488.95576096 DistributedAtomicCorrection (88.37468s) stopped
T12 >> 1462259488.95581007 Distribute overlap matrix (1602.80591s) started
T12 >> 1462259488.95583701 blocked summation (907.41283s) started
T12 << 1462259492.88222098 blocked summation (911.33922s) stopped
T12 >> 1462259492.89179492 Scalapack redistribute (693.09279s) started
T12 << 1462259495.98343706 Scalapack redistribute (696.18443s) stopped
T12 << 1462259495.98355198 Distribute overlap matrix (1609.83365s) stopped
T12 >> 1462259495.98822808 Blacs Orbital Layouts (12480.18469s) started
T12 >> 1462259495.99655294 General diagonalize (12429.47462s) started
T12 << 1462259546.93743801 General diagonalize (12480.41550s) stopped
T12 >> 1462259546.93751097 Redistribute coefs (1.86486s) started
T12 << 1462259546.94456291 Redistribute coefs (1.87191s) stopped
T12 >> 1462259546.94464302 Send coefs to domains (46.76880s) started
T12 << 1462259547.13343191 Send coefs to domains (46.95759s) stopped
T12 << 1462259547.13363290 Blacs Orbital Layouts (12531.33009s) stopped
T12 >> 1462259547.13366008 Calculate projections (402.39735s) started
T12 << 1462259548.83837008 Calculate projections (404.10206s) stopped
T12 << 1462259548.83856010 LCAO eigensolver (14861.11172s) stopped
T12 >> 1462259552.01044011 Density (3604.99435s) started
T12 >> 1462259552.01045609 Pseudo density (2803.48346s) started
T12 >> 1462259552.01306510 Calculate density matrix (2634.84149s) started
T12 << 1462259563.85187602 Calculate density matrix (2646.68030s) stopped
T12 >> 1462259563.85192204 Construct density (164.18835s) started
T12 << 1462259564.59273100 Construct density (164.92916s) stopped
T12 >> 1462259564.61014104 Symmetrize density (0.01874s) started
T12 << 1462259564.61019802 Symmetrize density (0.01879s) stopped
T12 << 1462259564.61263895 Pseudo density (2816.08564s) stopped
T12 >> 1462259564.61269498 Atomic density matrices (703.34626s) started
T12 << 1462259567.89854789 Atomic density matrices (706.63212s) stopped
T12 >> 1462259567.89857888 Multipole moments (2.13968s) started
T12 << 1462259567.91004300 Multipole moments (2.15114s) stopped
T12 >> 1462259567.91007304 Normalize (1.52109s) started
T12 << 1462259567.91784096 Normalize (1.52886s) stopped
T12 >> 1462259567.91787910 Mix (94.48735s) started
T12 << 1462259568.33787489 Mix (94.90734s) stopped
T12 << 1462259568.33790898 Density (3621.32182s) stopped
T12 >> 1462259568.33793306 Hamiltonian (10081.29614s) started
T12 >> 1462259568.33794808 vbar (6.09975s) started
T12 << 1462259568.36243701 vbar (6.12424s) stopped
T12 >> 1462259568.36248899 XC 3D grid (6264.94511s) started
T12 >> 1462259568.89216709 van der Waals (6053.93214s) started
T12 >> 1462259569.00838089 semilocal (1274.68971s) started
T12 << 1462259574.73489404 semilocal (1280.41622s) stopped
T12 >> 1462259574.80760598 redistribute (647.05292s) started
T12 << 1462259575.86517000 redistribute (648.11049s) stopped
T12 >> 1462259575.86521411 libvdwxc nonlocal (4089.94147s) started
T12 << 1462259594.89375806 libvdwxc nonlocal (4108.97002s) stopped
T12 >> 1462259594.89396691 redistribute (648.11052s) started
T12 << 1462259596.56711888 redistribute (649.78368s) stopped
T12 << 1462259596.56821203 van der Waals (6081.60818s) stopped
T12 << 1462259597.02452707 XC 3D grid (6293.60715s) stopped
T12 >> 1462259597.02457404 Poisson (1497.21565s) started
T12 << 1462259601.43789291 Poisson (1501.62897s) stopped
T12 >> 1462259601.43795300 Hartree integrate/restrict (81.27652s) started
T12 << 1462259601.49252510 Hartree integrate/restrict (81.33109s) stopped
T12 >> 1462259601.49258709 Hartree integrate/restrict (81.33112s) started
T12 << 1462259601.79917002 Hartree integrate/restrict (81.63770s) stopped
T12 >> 1462259601.79934812 Atomic (524.86198s) started
T12 >> 1462259601.80092406 XC Correction (0.00735s) started
T12 << 1462259601.80094600 XC Correction (0.00737s) stopped
T12 << 1462259604.16714692 Atomic (527.22978s) stopped
T12 >> 1462259604.16722798 Communicate (1706.79142s) started
T12 << 1462259613.88356304 Communicate (1716.50776s) stopped
T12 << 1462259613.88360095 Hamiltonian (10126.84180s) stopped
T12 >> 1462259613.88362694 LCAO eigensolver (14861.11173s) started
T12 >> 1462259613.88363910 Potential matrix (226.31733s) started
T12 << 1462259614.84366202 Potential matrix (227.27735s) stopped
T12 >> 1462259614.84374905 DistributedAtomicCorrection (88.37472s) started
T12 << 1462259615.22179794 DistributedAtomicCorrection (88.75277s) stopped
T12 >> 1462259615.22184491 Distribute overlap matrix (1609.83366s) started
T12 >> 1462259615.22187209 blocked summation (911.33927s) started
T12 << 1462259619.14764404 blocked summation (915.26504s) stopped
T12 >> 1462259619.15771604 Scalapack redistribute (696.18449s) started
T12 << 1462259622.26577806 Scalapack redistribute (699.29255s) stopped
T12 << 1462259622.26588106 Distribute overlap matrix (1616.87770s) stopped
T12 >> 1462259622.27034307 Blacs Orbital Layouts (12531.33011s) started
T12 >> 1462259622.27849603 General diagonalize (12480.41556s) started
T12 << 1462259676.13554406 General diagonalize (12534.27261s) stopped
T12 >> 1462259676.13559008 Redistribute coefs (1.87197s) started
T12 << 1462259676.14265108 Redistribute coefs (1.87903s) stopped
T12 >> 1462259676.14273810 Send coefs to domains (46.95763s) started
T12 << 1462259676.33953691 Send coefs to domains (47.15442s) stopped
T12 << 1462259676.33988190 Blacs Orbital Layouts (12585.39965s) stopped
T12 >> 1462259676.33991003 Calculate projections (404.10212s) started
T12 << 1462259678.04503989 Calculate projections (405.80725s) stopped
T12 << 1462259678.04522896 LCAO eigensolver (14925.27334s) stopped
T12 >> 1462259681.24314809 Density (3621.32183s) started
T12 >> 1462259681.24316311 Pseudo density (2816.08569s) started
T12 >> 1462259681.24633193 Calculate density matrix (2646.68034s) started
T12 << 1462259693.14671707 Calculate density matrix (2658.58072s) stopped
T12 >> 1462259693.14676404 Construct density (164.92921s) started
T12 << 1462259693.88742089 Construct density (165.66987s) stopped
T12 >> 1462259693.90461898 Symmetrize density (0.01881s) started
T12 << 1462259693.90467596 Symmetrize density (0.01887s) stopped
T12 << 1462259693.90711498 Pseudo density (2828.74964s) stopped
T12 >> 1462259693.90717292 Atomic density matrices (706.63214s) started
T12 << 1462259697.14835310 Atomic density matrices (709.87332s) stopped
T12 >> 1462259697.14838409 Multipole moments (2.15116s) started
T12 << 1462259697.15947008 Multipole moments (2.16224s) stopped
T12 >> 1462259697.15950108 Normalize (1.52889s) started
T12 << 1462259697.16863394 Normalize (1.53802s) stopped
T12 >> 1462259697.16867709 Mix (94.90738s) started
T12 << 1462259697.61818004 Mix (95.35688s) stopped
T12 << 1462259697.61822510 Density (3637.69691s) stopped
T12 >> 1462259697.61824894 Hamiltonian (10126.84182s) started
T12 >> 1462259697.61826301 vbar (6.12427s) started
T12 << 1462259697.65403008 vbar (6.16003s) stopped
T12 >> 1462259697.65411997 XC 3D grid (6293.60719s) started
T12 >> 1462259698.12977409 van der Waals (6081.60821s) started
T12 >> 1462259698.24262810 semilocal (1280.41631s) started
T12 << 1462259704.04259300 semilocal (1286.21627s) stopped
T12 >> 1462259704.11992788 redistribute (649.78373s) started
T12 << 1462259705.11451697 redistribute (650.77831s) stopped
T12 >> 1462259705.11455989 libvdwxc nonlocal (4108.97021s) started
T12 << 1462259723.91447806 libvdwxc nonlocal (4127.77013s) stopped
T12 >> 1462259723.91454411 redistribute (650.77835s) started
T12 << 1462259725.73886895 redistribute (652.60267s) stopped
T12 << 1462259725.73985696 van der Waals (6109.21829s) stopped
T12 << 1462259726.19995499 XC 3D grid (6322.15302s) stopped
T12 >> 1462259726.20001292 Poisson (1501.62901s) started
T12 << 1462259730.59331012 Poisson (1506.02231s) stopped
T12 >> 1462259730.59341908 Hartree integrate/restrict (81.63776s) started
T12 << 1462259730.63756704 Hartree integrate/restrict (81.68191s) stopped
T12 >> 1462259730.63764596 Hartree integrate/restrict (81.68196s) started
T12 << 1462259730.98221493 Hartree integrate/restrict (82.02653s) stopped
T12 >> 1462259730.98239708 Atomic (527.22980s) started
T12 >> 1462259730.98394608 XC Correction (0.00738s) started
T12 << 1462259730.98396111 XC Correction (0.00740s) stopped
T12 << 1462259733.33068395 Atomic (529.57809s) stopped
T12 >> 1462259733.33076906 Communicate (1716.50778s) started
T12 << 1462259743.01976800 Communicate (1726.19678s) stopped
T12 << 1462259743.01980400 Hamiltonian (10172.24337s) stopped
T12 >> 1462259743.01982808 LCAO eigensolver (14925.27336s) started
T12 >> 1462259743.01984000 Potential matrix (227.27740s) started
T12 << 1462259743.97560310 Potential matrix (228.23317s) stopped
T12 >> 1462259743.97568893 DistributedAtomicCorrection (88.75281s) started
T12 << 1462259744.35799909 DistributedAtomicCorrection (89.13512s) stopped
T12 >> 1462259744.35804510 Distribute overlap matrix (1616.87771s) started
T12 >> 1462259744.35807204 blocked summation (915.26510s) started
T12 << 1462259748.29411292 blocked summation (919.20114s) stopped
T12 >> 1462259748.30395508 Scalapack redistribute (699.29261s) started
T12 << 1462259751.38362193 Scalapack redistribute (702.37228s) stopped
T12 << 1462259751.38374090 Distribute overlap matrix (1623.90341s) stopped
T12 >> 1462259751.38837910 Blacs Orbital Layouts (12585.39967s) started
T12 >> 1462259751.39659190 General diagonalize (12534.27265s) started
T12 << 1462259805.43902397 General diagonalize (12588.31508s) stopped
T12 >> 1462259805.43906808 Redistribute coefs (1.87910s) started
T12 << 1462259805.44583201 Redistribute coefs (1.88587s) stopped
T12 >> 1462259805.44591403 Send coefs to domains (47.15446s) started
T12 << 1462259805.62202811 Send coefs to domains (47.33057s) stopped
T12 << 1462259805.62220407 Blacs Orbital Layouts (12639.63350s) stopped
T12 >> 1462259805.62223196 Calculate projections (405.80730s) started
T12 << 1462259807.32896709 Calculate projections (407.51403s) stopped
T12 << 1462259807.32915902 LCAO eigensolver (14989.58269s) stopped
T12 >> 1462259810.51922798 Density (3637.69692s) started
T12 >> 1462259810.51924300 Pseudo density (2828.74969s) started
T12 >> 1462259810.52225208 Calculate density matrix (2658.58075s) started
T12 << 1462259822.35676599 Calculate density matrix (2670.41527s) stopped
T12 >> 1462259822.35681796 Construct density (165.66992s) started
T12 << 1462259823.09936500 Construct density (166.41246s) stopped
T12 >> 1462259823.11665511 Symmetrize density (0.01889s) started
T12 << 1462259823.11672401 Symmetrize density (0.01895s) stopped
T12 << 1462259823.11916089 Pseudo density (2841.34960s) stopped
T12 >> 1462259823.11921906 Atomic density matrices (709.87335s) started
T12 << 1462259826.42490792 Atomic density matrices (713.17903s) stopped
T12 >> 1462259826.42493892 Multipole moments (2.16226s) started
T12 << 1462259826.43637204 Multipole moments (2.17369s) stopped
T12 >> 1462259826.43640304 Normalize (1.53805s) started
T12 << 1462259826.44543910 Normalize (1.54709s) stopped
T12 >> 1462259826.44550204 Mix (95.35692s) started
T12 << 1462259826.87999701 Mix (95.79142s) stopped
T12 << 1462259826.88002706 Density (3654.05772s) stopped
T12 >> 1462259826.88004994 Hamiltonian (10172.24338s) started
T12 >> 1462259826.88006401 vbar (6.16008s) started
T12 << 1462259826.90532303 vbar (6.18534s) stopped
T12 >> 1462259826.90540504 XC 3D grid (6322.15307s) started
T12 >> 1462259827.46631908 van der Waals (6109.21832s) started
T12 >> 1462259827.57955909 semilocal (1286.21639s) started
T12 << 1462259833.36116195 semilocal (1291.99800s) stopped
T12 >> 1462259833.43617892 redistribute (652.60272s) started
T12 << 1462259834.42712212 redistribute (653.59366s) stopped
T12 >> 1462259834.42716599 libvdwxc nonlocal (4127.77018s) started
T12 << 1462259852.80911112 libvdwxc nonlocal (4146.15212s) stopped
T12 >> 1462259852.80917692 redistribute (653.59370s) started
T12 << 1462259854.49747610 redistribute (655.28200s) stopped
T12 << 1462259854.49876809 van der Waals (6136.25077s) stopped
T12 << 1462259854.95285606 XC 3D grid (6350.20052s) stopped
T12 >> 1462259854.95289707 Poisson (1506.02239s) started
T12 << 1462259859.33444691 Poisson (1510.40394s) stopped
T12 >> 1462259859.33453989 Hartree integrate/restrict (82.02658s) started
T12 << 1462259859.37966108 Hartree integrate/restrict (82.07170s) stopped
T12 >> 1462259859.37975001 Hartree integrate/restrict (82.07177s) started
T12 << 1462259859.76694489 Hartree integrate/restrict (82.45896s) stopped
T12 >> 1462259859.76711106 Atomic (529.57811s) started
T12 >> 1462259859.76866007 XC Correction (0.00741s) started
T12 << 1462259859.76867509 XC Correction (0.00742s) stopped
T12 << 1462259862.11361098 Atomic (531.92461s) stopped
T12 >> 1462259862.11370301 Communicate (1726.19681s) started
T12 << 1462259871.84391689 Communicate (1735.92702s) stopped
T12 << 1462259871.84395909 Hamiltonian (10217.20729s) stopped
T12 >> 1462259871.84398508 LCAO eigensolver (14989.58271s) started
T12 >> 1462259871.84399796 Potential matrix (228.23322s) started
T12 << 1462259872.79764795 Potential matrix (229.18687s) stopped
T12 >> 1462259872.79774308 DistributedAtomicCorrection (89.13516s) started
T12 << 1462259873.17713499 DistributedAtomicCorrection (89.51455s) stopped
T12 >> 1462259873.17718410 Distribute overlap matrix (1623.90342s) started
T12 >> 1462259873.17721891 blocked summation (919.20119s) started
T12 << 1462259877.11420798 blocked summation (923.13818s) stopped
T12 >> 1462259877.12389588 Scalapack redistribute (702.37234s) started
T12 << 1462259880.21353698 Scalapack redistribute (705.46198s) stopped
T12 << 1462259880.21365309 Distribute overlap matrix (1630.93989s) stopped
T12 >> 1462259880.21830201 Blacs Orbital Layouts (12639.63352s) started
T12 >> 1462259880.22648692 General diagonalize (12588.31512s) started
T12 << 1462259933.09910393 General diagonalize (12641.18773s) stopped
T12 >> 1462259933.09915709 Redistribute coefs (1.88594s) started
T12 << 1462259933.10727906 Redistribute coefs (1.89406s) stopped
T12 >> 1462259933.10735703 Send coefs to domains (47.33061s) started
T12 << 1462259933.25076795 Send coefs to domains (47.47402s) stopped
T12 << 1462259933.25112605 Blacs Orbital Layouts (12692.66634s) stopped
T12 >> 1462259933.25115895 Calculate projections (407.51409s) started
T12 << 1462259934.96701193 Calculate projections (409.22994s) stopped
T12 << 1462259934.96740603 LCAO eigensolver (15052.70613s) stopped
T12 >> 1462259938.15433192 Density (3654.05773s) started
T12 >> 1462259938.15434790 Pseudo density (2841.34965s) started
T12 >> 1462259938.15722609 Calculate density matrix (2670.41530s) started
T12 << 1462259950.02624798 Calculate density matrix (2682.28432s) stopped
T12 >> 1462259950.02630591 Construct density (166.41251s) started
T12 << 1462259950.76704907 Construct density (167.15326s) stopped
T12 >> 1462259950.78207111 Symmetrize density (0.01897s) started
T12 << 1462259950.78214788 Symmetrize density (0.01905s) stopped
T12 << 1462259950.78424597 Pseudo density (2853.97955s) stopped
T12 >> 1462259950.78431296 Atomic density matrices (713.17906s) started
T12 << 1462259954.07520103 Atomic density matrices (716.46995s) stopped
T12 >> 1462259954.07523704 Multipole moments (2.17371s) started
T12 << 1462259954.08655095 Multipole moments (2.18502s) stopped
T12 >> 1462259954.08658409 Normalize (1.54714s) started
T12 << 1462259954.09346604 Normalize (1.55402s) stopped
T12 >> 1462259954.09359097 Mix (95.79145s) started
T12 << 1462259954.51316810 Mix (96.21103s) stopped
T12 << 1462259954.51321793 Density (3670.41662s) stopped
T12 >> 1462259954.51326799 Hamiltonian (10217.20730s) started
T12 >> 1462259954.51328206 vbar (6.18539s) started
T12 << 1462259954.53352189 vbar (6.20563s) stopped
T12 >> 1462259954.53361392 XC 3D grid (6350.20055s) started
T12 >> 1462259955.09895802 van der Waals (6136.25080s) started
T12 >> 1462259955.21527100 semilocal (1291.99809s) started
T12 << 1462259960.97410297 semilocal (1297.75692s) stopped
T12 >> 1462259961.04841399 redistribute (655.28205s) started
T12 << 1462259962.07184291 redistribute (656.30548s) stopped
T12 >> 1462259962.07190990 libvdwxc nonlocal (4146.15217s) started
T12 << 1462259980.59919310 libvdwxc nonlocal (4164.67945s) stopped
T12 >> 1462259980.59925508 redistribute (656.30553s) started
T12 << 1462259982.27888393 redistribute (657.98516s) stopped
T12 << 1462259982.28007293 van der Waals (6163.43192s) stopped
T12 << 1462259982.73974109 XC 3D grid (6378.40668s) stopped
T12 >> 1462259982.73978305 Poisson (1510.40402s) started
T12 << 1462259987.08376908 Poisson (1514.74800s) stopped
T12 >> 1462259987.08383107 Hartree integrate/restrict (82.45901s) started
T12 << 1462259987.13274097 Hartree integrate/restrict (82.50792s) stopped
T12 >> 1462259987.13278890 Hartree integrate/restrict (82.50794s) started
T12 << 1462259987.42346811 Hartree integrate/restrict (82.79862s) stopped
T12 >> 1462259987.42364001 Atomic (531.92464s) started
T12 >> 1462259987.42517304 XC Correction (0.00743s) started
T12 << 1462259987.42518711 XC Correction (0.00745s) stopped
T12 << 1462259989.81373811 Atomic (534.31473s) stopped
T12 >> 1462259989.81382489 Communicate (1735.92705s) started
T12 << 1462259999.46114707 Communicate (1745.57437s) stopped
T12 << 1462259999.46118307 Hamiltonian (10262.15522s) stopped
T12 >> 1462259999.46120691 LCAO eigensolver (15052.70614s) started
T12 >> 1462259999.46122003 Potential matrix (229.18692s) started
T12 << 1462260000.41334796 Potential matrix (230.13905s) stopped
T12 >> 1462260000.41341901 DistributedAtomicCorrection (89.51459s) started
T12 << 1462260000.79538894 DistributedAtomicCorrection (89.89656s) stopped
T12 >> 1462260000.79543495 Distribute overlap matrix (1630.93990s) started
T12 >> 1462260000.79546094 blocked summation (923.13823s) started
T12 << 1462260004.72155094 blocked summation (927.06432s) stopped
T12 >> 1462260004.73137307 Scalapack redistribute (705.46204s) started
T12 << 1462260007.77961612 Scalapack redistribute (708.51028s) stopped
T12 << 1462260007.77972007 Distribute overlap matrix (1637.92419s) stopped
T12 >> 1462260007.78411388 Blacs Orbital Layouts (12692.66636s) started
T12 >> 1462260007.79224205 General diagonalize (12641.18778s) started
T12 << 1462260059.19707298 General diagonalize (12692.59261s) stopped
T12 >> 1462260059.19711995 Redistribute coefs (1.89412s) started
T12 << 1462260059.20410800 Redistribute coefs (1.90111s) stopped
T12 >> 1462260059.20418310 Send coefs to domains (47.47406s) started
T12 << 1462260059.39612603 Send coefs to domains (47.66601s) stopped
T12 << 1462260059.39644790 Blacs Orbital Layouts (12744.27869s) stopped
T12 >> 1462260059.39647698 Calculate projections (409.23000s) started
T12 << 1462260061.10093999 Calculate projections (410.93446s) stopped
T12 << 1462260061.10129809 LCAO eigensolver (15114.34624s) stopped
T12 >> 1462260064.29434609 Density (3670.41665s) started
T12 >> 1462260064.29436111 Pseudo density (2853.97960s) started
T12 >> 1462260064.29732704 Calculate density matrix (2682.28436s) started
T12 << 1462260076.44792509 Calculate density matrix (2694.43496s) stopped
T12 >> 1462260076.44797301 Construct density (167.15332s) started
T12 << 1462260077.18928099 Construct density (167.89462s) stopped
T12 >> 1462260077.20663905 Symmetrize density (0.01907s) started
T12 << 1462260077.20670605 Symmetrize density (0.01913s) stopped
T12 << 1462260077.20914197 Pseudo density (2866.89438s) stopped
T12 >> 1462260077.20919991 Atomic density matrices (716.46998s) started
T12 << 1462260080.46269202 Atomic density matrices (719.72347s) stopped
T12 >> 1462260080.46272492 Multipole moments (2.18504s) started
T12 << 1462260080.47421503 Multipole moments (2.19653s) stopped
T12 >> 1462260080.47424507 Normalize (1.55411s) started
T12 << 1462260080.48198199 Normalize (1.56185s) stopped
T12 >> 1462260080.48201990 Mix (96.21108s) started
T12 << 1462260080.90465808 Mix (96.63372s) stopped
T12 << 1462260080.90470099 Density (3687.02701s) stopped
T12 >> 1462260080.90472603 Hamiltonian (10262.15523s) started
T12 >> 1462260080.90474010 vbar (6.20568s) started
T12 << 1462260080.93651009 vbar (6.23745s) stopped
T12 >> 1462260080.93662000 XC 3D grid (6378.40671s) started
T12 >> 1462260081.41033602 van der Waals (6163.43195s) started
T12 >> 1462260081.52735901 semilocal (1297.75700s) started
T12 << 1462260087.29369402 semilocal (1303.52334s) stopped
T12 >> 1462260087.36891294 redistribute (657.98521s) started
T12 << 1462260088.38981605 redistribute (659.00612s) stopped
T12 >> 1462260088.38988090 libvdwxc nonlocal (4164.67950s) started
T12 << 1462260106.93987989 libvdwxc nonlocal (4183.22950s) stopped
T12 >> 1462260106.93994308 redistribute (659.00617s) started
T12 << 1462260108.63260388 redistribute (660.69883s) stopped
T12 << 1462260108.63364697 van der Waals (6190.65526s) stopped
T12 << 1462260109.09095192 XC 3D grid (6406.56104s) stopped
T12 >> 1462260109.09101009 Poisson (1514.74805s) started
T12 << 1462260112.02260804 Poisson (1517.67965s) stopped
T12 >> 1462260112.02271008 Hartree integrate/restrict (82.79867s) started
T12 << 1462260112.06675196 Hartree integrate/restrict (82.84271s) stopped
T12 >> 1462260112.06680107 Hartree integrate/restrict (82.84275s) started
T12 << 1462260112.38942194 Hartree integrate/restrict (83.16537s) stopped
T12 >> 1462260112.38956809 Atomic (534.31476s) started
T12 >> 1462260112.39127707 XC Correction (0.00746s) started
T12 << 1462260112.39132094 XC Correction (0.00750s) stopped
T12 << 1462260114.75942802 Atomic (536.68462s) stopped
T12 >> 1462260114.75950909 Communicate (1745.57439s) started
T12 << 1462260124.43683910 Communicate (1755.25172s) stopped
T12 << 1462260124.43687510 Hamiltonian (10305.68738s) stopped
T12 >> 1462260124.43689990 LCAO eigensolver (15114.34626s) started
T12 >> 1462260124.43691301 Potential matrix (230.13909s) started
T12 << 1462260125.39109612 Potential matrix (231.09327s) stopped
T12 >> 1462260125.39117002 DistributedAtomicCorrection (89.89660s) started
T12 << 1462260125.76424599 DistributedAtomicCorrection (90.26967s) stopped
T12 >> 1462260125.76429296 Distribute overlap matrix (1637.92420s) started
T12 >> 1462260125.76431799 blocked summation (927.06437s) started
T12 << 1462260129.73118210 blocked summation (931.03123s) stopped
T12 >> 1462260129.74221492 Scalapack redistribute (708.51034s) started
T12 << 1462260132.82500005 Scalapack redistribute (711.59312s) stopped
T12 << 1462260132.82511401 Distribute overlap matrix (1644.98502s) stopped
T12 >> 1462260132.82950592 Blacs Orbital Layouts (12744.27871s) started
T12 >> 1462260132.83775401 General diagonalize (12692.59265s) started
T12 << 1462260186.50742793 General diagonalize (12746.26232s) stopped
T12 >> 1462260186.50747299 Redistribute coefs (1.90117s) started
T12 << 1462260186.51467609 Redistribute coefs (1.90837s) stopped
T12 >> 1462260186.51474404 Send coefs to domains (47.66604s) started
T12 << 1462260186.63815498 Send coefs to domains (47.78945s) stopped
T12 << 1462260186.63834095 Blacs Orbital Layouts (12798.08755s) stopped
T12 >> 1462260186.63836908 Calculate projections (410.93451s) started
T12 << 1462260188.34381294 Calculate projections (412.63996s) stopped
T12 << 1462260188.34417391 LCAO eigensolver (15178.25353s) stopped
T12 >> 1462260191.53646803 Density (3687.02702s) started
T12 >> 1462260191.53648305 Pseudo density (2866.89443s) started
T12 >> 1462260191.53886890 Calculate density matrix (2694.43499s) started
T12 << 1462260203.66383600 Calculate density matrix (2706.55996s) stopped
T12 >> 1462260203.66388512 Construct density (167.89467s) started
T12 << 1462260204.40639091 Construct density (168.63718s) stopped
T12 >> 1462260204.42360091 Symmetrize density (0.01915s) started
T12 << 1462260204.42366791 Symmetrize density (0.01922s) stopped
T12 << 1462260204.42613602 Pseudo density (2879.78408s) stopped
T12 >> 1462260204.42619395 Atomic density matrices (719.72349s) started
T12 << 1462260207.79929399 Atomic density matrices (723.09659s) stopped
T12 >> 1462260207.79932499 Multipole moments (2.19655s) started
T12 << 1462260207.81071210 Multipole moments (2.20793s) stopped
T12 >> 1462260207.81074309 Normalize (1.56187s) started
T12 << 1462260207.81851101 Normalize (1.56964s) stopped
T12 >> 1462260207.81855392 Mix (96.63376s) started
T12 << 1462260208.28371501 Mix (97.09892s) stopped
T12 << 1462260208.28376293 Density (3703.77432s) stopped
T12 >> 1462260208.28379202 Hamiltonian (10305.68739s) started
T12 >> 1462260208.28380799 vbar (6.23752s) started
T12 << 1462260208.31238794 vbar (6.26610s) stopped
T12 >> 1462260208.31257892 XC 3D grid (6406.56109s) started
T12 >> 1462260208.79254293 van der Waals (6190.65529s) started
T12 >> 1462260208.90530705 semilocal (1303.52344s) started
T12 << 1462260214.70164299 semilocal (1309.31977s) stopped
T12 >> 1462260214.77708101 redistribute (660.69889s) started
T12 << 1462260215.79054904 redistribute (661.71235s) stopped
T12 >> 1462260215.79059410 libvdwxc nonlocal (4183.22955s) started
T12 << 1462260234.45452690 libvdwxc nonlocal (4201.89348s) stopped
T12 >> 1462260234.45457196 redistribute (661.71239s) started
T12 << 1462260236.08405900 redistribute (663.34187s) stopped
T12 << 1462260236.08508110 van der Waals (6217.94783s) stopped
T12 << 1462260236.54258990 XC 3D grid (6434.79110s) stopped
T12 >> 1462260236.54262996 Poisson (1517.67973s) started
T12 << 1462260239.46702909 Poisson (1520.60412s) stopped
T12 >> 1462260239.46709800 Hartree integrate/restrict (83.16540s) started
T12 << 1462260239.51663303 Hartree integrate/restrict (83.21494s) stopped
T12 >> 1462260239.51668000 Hartree integrate/restrict (83.21497s) started
T12 << 1462260239.82029390 Hartree integrate/restrict (83.51858s) stopped
T12 >> 1462260239.82046008 Atomic (536.68464s) started
T12 >> 1462260239.82200909 XC Correction (0.00752s) started
T12 << 1462260239.82203102 XC Correction (0.00754s) stopped
T12 << 1462260242.18599200 Atomic (539.05017s) stopped
T12 >> 1462260242.18607497 Communicate (1755.25175s) started
T12 << 1462260251.87458801 Communicate (1764.94026s) stopped
T12 << 1462260251.87462401 Hamiltonian (10349.27822s) stopped
T12 >> 1462260251.87465000 LCAO eigensolver (15178.25355s) started
T12 >> 1462260251.87466192 Potential matrix (231.09332s) started
T12 << 1462260252.82652307 Potential matrix (232.04518s) stopped
T12 >> 1462260252.82659507 DistributedAtomicCorrection (90.26971s) started
T12 << 1462260253.20474792 DistributedAtomicCorrection (90.64787s) stopped
T12 >> 1462260253.20479798 Distribute overlap matrix (1644.98503s) started
T12 >> 1462260253.20482397 blocked summation (931.03128s) started
T12 << 1462260257.12059999 blocked summation (934.94706s) stopped
T12 >> 1462260257.13041210 Scalapack redistribute (711.59318s) started
T12 << 1462260260.24753308 Scalapack redistribute (714.71030s) stopped
T12 << 1462260260.24763393 Distribute overlap matrix (1652.02787s) stopped
T12 >> 1462260260.25221205 Blacs Orbital Layouts (12798.08757s) started
T12 >> 1462260260.26083493 General diagonalize (12746.26236s) started
T12 << 1462260314.27987194 General diagonalize (12800.28139s) stopped
T12 >> 1462260314.27991796 Redistribute coefs (1.90843s) started
T12 << 1462260314.28657603 Redistribute coefs (1.91509s) stopped
T12 >> 1462260314.28664207 Send coefs to domains (47.78949s) started
T12 << 1462260314.60848403 Send coefs to domains (48.11133s) stopped
T12 << 1462260314.60883689 Blacs Orbital Layouts (12852.44419s) stopped
T12 >> 1462260314.60886598 Calculate projections (412.64001s) started
T12 << 1462260316.31451607 Calculate projections (414.34566s) stopped
T12 << 1462260316.31487799 LCAO eigensolver (15242.69378s) stopped
T12 << 1462260319.50677705 SCF-cycle (30065.37541s) stopped
T12 >> 1462260321.63894892 Force calculation (1037.28141s) started
T12 >> 1462260321.63901401 LCAO forces (1025.63945s) started
T12 >> 1462260321.63936806 Initial (0.00032s) started
T12 << 1462260321.63937902 Initial (0.00033s) stopped
T12 >> 1462260321.64564705 Get density matrix (542.21596s) started
T12 << 1462260331.79435897 Get density matrix (552.36467s) stopped
T12 >> 1462260331.79439902 Potential (82.84995s) started
T12 << 1462260337.70839000 Potential (88.76394s) stopped
T12 >> 1462260337.70844603 Get density matrix (552.36470s) started
T12 << 1462260368.84481812 Get density matrix (583.50107s) stopped
T12 >> 1462260368.84487391 Prepare TCI loop (28.94803s) started
T12 >> 1462260368.84538198 Get neighbors (26.44627s) started
T12 << 1462260370.71930504 Get neighbors (28.32019s) stopped
T12 >> 1462260370.72007108 broadcast dH (2.48671s) started
T12 << 1462260370.85704803 broadcast dH (2.62369s) stopped
T12 << 1462260370.85708904 Prepare TCI loop (30.96025s) stopped
T12 >> 1462260370.85710812 Not so complicated loop (1.62325s) started
T12 << 1462260370.97023892 Not so complicated loop (1.73638s) stopped
T12 >> 1462260371.08165908 Complicated loop (241.12897s) started
T12 << 1462260388.86454701 Complicated loop (258.91186s) stopped
T12 >> 1462260388.86622596 Wait for sum (127.18877s) started
T12 << 1462260398.21991110 Wait for sum (136.54245s) stopped
T12 << 1462260398.21994591 LCAO forces (1102.22038s) stopped
T12 << 1462260399.01589489 Force calculation (1114.65836s) stopped
T12 >> 1462260399.03365111 Initialization (1723.02925s) started
T12 << 1462260399.03381991 Initialization (1723.02942s) stopped
T12 >> 1462260399.03403211 Initialization (1723.02944s) started
T12 << 1462260399.03415895 Initialization (1723.02957s) stopped
T12 >> 1462260399.03429008 Initialization (1723.02958s) started
T12 << 1462260399.03441405 Initialization (1723.02971s) stopped
T12 >> 1462260419.34206200 Initialization (1723.02972s) started
T12 >> 1462260419.46945500 Basic WFS set positions (1.22586s) started
T12 >> 1462260419.46948004 Redistribute (0.00498s) started
T12 << 1462260419.47347498 Redistribute (0.00897s) stopped
T12 << 1462260419.55868506 Basic WFS set positions (1.31509s) stopped
T12 >> 1462260419.55871010 Basis functions set positions (24.81405s) started
T12 << 1462260421.32793307 Basis functions set positions (26.58327s) stopped
T12 >> 1462260421.32866001 TCI: Calculate S, T, P (212.78034s) started
T12 << 1462260435.91896510 TCI: Calculate S, T, P (227.37065s) stopped
T12 >> 1462260435.91901898 blocked summation (266.27256s) started
T12 << 1462260456.59007597 blocked summation (286.94361s) stopped
T12 >> 1462260456.59920597 Scalapack redistribute (102.04419s) started
T12 << 1462260463.37163496 Scalapack redistribute (108.81662s) stopped
T12 >> 1462260463.37265801 blocked summation (286.94367s) started
T12 << 1462260464.43684411 blocked summation (288.00785s) stopped
T12 >> 1462260464.44611001 Scalapack redistribute (108.81668s) started
T12 << 1462260464.65146899 Scalapack redistribute (109.02204s) stopped
T12 >> 1462260464.65348005 Redistribute (0.01366s) started
T12 << 1462260464.71073103 Redistribute (0.07092s) stopped
T12 >> 1462260466.35649896 Redistribute (0.07094s) started
T12 << 1462260466.35739493 Redistribute (0.07184s) stopped
T12 >> 1462260466.37265897 LCAO WFS Initialize (1084.22332s) started
T12 >> 1462260466.37269807 Density initialize from wavefunctions (198.06016s) started
T12 >> 1462260466.37764192 Calculate density matrix (138.28895s) started
T12 << 1462260476.18667102 Calculate density matrix (148.09798s) stopped
T12 >> 1462260476.18671894 Construct density (10.37431s) started
T12 << 1462260476.92569900 Construct density (11.11329s) stopped
T12 >> 1462260476.94009089 Symmetrize density (0.00114s) started
T12 << 1462260476.94014812 Symmetrize density (0.00120s) stopped
T12 << 1462260480.50929308 Density initialize from wavefunctions (212.19675s) stopped
T12 >> 1462260480.50954294 Hamiltonian (885.24575s) started
T12 >> 1462260480.50956011 vbar (0.45246s) started
T12 << 1462260480.53052807 vbar (0.47343s) stopped
T12 >> 1462260480.53063107 XC 3D grid (432.48118s) started
T12 >> 1462260481.07760906 van der Waals (418.20842s) started
T12 >> 1462260481.18751192 semilocal (86.96803s) started
T12 << 1462260487.04206991 semilocal (92.82259s) stopped
T12 >> 1462260487.11729598 redistribute (50.82199s) started
T12 << 1462260488.06392694 redistribute (51.76862s) stopped
T12 >> 1462260488.06397605 libvdwxc nonlocal (277.52396s) started
T12 << 1462260506.29071593 libvdwxc nonlocal (295.75070s) stopped
T12 >> 1462260506.29079604 redistribute (51.76867s) started
T12 << 1462260509.06688190 redistribute (54.54475s) stopped
T12 << 1462260509.06818509 van der Waals (446.19900s) stopped
T12 << 1462260509.51854801 XC 3D grid (461.46910s) stopped
T12 >> 1462260509.51858807 Poisson (259.07272s) started
T12 << 1462260529.25965500 Poisson (278.81379s) stopped
T12 >> 1462260529.25972390 Hartree integrate/restrict (5.52870s) started
T12 << 1462260529.30367708 Hartree integrate/restrict (5.57265s) stopped
T12 >> 1462260529.30371904 Hartree integrate/restrict (5.57268s) started
T12 << 1462260529.61221910 Hartree integrate/restrict (5.88118s) stopped
T12 >> 1462260529.61238909 Atomic (35.08338s) started
T12 >> 1462260529.61426711 XC Correction (0.00063s) started
T12 << 1462260529.61428595 XC Correction (0.00064s) stopped
T12 << 1462260532.00413299 Atomic (37.47512s) stopped
T12 >> 1462260532.00430298 Communicate (152.59469s) started
T12 << 1462260544.72782707 Communicate (165.31822s) stopped
T12 << 1462260544.72786307 Hamiltonian (949.46407s) stopped
T12 << 1462260544.72787690 LCAO WFS Initialize (1162.57854s) stopped
T12 << 1462260544.73997808 Initialization (1848.42764s) stopped
T12 >> 1462260544.76552606 SCF-cycle (30065.37543s) started
T12 >> 1462260544.76555896 LCAO eigensolver (15242.69379s) started
T12 >> 1462260544.76557207 Potential matrix (232.04522s) started
T12 << 1462260545.71325207 Potential matrix (232.99290s) stopped
T12 >> 1462260545.71334291 DistributedAtomicCorrection (90.64791s) started
T12 << 1462260546.09655309 DistributedAtomicCorrection (91.03112s) stopped
T12 >> 1462260546.09660006 Distribute overlap matrix (1652.02788s) started
T12 >> 1462260546.09662390 blocked summation (934.94711s) started
T12 << 1462260550.26234889 blocked summation (939.11283s) stopped
T12 >> 1462260550.27150893 Scalapack redistribute (714.71036s) started
T12 << 1462260553.53151488 Scalapack redistribute (717.97036s) stopped
T12 << 1462260553.53159499 Distribute overlap matrix (1659.46288s) stopped
T12 >> 1462260553.53647804 Blacs Orbital Layouts (12852.44421s) started
T12 >> 1462260553.54520106 General diagonalize (12800.28143s) started
T12 << 1462260608.20587206 General diagonalize (12854.94210s) stopped
T12 >> 1462260608.20591807 Redistribute coefs (1.91514s) started
T12 << 1462260608.21350002 Redistribute coefs (1.92272s) stopped
T12 >> 1462260608.21354198 Send coefs to domains (48.11136s) started
T12 << 1462260608.41466093 Send coefs to domains (48.31248s) stopped
T12 << 1462260608.41489100 Blacs Orbital Layouts (12907.32263s) stopped
T12 >> 1462260608.41492009 Calculate projections (414.34571s) started
T12 << 1462260610.18757391 Calculate projections (416.11836s) stopped
T12 << 1462260610.18777704 LCAO eigensolver (15308.11601s) stopped
T12 >> 1462260613.37407494 Density (3703.77433s) started
T12 >> 1462260613.37408900 Pseudo density (2879.78413s) started
T12 >> 1462260613.37626600 Calculate density matrix (2706.55999s) started
T12 << 1462260625.15873098 Calculate density matrix (2718.34246s) stopped
T12 >> 1462260625.15878296 Construct density (168.63723s) started
T12 << 1462260625.90139699 Construct density (169.37984s) stopped
T12 >> 1462260625.91648698 Symmetrize density (0.01926s) started
T12 << 1462260625.91654611 Symmetrize density (0.01932s) stopped
T12 << 1462260625.91854191 Pseudo density (2892.32858s) stopped
T12 >> 1462260625.91860199 Atomic density matrices (723.09662s) started
T12 << 1462260629.31249595 Atomic density matrices (726.49051s) stopped
T12 >> 1462260629.31252909 Multipole moments (2.20795s) started
T12 << 1462260629.32434511 Multipole moments (2.21977s) stopped
T12 >> 1462260629.32436895 Normalize (1.56967s) started
T12 << 1462260629.33054709 Normalize (1.57585s) stopped
T12 >> 1462260629.33059192 Mix (97.09897s) started
T12 << 1462260629.71842694 Mix (97.48680s) stopped
T12 << 1462260629.71847296 Density (3720.11873s) stopped
T12 >> 1462260629.71850204 Hamiltonian (10349.27824s) started
T12 >> 1462260629.71851707 vbar (6.26621s) started
T12 << 1462260629.73837090 vbar (6.28607s) stopped
T12 >> 1462260629.73847103 XC 3D grid (6434.79113s) started
T12 >> 1462260630.23036098 van der Waals (6217.94786s) started
T12 >> 1462260630.34236312 semilocal (1309.31988s) started
T12 << 1462260636.16299701 semilocal (1315.14051s) stopped
T12 >> 1462260636.23460793 redistribute (663.34191s) started
T12 << 1462260637.22972989 redistribute (664.33703s) stopped
T12 >> 1462260637.22980309 libvdwxc nonlocal (4201.89352s) started
T12 << 1462260655.75020289 libvdwxc nonlocal (4220.41392s) stopped
T12 >> 1462260655.75026703 redistribute (664.33709s) started
T12 << 1462260657.57594395 redistribute (666.16277s) stopped
T12 << 1462260657.57736492 van der Waals (6245.29486s) stopped
T12 << 1462260658.02683592 XC 3D grid (6463.07950s) stopped
T12 >> 1462260658.02687502 Poisson (1520.60417s) started
T12 << 1462260669.46308994 Poisson (1532.04039s) stopped
T12 >> 1462260669.46315789 Hartree integrate/restrict (83.51863s) started
T12 << 1462260669.51211596 Hartree integrate/restrict (83.56758s) stopped
T12 >> 1462260669.51216292 Hartree integrate/restrict (83.56761s) started
T12 << 1462260669.81514001 Hartree integrate/restrict (83.87059s) stopped
T12 >> 1462260669.81530499 Atomic (539.05019s) started
T12 >> 1462260669.81721497 XC Correction (0.00755s) started
T12 << 1462260669.81723094 XC Correction (0.00757s) stopped
T12 << 1462260672.23868990 Atomic (541.47357s) stopped
T12 >> 1462260672.23887205 Communicate (1764.94028s) started
T12 << 1462260684.75548005 Communicate (1777.45689s) stopped
T12 << 1462260684.75551605 Hamiltonian (10404.31525s) stopped
T12 >> 1462260684.75554109 LCAO eigensolver (15308.11603s) started
T12 >> 1462260684.75555396 Potential matrix (232.99295s) started
T12 << 1462260685.71434307 Potential matrix (233.95174s) stopped
T12 >> 1462260685.71443009 DistributedAtomicCorrection (91.03116s) started
T12 << 1462260686.10003710 DistributedAtomicCorrection (91.41676s) stopped
T12 >> 1462260686.10008502 Distribute overlap matrix (1659.46289s) started
T12 >> 1462260686.10010910 blocked summation (939.11286s) started
T12 << 1462260690.23526812 blocked summation (943.24802s) stopped
T12 >> 1462260690.24482298 Scalapack redistribute (717.97040s) started
T12 << 1462260693.48040390 Scalapack redistribute (721.20598s) stopped
T12 << 1462260693.48048091 Distribute overlap matrix (1666.84329s) stopped
T12 >> 1462260693.48458195 Blacs Orbital Layouts (12907.32265s) started
T12 >> 1462260693.49281693 General diagonalize (12854.94214s) started
T12 << 1462260747.45312405 General diagonalize (12908.90244s) stopped
T12 >> 1462260747.45317006 Redistribute coefs (1.92275s) started
T12 << 1462260747.46066308 Redistribute coefs (1.93025s) stopped
T12 >> 1462260747.46073389 Send coefs to domains (48.31251s) started
T12 << 1462260747.69140291 Send coefs to domains (48.54318s) stopped
T12 << 1462260747.69170690 Blacs Orbital Layouts (12961.52977s) stopped
T12 >> 1462260747.69173598 Calculate projections (416.11842s) started
T12 << 1462260749.46269488 Calculate projections (417.88937s) stopped
T12 << 1462260749.46306801 LCAO eigensolver (15372.82356s) stopped
T12 >> 1462260752.65051389 Density (3720.11874s) started
T12 >> 1462260752.65052891 Pseudo density (2892.32863s) started
T12 >> 1462260752.65243006 Calculate density matrix (2718.34249s) started
T12 << 1462260764.51185608 Calculate density matrix (2730.20192s) stopped
T12 >> 1462260764.51190209 Construct density (169.37990s) started
T12 << 1462260765.25318789 Construct density (170.12118s) stopped
T12 >> 1462260765.26804590 Symmetrize density (0.01933s) started
T12 << 1462260765.26811504 Symmetrize density (0.01940s) stopped
T12 << 1462260765.27013397 Pseudo density (2904.94824s) stopped
T12 >> 1462260765.27019310 Atomic density matrices (726.49054s) started
T12 << 1462260768.54040790 Atomic density matrices (729.76075s) stopped
T12 >> 1462260768.54044104 Multipole moments (2.21978s) started
T12 << 1462260768.55219603 Multipole moments (2.23154s) stopped
T12 >> 1462260768.55222011 Normalize (1.57588s) started
T12 << 1462260768.55848289 Normalize (1.58214s) stopped
T12 >> 1462260768.55852699 Mix (97.48685s) started
T12 << 1462260768.95922303 Mix (97.88754s) stopped
T12 << 1462260768.95928907 Density (3736.42751s) stopped
T12 >> 1462260768.95932293 Hamiltonian (10404.31526s) started
T12 >> 1462260768.95933890 vbar (6.28612s) started
T12 << 1462260768.99654889 vbar (6.32333s) stopped
T12 >> 1462260768.99671412 XC 3D grid (6463.07953s) started
T12 >> 1462260769.45937395 van der Waals (6245.29490s) started
T12 >> 1462260769.56867003 semilocal (1315.14059s) started
T12 << 1462260775.39640999 semilocal (1320.96833s) stopped
T12 >> 1462260775.46870589 redistribute (666.16280s) started
T12 << 1462260776.42329907 redistribute (667.11739s) stopped
T12 >> 1462260776.42334199 libvdwxc nonlocal (4220.41397s) started
T12 << 1462260795.00018597 libvdwxc nonlocal (4238.99081s) stopped
T12 >> 1462260795.00023699 redistribute (667.11743s) started
T12 << 1462260796.73600292 redistribute (668.85319s) stopped
T12 << 1462260796.73758507 van der Waals (6272.57311s) stopped
T12 << 1462260797.18891597 XC 3D grid (6491.27173s) stopped
T12 >> 1462260797.18897510 Poisson (1532.04044s) started
T12 << 1462260804.42476702 Poisson (1539.27623s) stopped
T12 >> 1462260804.42491007 Hartree integrate/restrict (83.87064s) started
T12 << 1462260804.46781111 Hartree integrate/restrict (83.91354s) stopped
T12 >> 1462260804.46785402 Hartree integrate/restrict (83.91357s) started
T12 << 1462260804.79010797 Hartree integrate/restrict (84.23582s) stopped
T12 >> 1462260804.79027510 Atomic (541.47360s) started
T12 >> 1462260804.79205489 XC Correction (0.00758s) started
T12 << 1462260804.79207206 XC Correction (0.00759s) stopped
T12 << 1462260807.20366096 Atomic (543.88698s) stopped
T12 >> 1462260807.20383310 Communicate (1777.45691s) started
T12 << 1462260819.33281112 Communicate (1789.58589s) stopped
T12 << 1462260819.33284307 Hamiltonian (10454.68878s) stopped
T12 >> 1462260819.33286691 LCAO eigensolver (15372.82358s) started
T12 >> 1462260819.33287907 Potential matrix (233.95179s) started
T12 << 1462260820.27924991 Potential matrix (234.89817s) stopped
T12 >> 1462260820.27932191 DistributedAtomicCorrection (91.41680s) started
T12 << 1462260820.66006207 DistributedAtomicCorrection (91.79754s) stopped
T12 >> 1462260820.66010809 Distribute overlap matrix (1666.84330s) started
T12 >> 1462260820.66013288 blocked summation (943.24805s) started
T12 << 1462260824.75854993 blocked summation (947.34647s) stopped
T12 >> 1462260824.76868391 Scalapack redistribute (721.20604s) started
T12 << 1462260827.76374006 Scalapack redistribute (724.20110s) stopped
T12 << 1462260827.76381898 Distribute overlap matrix (1673.94701s) stopped
T12 >> 1462260827.76899195 Blacs Orbital Layouts (12961.52979s) started
T12 >> 1462260827.77700901 General diagonalize (12908.90248s) started
T12 << 1462260882.08719397 General diagonalize (12963.21267s) stopped
T12 >> 1462260882.08724499 Redistribute coefs (1.93030s) started
T12 << 1462260882.09586406 Redistribute coefs (1.93892s) stopped
T12 >> 1462260882.09591103 Send coefs to domains (48.54321s) started
T12 << 1462260882.20193291 Send coefs to domains (48.64923s) stopped
T12 << 1462260882.20217705 Blacs Orbital Layouts (13015.96298s) stopped
T12 >> 1462260882.20220709 Calculate projections (417.88943s) started
T12 << 1462260883.98193407 Calculate projections (419.66915s) stopped
T12 << 1462260883.98239112 LCAO eigensolver (15437.47310s) stopped
T12 >> 1462260887.15348506 Density (3736.42753s) started
T12 >> 1462260887.15350103 Pseudo density (2904.94828s) started
T12 >> 1462260887.15598512 Calculate density matrix (2730.20195s) started
T12 << 1462260899.01915097 Calculate density matrix (2742.06511s) stopped
T12 >> 1462260899.01920509 Construct density (170.12123s) started
T12 << 1462260899.76185393 Construct density (170.86388s) stopped
T12 >> 1462260899.77978301 Symmetrize density (0.01942s) started
T12 << 1462260899.77986407 Symmetrize density (0.01950s) stopped
T12 << 1462260899.78236794 Pseudo density (2917.57715s) stopped
T12 >> 1462260899.78243494 Atomic density matrices (729.76078s) started
T12 << 1462260903.09937096 Atomic density matrices (733.07771s) stopped
T12 >> 1462260903.09940696 Multipole moments (2.23156s) started
T12 << 1462260903.11056805 Multipole moments (2.24272s) stopped
T12 >> 1462260903.11059189 Normalize (1.58218s) started
T12 << 1462260903.11709690 Normalize (1.58868s) stopped
T12 >> 1462260903.11714196 Mix (97.88761s) started
T12 << 1462260903.50206494 Mix (98.27253s) stopped
T12 << 1462260903.50212598 Density (3752.77617s) stopped
T12 >> 1462260903.50215602 Hamiltonian (10454.68879s) started
T12 >> 1462260903.50217199 vbar (6.32343s) started
T12 << 1462260903.53339791 vbar (6.35465s) stopped
T12 >> 1462260903.53349996 XC 3D grid (6491.27178s) started
T12 >> 1462260904.00215411 van der Waals (6272.57315s) started
T12 >> 1462260904.11537600 semilocal (1320.96842s) started
T12 << 1462260909.92467189 semilocal (1326.77772s) stopped
T12 >> 1462260910.00063801 redistribute (668.85323s) started
T12 << 1462260910.95199704 redistribute (669.80459s) stopped
T12 >> 1462260910.95204997 libvdwxc nonlocal (4238.99085s) started
T12 << 1462260929.55435896 libvdwxc nonlocal (4257.59316s) stopped
T12 >> 1462260929.55441403 redistribute (669.80463s) started
T12 << 1462260931.61959910 redistribute (671.86981s) stopped
T12 << 1462260931.62065792 van der Waals (6300.19165s) stopped
T12 << 1462260932.07830811 XC 3D grid (6519.81659s) stopped
T12 >> 1462260932.07835698 Poisson (1539.27634s) started
T12 << 1462260949.55194211 Poisson (1556.74993s) stopped
T12 >> 1462260949.55204606 Hartree integrate/restrict (84.23588s) started
T12 << 1462260949.59240794 Hartree integrate/restrict (84.27624s) stopped
T12 >> 1462260949.59246612 Hartree integrate/restrict (84.27627s) started
T12 << 1462260949.92518401 Hartree integrate/restrict (84.60899s) stopped
T12 >> 1462260949.92536998 Atomic (543.88701s) started
T12 >> 1462260949.92730999 XC Correction (0.00761s) started
T12 << 1462260949.92734003 XC Correction (0.00764s) stopped
T12 << 1462260952.34925795 Atomic (546.31089s) stopped
T12 >> 1462260952.34942889 Communicate (1789.58591s) started
T12 << 1462260963.07192206 Communicate (1800.30841s) stopped
T12 << 1462260963.07196498 Hamiltonian (10514.25860s) stopped
T12 >> 1462260963.07199192 LCAO eigensolver (15437.47312s) started
T12 >> 1462260963.07200599 Potential matrix (234.89821s) started
T12 << 1462260964.01360202 Potential matrix (235.83980s) stopped
T12 >> 1462260964.01369810 DistributedAtomicCorrection (91.79758s) started
T12 << 1462260964.39500809 DistributedAtomicCorrection (92.17889s) stopped
T12 >> 1462260964.39505601 Distribute overlap matrix (1673.94702s) started
T12 >> 1462260964.39508390 blocked summation (947.34650s) started
T12 << 1462260968.45401406 blocked summation (951.40543s) stopped
T12 >> 1462260968.46321988 Scalapack redistribute (724.20116s) started
T12 << 1462260971.49382901 Scalapack redistribute (727.23177s) stopped
T12 << 1462260971.49395609 Distribute overlap matrix (1681.04592s) stopped
T12 >> 1462260971.49847293 Blacs Orbital Layouts (13015.96300s) started
T12 >> 1462260971.50645900 General diagonalize (12963.21271s) started
T12 << 1462261025.29270792 General diagonalize (13016.99896s) stopped
T12 >> 1462261025.29275990 Redistribute coefs (1.93896s) started
T12 << 1462261025.30095792 Redistribute coefs (1.94716s) stopped
T12 >> 1462261025.30100393 Send coefs to domains (48.64927s) started
T12 << 1462261025.63107800 Send coefs to domains (48.97934s) stopped
T12 << 1462261025.63129807 Blacs Orbital Layouts (13070.09582s) stopped
T12 >> 1462261025.63132906 Calculate projections (419.66921s) started
T12 << 1462261027.40990090 Calculate projections (421.44778s) stopped
T12 << 1462261027.41011095 LCAO eigensolver (15501.81124s) stopped
T12 >> 1462261030.59055209 Density (3752.77619s) started
T12 >> 1462261030.59060001 Pseudo density (2917.57720s) started
T12 >> 1462261030.59310389 Calculate density matrix (2742.06515s) started
T12 << 1462261042.43841410 Calculate density matrix (2753.91046s) stopped
T12 >> 1462261042.43846989 Construct density (170.86394s) started
T12 << 1462261043.18143892 Construct density (171.60691s) stopped
T12 >> 1462261043.19883704 Symmetrize density (0.01952s) started
T12 << 1462261043.19891191 Symmetrize density (0.01960s) stopped
T12 << 1462261043.20137811 Pseudo density (2930.18798s) stopped
T12 >> 1462261043.20144510 Atomic density matrices (733.07774s) started
T12 << 1462261046.43797302 Atomic density matrices (736.31427s) stopped
T12 >> 1462261046.43800902 Multipole moments (2.24273s) started
T12 << 1462261046.44905496 Multipole moments (2.25378s) stopped
T12 >> 1462261046.44907904 Normalize (1.58871s) started
T12 << 1462261046.45548511 Normalize (1.59512s) stopped
T12 >> 1462261046.45552897 Mix (98.27259s) started
T12 << 1462261046.88176894 Mix (98.69883s) stopped
T12 << 1462261046.88185692 Density (3769.06749s) stopped
T12 >> 1462261046.88189006 Hamiltonian (10514.25862s) started
T12 >> 1462261046.88190699 vbar (6.35471s) started
T12 << 1462261046.91135812 vbar (6.38416s) stopped
T12 >> 1462261046.91153693 XC 3D grid (6519.81662s) started
T12 >> 1462261047.38287210 van der Waals (6300.19167s) started
T12 >> 1462261047.49593997 semilocal (1326.77778s) started
T12 << 1462261053.22598505 semilocal (1332.50782s) stopped
T12 >> 1462261053.30187988 redistribute (671.86985s) started
T12 << 1462261054.40570688 redistribute (672.97368s) stopped
T12 >> 1462261054.40575910 libvdwxc nonlocal (4257.59320s) started
T12 << 1462261072.58958411 libvdwxc nonlocal (4275.77702s) stopped
T12 >> 1462261072.58965302 redistribute (672.97372s) started
T12 << 1462261074.60141301 redistribute (674.98548s) stopped
T12 << 1462261074.60233903 van der Waals (6327.41114s) stopped
T12 << 1462261075.05150008 XC 3D grid (6547.95659s) stopped
T12 >> 1462261075.05155706 Poisson (1556.75001s) started
T12 << 1462261077.95381808 Poisson (1559.65227s) stopped
T12 >> 1462261077.95388103 Hartree integrate/restrict (84.60905s) started
T12 << 1462261077.99197006 Hartree integrate/restrict (84.64714s) stopped
T12 >> 1462261077.99205494 Hartree integrate/restrict (84.64719s) started
T12 << 1462261078.31580210 Hartree integrate/restrict (84.97094s) stopped
T12 >> 1462261078.31599212 Atomic (546.31092s) started
T12 >> 1462261078.31772804 XC Correction (0.00765s) started
T12 << 1462261078.31774306 XC Correction (0.00767s) stopped
T12 << 1462261080.72870207 Atomic (548.72363s) stopped
T12 >> 1462261080.72886300 Communicate (1800.30844s) started
T12 << 1462261090.99116206 Communicate (1810.57074s) stopped
T12 << 1462261090.99120402 Hamiltonian (10558.36793s) stopped
T12 >> 1462261090.99123001 LCAO eigensolver (15501.81126s) started
T12 >> 1462261090.99124408 Potential matrix (235.83986s) started
T12 << 1462261091.94027805 Potential matrix (236.78889s) stopped
T12 >> 1462261091.94037294 DistributedAtomicCorrection (92.17893s) started
T12 << 1462261092.32065606 DistributedAtomicCorrection (92.55921s) stopped
T12 >> 1462261092.32070398 Distribute overlap matrix (1681.04594s) started
T12 >> 1462261092.32073212 blocked summation (951.40547s) started
T12 << 1462261096.28062201 blocked summation (955.36536s) stopped
T12 >> 1462261096.28984189 Scalapack redistribute (727.23184s) started
T12 << 1462261099.39531302 Scalapack redistribute (730.33731s) stopped
T12 << 1462261099.39542294 Distribute overlap matrix (1688.12065s) stopped
T12 >> 1462261099.40026689 Blacs Orbital Layouts (13070.09584s) started
T12 >> 1462261099.40844703 General diagonalize (13016.99900s) started
T12 << 1462261152.96743011 General diagonalize (13070.55798s) stopped
T12 >> 1462261152.96748495 Redistribute coefs (1.94719s) started
T12 << 1462261152.97540593 Redistribute coefs (1.95512s) stopped
T12 >> 1462261152.97545600 Send coefs to domains (48.97938s) started
T12 << 1462261153.22620201 Send coefs to domains (49.23013s) stopped
T12 << 1462261153.22638702 Blacs Orbital Layouts (13123.92196s) stopped
T12 >> 1462261153.22641611 Calculate projections (421.44784s) started
T12 << 1462261155.00464892 Calculate projections (423.22607s) stopped
T12 << 1462261155.00486994 LCAO eigensolver (15565.82490s) stopped
T12 >> 1462261158.18554211 Density (3769.06751s) started
T12 >> 1462261158.18555808 Pseudo density (2930.18803s) started
T12 >> 1462261158.18804693 Calculate density matrix (2753.91050s) started
T12 << 1462261169.99867201 Calculate density matrix (2765.72112s) stopped
T12 >> 1462261169.99872899 Construct density (171.60697s) started
T12 << 1462261170.73994899 Construct density (172.34819s) stopped
T12 >> 1462261170.75612402 Symmetrize density (0.01962s) started
T12 << 1462261170.75618792 Symmetrize density (0.01969s) stopped
T12 << 1462261170.75867391 Pseudo density (2942.76115s) stopped
T12 >> 1462261170.75874090 Atomic density matrices (736.31430s) started
T12 << 1462261174.10727191 Atomic density matrices (739.66283s) stopped
T12 >> 1462261174.10730696 Multipole moments (2.25379s) started
T12 << 1462261174.11889410 Multipole moments (2.26538s) stopped
T12 >> 1462261174.11892700 Normalize (1.59515s) started
T12 << 1462261174.12546992 Normalize (1.60170s) stopped
T12 >> 1462261174.12551594 Mix (98.69892s) started
T12 << 1462261174.56691790 Mix (99.14032s) stopped
T12 << 1462261174.56699610 Density (3785.44896s) stopped
T12 >> 1462261174.56702900 Hamiltonian (10558.36794s) started
T12 >> 1462261174.56704593 vbar (6.38426s) started
T12 << 1462261174.60218191 vbar (6.41939s) stopped
T12 >> 1462261174.60237408 XC 3D grid (6547.95663s) started
T12 >> 1462261175.06280088 van der Waals (6327.41119s) started
T12 >> 1462261175.17640591 semilocal (1332.50790s) started
T12 << 1462261180.93506908 semilocal (1338.26657s) stopped
T12 >> 1462261181.01009107 redistribute (674.98553s) started
T12 << 1462261182.03522396 redistribute (676.01066s) stopped
T12 >> 1462261182.03527403 libvdwxc nonlocal (4275.77708s) started
T12 << 1462261200.07501006 libvdwxc nonlocal (4293.81681s) stopped
T12 >> 1462261200.07507992 redistribute (676.01070s) started
T12 << 1462261202.00834894 redistribute (677.94397s) stopped
T12 << 1462261202.00935292 van der Waals (6354.35774s) stopped
T12 << 1462261202.46037292 XC 3D grid (6575.81463s) stopped
T12 >> 1462261202.46044397 Poisson (1559.65232s) started
T12 << 1462261212.45180798 Poisson (1569.64368s) stopped
T12 >> 1462261212.45187593 Hartree integrate/restrict (84.97100s) started
T12 << 1462261212.49335504 Hartree integrate/restrict (85.01248s) stopped
T12 >> 1462261212.49343896 Hartree integrate/restrict (85.01253s) started
T12 << 1462261212.81292200 Hartree integrate/restrict (85.33201s) stopped
T12 >> 1462261212.81311011 Atomic (548.72365s) started
T12 >> 1462261212.81487799 XC Correction (0.00768s) started
T12 << 1462261212.81489301 XC Correction (0.00769s) stopped
T12 << 1462261215.21871805 Atomic (551.12926s) stopped
T12 >> 1462261215.21887302 Communicate (1810.57076s) started
T12 << 1462261225.50121403 Communicate (1820.85310s) stopped
T12 << 1462261225.50125504 Hamiltonian (10609.30217s) stopped
T12 >> 1462261225.50128198 LCAO eigensolver (15565.82492s) started
T12 >> 1462261225.50129509 Potential matrix (236.78895s) started
T12 << 1462261226.45635796 Potential matrix (237.74401s) stopped
T12 >> 1462261226.45645404 DistributedAtomicCorrection (92.55925s) started
T12 << 1462261226.83420396 DistributedAtomicCorrection (92.93700s) stopped
T12 >> 1462261226.83425307 Distribute overlap matrix (1688.12067s) started
T12 >> 1462261226.83428001 blocked summation (955.36541s) started
T12 << 1462261230.74926901 blocked summation (959.28040s) stopped
T12 >> 1462261230.75940394 Scalapack redistribute (730.33736s) started
T12 << 1462261233.85830307 Scalapack redistribute (733.43626s) stopped
T12 << 1462261233.85841298 Distribute overlap matrix (1695.14483s) stopped
T12 >> 1462261233.86307812 Blacs Orbital Layouts (13123.92198s) started
T12 >> 1462261233.87130404 General diagonalize (13070.55803s) started
T12 << 1462261287.35537195 General diagonalize (13124.04210s) stopped
T12 >> 1462261287.35548401 Redistribute coefs (1.95515s) started
T12 << 1462261287.36396098 Redistribute coefs (1.96363s) stopped
T12 >> 1462261287.36401510 Send coefs to domains (49.23017s) started
T12 << 1462261287.66041493 Send coefs to domains (49.52657s) stopped
T12 << 1462261287.66076899 Blacs Orbital Layouts (13177.71967s) stopped
T12 >> 1462261287.66079998 Calculate projections (423.22613s) started
T12 << 1462261289.44007206 Calculate projections (425.00540s) stopped
T12 << 1462261289.44028711 LCAO eigensolver (15629.76392s) stopped
T12 >> 1462261292.61438107 Density (3785.44898s) started
T12 >> 1462261292.61439705 Pseudo density (2942.76120s) started
T12 >> 1462261292.61692095 Calculate density matrix (2765.72116s) started
T12 << 1462261304.48754692 Calculate density matrix (2777.59179s) stopped
T12 >> 1462261304.48760390 Construct density (172.34824s) started
T12 << 1462261305.22957802 Construct density (173.09022s) stopped
T12 >> 1462261305.24674296 Symmetrize density (0.01971s) started
T12 << 1462261305.24680996 Symmetrize density (0.01977s) stopped
T12 << 1462261305.24928904 Pseudo density (2955.39609s) stopped
T12 >> 1462261305.24935699 Atomic density matrices (739.66286s) started
T12 << 1462261308.56741905 Atomic density matrices (742.98092s) stopped
T12 >> 1462261308.56745410 Multipole moments (2.26540s) started
T12 << 1462261308.57851505 Multipole moments (2.27646s) stopped
T12 >> 1462261308.57854795 Normalize (1.60173s) started
T12 << 1462261308.58528209 Normalize (1.60846s) stopped
T12 >> 1462261308.58532405 Mix (99.14039s) started
T12 << 1462261309.06425810 Mix (99.61933s) stopped
T12 << 1462261309.06430697 Density (3801.89890s) stopped
T12 >> 1462261309.06433511 Hamiltonian (10609.30218s) started
T12 >> 1462261309.06434989 vbar (6.41949s) started
T12 << 1462261309.09264302 vbar (6.44779s) stopped
T12 >> 1462261309.09278893 XC 3D grid (6575.81469s) started
T12 >> 1462261309.58076596 van der Waals (6354.35776s) started
T12 >> 1462261309.69268489 semilocal (1338.26664s) started
T12 << 1462261315.44553804 semilocal (1344.01949s) stopped
T12 >> 1462261315.52181101 redistribute (677.94401s) started
T12 << 1462261316.58378410 redistribute (679.00599s) stopped
T12 >> 1462261316.58387303 libvdwxc nonlocal (4293.81686s) started
T12 << 1462261334.51215792 libvdwxc nonlocal (4311.74515s) stopped
T12 >> 1462261334.51221895 redistribute (679.00606s) started
T12 << 1462261337.24294996 redistribute (681.73679s) stopped
T12 << 1462261337.24406600 van der Waals (6382.02106s) stopped
T12 << 1462261337.70204711 XC 3D grid (6604.42395s) stopped
T12 >> 1462261337.70209193 Poisson (1569.64373s) started
T12 << 1462261343.41266608 Poisson (1575.35431s) stopped
T12 >> 1462261343.41273904 Hartree integrate/restrict (85.33207s) started
T12 << 1462261343.45052099 Hartree integrate/restrict (85.36985s) stopped
T12 >> 1462261343.45060992 Hartree integrate/restrict (85.36991s) started
T12 << 1462261343.76657295 Hartree integrate/restrict (85.68587s) stopped
T12 >> 1462261343.76674795 Atomic (551.12929s) started
T12 >> 1462261343.76856208 XC Correction (0.00770s) started
T12 << 1462261343.76858497 XC Correction (0.00773s) stopped
T12 << 1462261346.18285489 Atomic (553.54539s) stopped
T12 >> 1462261346.18299103 Communicate (1820.85313s) started
T12 << 1462261356.44610000 Communicate (1831.11624s) stopped
T12 << 1462261356.44613600 Hamiltonian (10656.68398s) stopped
T12 >> 1462261356.44616294 LCAO eigensolver (15629.76394s) started
T12 >> 1462261356.44617605 Potential matrix (237.74406s) started
T12 << 1462261357.39727902 Potential matrix (238.69517s) stopped
T12 >> 1462261357.39736891 DistributedAtomicCorrection (92.93704s) started
T12 << 1462261357.76948500 DistributedAtomicCorrection (93.30916s) stopped
T12 >> 1462261357.76953197 Distribute overlap matrix (1695.14484s) started
T12 >> 1462261357.76955891 blocked summation (959.28045s) started
T12 << 1462261361.76571488 blocked summation (963.27661s) stopped
T12 >> 1462261361.77628899 Scalapack redistribute (733.43632s) started
T12 << 1462261364.82864499 Scalapack redistribute (736.48867s) stopped
T12 << 1462261364.82876301 Distribute overlap matrix (1702.20407s) stopped
T12 >> 1462261364.83374500 Blacs Orbital Layouts (13177.71969s) started
T12 >> 1462261364.84229589 General diagonalize (13124.04220s) started
T12 << 1462261419.15819311 General diagonalize (13178.35809s) stopped
T12 >> 1462261419.15824795 Redistribute coefs (1.96367s) started
T12 << 1462261419.16673803 Redistribute coefs (1.97216s) stopped
T12 >> 1462261419.16678596 Send coefs to domains (49.52660s) started
T12 << 1462261419.25261688 Send coefs to domains (49.61244s) stopped
T12 << 1462261419.25286388 Blacs Orbital Layouts (13232.13881s) stopped
T12 >> 1462261419.25289512 Calculate projections (425.00546s) started
T12 << 1462261421.03194404 Calculate projections (426.78451s) stopped
T12 << 1462261421.03231812 LCAO eigensolver (15694.35010s) stopped
T12 >> 1462261424.18544292 Density (3801.89892s) started
T12 >> 1462261424.18545890 Pseudo density (2955.39615s) started
T12 >> 1462261424.18807197 Calculate density matrix (2777.59183s) started
T12 << 1462261436.06224990 Calculate density matrix (2789.46600s) stopped
T12 >> 1462261436.06230688 Construct density (173.09028s) started
T12 << 1462261436.80327201 Construct density (173.83124s) stopped
T12 >> 1462261436.81939006 Symmetrize density (0.01980s) started
T12 << 1462261436.81945610 Symmetrize density (0.01986s) stopped
T12 << 1462261436.82195807 Pseudo density (2968.03265s) stopped
T12 >> 1462261436.82202792 Atomic density matrices (742.98095s) started
T12 << 1462261440.18852210 Atomic density matrices (746.34744s) stopped
T12 >> 1462261440.18855906 Multipole moments (2.27648s) started
T12 << 1462261440.20013499 Multipole moments (2.28805s) stopped
T12 >> 1462261440.20016694 Normalize (1.60849s) started
T12 << 1462261440.20791507 Normalize (1.61624s) stopped
T12 >> 1462261440.20796108 Mix (99.61938s) started
T12 << 1462261440.65604210 Mix (100.06746s) stopped
T12 << 1462261440.65610504 Density (3818.36958s) stopped
T12 >> 1462261440.65613198 Hamiltonian (10656.68400s) started
T12 >> 1462261440.65614700 vbar (6.44787s) started
T12 << 1462261440.68503809 vbar (6.47676s) stopped
T12 >> 1462261440.68521404 XC 3D grid (6604.42399s) started
T12 >> 1462261441.17801905 van der Waals (6382.02108s) started
T12 >> 1462261441.28966188 semilocal (1344.01958s) started
T12 << 1462261447.08357692 semilocal (1349.81350s) stopped
T12 >> 1462261447.15987897 redistribute (681.73685s) started
T12 << 1462261448.15003204 redistribute (682.72700s) stopped
T12 >> 1462261448.15011501 libvdwxc nonlocal (4311.74520s) started
T12 << 1462261466.30503511 libvdwxc nonlocal (4329.90012s) stopped
T12 >> 1462261466.30510998 redistribute (682.72707s) started
T12 << 1462261468.30648303 redistribute (684.72844s) stopped
T12 << 1462261468.30773592 van der Waals (6409.15080s) stopped
T12 << 1462261468.76236391 XC 3D grid (6632.50114s) stopped
T12 >> 1462261468.76240993 Poisson (1575.35436s) started
T12 << 1462261475.91400003 Poisson (1582.50595s) stopped
T12 >> 1462261475.91409802 Hartree integrate/restrict (85.68592s) started
T12 << 1462261475.95162702 Hartree integrate/restrict (85.72345s) stopped
T12 >> 1462261475.95171309 Hartree integrate/restrict (85.72350s) started
T12 << 1462261476.28021789 Hartree integrate/restrict (86.05201s) stopped
T12 >> 1462261476.28041410 Atomic (553.54542s) started
T12 >> 1462261476.28248906 XC Correction (0.00774s) started
T12 << 1462261476.28253102 XC Correction (0.00778s) stopped
T12 << 1462261478.68661809 Atomic (555.95162s) stopped
T12 >> 1462261478.68673992 Communicate (1831.11626s) started
T12 << 1462261488.95474410 Communicate (1841.38427s) stopped
T12 << 1462261488.95477295 Hamiltonian (10704.98264s) stopped
T12 >> 1462261488.95479608 LCAO eigensolver (15694.35011s) started
T12 >> 1462261488.95480895 Potential matrix (238.69522s) started
T12 << 1462261489.90597796 Potential matrix (239.64639s) stopped
T12 >> 1462261489.90607190 DistributedAtomicCorrection (93.30920s) started
T12 << 1462261490.28340912 DistributedAtomicCorrection (93.68653s) stopped
T12 >> 1462261490.28345609 Distribute overlap matrix (1702.20409s) started
T12 >> 1462261490.28351903 blocked summation (963.27664s) started
T12 << 1462261494.24990702 blocked summation (967.24303s) stopped
T12 >> 1462261494.26049590 Scalapack redistribute (736.48874s) started
T12 << 1462261497.35478401 Scalapack redistribute (739.58303s) stopped
T12 << 1462261497.35490489 Distribute overlap matrix (1709.27554s) stopped
T12 >> 1462261497.35927391 Blacs Orbital Layouts (13232.13883s) started
T12 >> 1462261497.36770010 General diagonalize (13178.35814s) started
T12 << 1462261550.06000996 General diagonalize (13231.05045s) stopped
T12 >> 1462261550.06005597 Redistribute coefs (1.97220s) started
T12 << 1462261550.06767201 Redistribute coefs (1.97982s) stopped
T12 >> 1462261550.06773996 Send coefs to domains (49.61248s) started
T12 << 1462261550.35094190 Send coefs to domains (49.89568s) stopped
T12 << 1462261550.35125709 Blacs Orbital Layouts (13285.13081s) stopped
T12 >> 1462261550.35128403 Calculate projections (426.78457s) started
T12 << 1462261552.11931610 Calculate projections (428.55260s) stopped
T12 << 1462261552.11978102 LCAO eigensolver (15757.51510s) stopped
T12 >> 1462261555.30241394 Density (3818.36959s) started
T12 >> 1462261555.30242896 Pseudo density (2968.03270s) started
T12 >> 1462261555.30455709 Calculate density matrix (2789.46604s) started
T12 << 1462261567.19103599 Calculate density matrix (2801.35252s) stopped
T12 >> 1462261567.19108510 Construct density (173.83130s) started
T12 << 1462261567.93100810 Construct density (174.57123s) stopped
T12 >> 1462261567.94603896 Symmetrize density (0.01988s) started
T12 << 1462261567.94609690 Symmetrize density (0.01994s) stopped
T12 << 1462261567.94818211 Pseudo density (2980.67846s) stopped
T12 >> 1462261567.94823790 Atomic density matrices (746.34747s) started
T12 << 1462261571.25333190 Atomic density matrices (749.65256s) stopped
T12 >> 1462261571.25336289 Multipole moments (2.28807s) started
T12 << 1462261571.26498389 Multipole moments (2.29969s) stopped
T12 >> 1462261571.26501298 Normalize (1.61627s) started
T12 << 1462261571.27152801 Normalize (1.62279s) stopped
T12 >> 1462261571.27157903 Mix (100.06752s) started
T12 << 1462261571.69652605 Mix (100.49247s) stopped
T12 << 1462261571.69659495 Density (3834.76377s) stopped
T12 >> 1462261571.69662094 Hamiltonian (10704.98265s) started
T12 >> 1462261571.69663811 vbar (6.47687s) started
T12 << 1462261571.72041297 vbar (6.50064s) stopped
T12 >> 1462261571.72053409 XC 3D grid (6632.50117s) started
T12 >> 1462261572.22088194 van der Waals (6409.15083s) started
T12 >> 1462261572.32956195 semilocal (1349.81355s) started
T12 << 1462261578.05459404 semilocal (1355.53858s) stopped
T12 >> 1462261578.14348006 redistribute (684.72849s) started
T12 << 1462261579.18605900 redistribute (685.77106s) stopped
T12 >> 1462261579.18610191 libvdwxc nonlocal (4329.90018s) started
T12 << 1462261597.30210900 libvdwxc nonlocal (4348.01618s) stopped
T12 >> 1462261597.30217409 redistribute (685.77110s) started
T12 << 1462261599.11305594 redistribute (687.58198s) stopped
T12 << 1462261599.11421394 van der Waals (6436.04416s) stopped
T12 << 1462261599.56909990 XC 3D grid (6660.34974s) stopped
T12 >> 1462261599.56915689 Poisson (1582.50602s) started
T12 << 1462261605.24973607 Poisson (1588.18660s) stopped
T12 >> 1462261605.24985003 Hartree integrate/restrict (86.05207s) started
T12 << 1462261605.29150891 Hartree integrate/restrict (86.09373s) stopped
T12 >> 1462261605.29158711 Hartree integrate/restrict (86.09378s) started
T12 << 1462261605.59794497 Hartree integrate/restrict (86.40014s) stopped
T12 >> 1462261605.59809899 Atomic (555.95165s) started
T12 >> 1462261605.59967709 XC Correction (0.00780s) started
T12 << 1462261605.59969211 XC Correction (0.00782s) stopped
T12 << 1462261608.01260805 Atomic (558.36615s) stopped
T12 >> 1462261608.01270795 Communicate (1841.38429s) started
T12 << 1462261618.28834510 Communicate (1851.65992s) stopped
T12 << 1462261618.28838110 Hamiltonian (10751.57441s) stopped
T12 >> 1462261618.28840590 LCAO eigensolver (15757.51512s) started
T12 >> 1462261618.28841996 Potential matrix (239.64644s) started
T12 << 1462261619.24454808 Potential matrix (240.60257s) stopped
T12 >> 1462261619.24461794 DistributedAtomicCorrection (93.68657s) started
T12 << 1462261619.62235999 DistributedAtomicCorrection (94.06431s) stopped
T12 >> 1462261619.62240696 Distribute overlap matrix (1709.27555s) started
T12 >> 1462261619.62243199 blocked summation (967.24307s) started
T12 << 1462261623.57280493 blocked summation (971.19344s) stopped
T12 >> 1462261623.58324909 Scalapack redistribute (739.58310s) started
T12 << 1462261626.76710105 Scalapack redistribute (742.76695s) stopped
T12 << 1462261626.76720190 Distribute overlap matrix (1716.42034s) stopped
T12 >> 1462261626.77314591 Blacs Orbital Layouts (13285.13083s) started
T12 >> 1462261626.78140807 General diagonalize (13231.05049s) started
T12 << 1462261680.63441396 General diagonalize (13284.90349s) stopped
T12 >> 1462261680.63446689 Redistribute coefs (1.97987s) started
T12 << 1462261680.64280701 Redistribute coefs (1.98821s) stopped
T12 >> 1462261680.64285493 Send coefs to domains (49.89572s) started
T12 << 1462261680.73902702 Send coefs to domains (49.99189s) stopped
T12 << 1462261680.73933506 Blacs Orbital Layouts (13339.09702s) stopped
T12 >> 1462261680.73936510 Calculate projections (428.55265s) started
T12 << 1462261682.51929998 Calculate projections (430.33258s) stopped
T12 << 1462261682.51977801 LCAO eigensolver (15821.74649s) stopped
T12 >> 1462261685.69713902 Density (3834.76379s) started
T12 >> 1462261685.69715500 Pseudo density (2980.67850s) started
T12 >> 1462261685.69951010 Calculate density matrix (2801.35256s) started
T12 << 1462261697.60568190 Calculate density matrix (2813.25873s) stopped
T12 >> 1462261697.60573697 Construct density (174.57128s) started
T12 << 1462261698.34896493 Construct density (175.31451s) stopped
T12 >> 1462261698.36638403 Symmetrize density (0.01996s) started
T12 << 1462261698.36645007 Symmetrize density (0.02002s) stopped
T12 << 1462261698.36894989 Pseudo density (2993.35030s) stopped
T12 >> 1462261698.36901593 Atomic density matrices (749.65259s) started
T12 << 1462261701.67810392 Atomic density matrices (752.96168s) stopped
T12 >> 1462261701.67813993 Multipole moments (2.29971s) started
T12 << 1462261701.68983293 Multipole moments (2.31140s) stopped
T12 >> 1462261701.68986702 Normalize (1.62283s) started
T12 << 1462261701.69662094 Normalize (1.62958s) stopped
T12 >> 1462261701.69666505 Mix (100.49253s) started
T12 << 1462261702.12626600 Mix (100.92213s) stopped
T12 << 1462261702.12631297 Density (3851.19296s) stopped
T12 >> 1462261702.12633801 Hamiltonian (10751.57442s) started
T12 >> 1462261702.12635398 vbar (6.50071s) started
T12 << 1462261702.15498400 vbar (6.52934s) stopped
T12 >> 1462261702.15512204 XC 3D grid (6660.34979s) started
T12 >> 1462261702.63637400 van der Waals (6436.04418s) started
T12 >> 1462261702.74922490 semilocal (1355.53873s) started
T12 << 1462261708.55231404 semilocal (1361.34182s) stopped
T12 >> 1462261708.62589407 redistribute (687.58204s) started
T12 << 1462261709.60441089 redistribute (688.56056s) stopped
T12 >> 1462261709.60446191 libvdwxc nonlocal (4348.01623s) started
T12 << 1462261727.61051106 libvdwxc nonlocal (4366.02228s) stopped
T12 >> 1462261727.61058688 redistribute (688.56060s) started
T12 << 1462261729.68670893 redistribute (690.63672s) stopped
T12 << 1462261729.68776393 van der Waals (6463.09557s) stopped
T12 << 1462261730.13881898 XC 3D grid (6688.33348s) stopped
T12 >> 1462261730.13888311 Poisson (1588.18669s) started
T12 << 1462261735.90809488 Poisson (1593.95590s) stopped
T12 >> 1462261735.90815806 Hartree integrate/restrict (86.40019s) started
T12 << 1462261735.94753289 Hartree integrate/restrict (86.43956s) stopped
T12 >> 1462261735.94759607 Hartree integrate/restrict (86.43960s) started
T12 << 1462261736.27232909 Hartree integrate/restrict (86.76433s) stopped
T12 >> 1462261736.27251792 Atomic (558.36618s) started
T12 >> 1462261736.27422690 XC Correction (0.00783s) started
T12 << 1462261736.27425098 XC Correction (0.00785s) stopped
T12 << 1462261738.67469406 Atomic (560.76835s) stopped
T12 >> 1462261738.67481995 Communicate (1851.65995s) started
T12 << 1462261748.95220590 Communicate (1861.93733s) stopped
T12 << 1462261748.95224690 Hamiltonian (10798.40033s) stopped
T12 >> 1462261748.95227504 LCAO eigensolver (15821.74651s) started
T12 >> 1462261748.95228791 Potential matrix (240.60261s) started
T12 << 1462261749.89781690 Potential matrix (241.54814s) stopped
T12 >> 1462261749.89791107 DistributedAtomicCorrection (94.06435s) started
T12 << 1462261750.27948308 DistributedAtomicCorrection (94.44592s) stopped
T12 >> 1462261750.27953196 Distribute overlap matrix (1716.42036s) started
T12 >> 1462261750.27956009 blocked summation (971.19349s) started
T12 << 1462261754.24010396 blocked summation (975.15403s) stopped
T12 >> 1462261754.24958491 Scalapack redistribute (742.76700s) started
T12 << 1462261757.37143493 Scalapack redistribute (745.88885s) stopped
T12 << 1462261757.37156510 Distribute overlap matrix (1723.51239s) stopped
T12 >> 1462261757.37608194 Blacs Orbital Layouts (13339.09704s) started
T12 >> 1462261757.38415599 General diagonalize (13284.90354s) started
T12 << 1462261811.33334494 General diagonalize (13338.85273s) stopped
T12 >> 1462261811.33342910 Redistribute coefs (1.98825s) started
T12 << 1462261811.34231305 Redistribute coefs (1.99713s) stopped
T12 >> 1462261811.34236193 Send coefs to domains (49.99193s) started
T12 << 1462261811.72269607 Send coefs to domains (50.37226s) stopped
T12 << 1462261811.72307992 Blacs Orbital Layouts (13393.44404s) stopped
T12 >> 1462261811.72311211 Calculate projections (430.33264s) started
T12 << 1462261813.50120211 Calculate projections (432.11073s) stopped
T12 << 1462261813.50160098 LCAO eigensolver (15886.29584s) stopped
T12 >> 1462261816.68954706 Density (3851.19297s) started
T12 >> 1462261816.68956208 Pseudo density (2993.35035s) started
T12 >> 1462261816.69215989 Calculate density matrix (2813.25877s) started
T12 << 1462261828.52664900 Calculate density matrix (2825.09325s) stopped
T12 >> 1462261828.52670598 Construct density (175.31456s) started
T12 << 1462261829.26755095 Construct density (176.05541s) stopped
T12 >> 1462261829.28457499 Symmetrize density (0.02004s) started
T12 << 1462261829.28464103 Symmetrize density (0.02011s) stopped
T12 << 1462261829.28711200 Pseudo density (3005.94790s) stopped
T12 >> 1462261829.28718090 Atomic density matrices (752.96170s) started
T12 << 1462261832.57102108 Atomic density matrices (756.24554s) stopped
T12 >> 1462261832.57105589 Multipole moments (2.31142s) started
T12 << 1462261832.58221507 Multipole moments (2.32258s) stopped
T12 >> 1462261832.58224797 Normalize (1.62961s) started
T12 << 1462261832.58900309 Normalize (1.63637s) stopped
T12 >> 1462261832.58904910 Mix (100.92218s) started
T12 << 1462261833.02652907 Mix (101.35966s) stopped
T12 << 1462261833.02656794 Density (3867.52999s) stopped
T12 >> 1462261833.02659798 Hamiltonian (10798.40034s) started
T12 >> 1462261833.02661395 vbar (6.52942s) started
T12 << 1462261833.05245900 vbar (6.55526s) stopped
T12 >> 1462261833.05259800 XC 3D grid (6688.33354s) started
T12 >> 1462261833.51835895 van der Waals (6463.09562s) started
T12 >> 1462261833.63252401 semilocal (1361.34188s) started
T12 << 1462261839.50789809 semilocal (1367.21725s) stopped
T12 >> 1462261839.58368206 redistribute (690.63677s) started
T12 << 1462261840.52743793 redistribute (691.58052s) stopped
T12 >> 1462261840.52752304 libvdwxc nonlocal (4366.02234s) started
T12 << 1462261858.62738395 libvdwxc nonlocal (4384.12220s) stopped
T12 >> 1462261858.62746692 redistribute (691.58059s) started
T12 << 1462261860.58974910 redistribute (693.54287s) stopped
T12 << 1462261860.59072590 van der Waals (6490.16799s) stopped
T12 << 1462261861.03959298 XC 3D grid (6716.32053s) stopped
T12 >> 1462261861.03963995 Poisson (1593.95594s) started
T12 << 1462261865.36119294 Poisson (1598.27750s) stopped
T12 >> 1462261865.36129689 Hartree integrate/restrict (86.76439s) started
T12 << 1462261865.39839411 Hartree integrate/restrict (86.80149s) stopped
T12 >> 1462261865.39849401 Hartree integrate/restrict (86.80155s) started
T12 << 1462261865.71964908 Hartree integrate/restrict (87.12271s) stopped
T12 >> 1462261865.71983790 Atomic (560.76841s) started
T12 >> 1462261865.72157311 XC Correction (0.00786s) started
T12 << 1462261865.72160006 XC Correction (0.00789s) stopped
T12 << 1462261868.13140392 Atomic (563.17997s) stopped
T12 >> 1462261868.13149595 Communicate (1861.93736s) started
T12 << 1462261878.42022705 Communicate (1872.22609s) stopped
T12 << 1462261878.42026091 Hamiltonian (10843.79400s) stopped
T12 >> 1462261878.42028594 LCAO eigensolver (15886.29586s) started
T12 >> 1462261878.42029810 Potential matrix (241.54819s) started
T12 << 1462261879.37685204 Potential matrix (242.50475s) stopped
T12 >> 1462261879.37693191 DistributedAtomicCorrection (94.44596s) started
T12 << 1462261879.75263810 DistributedAtomicCorrection (94.82167s) stopped
T12 >> 1462261879.75268507 Distribute overlap matrix (1723.51240s) started
T12 >> 1462261879.75271297 blocked summation (975.15407s) started
T12 << 1462261883.68755293 blocked summation (979.08891s) stopped
T12 >> 1462261883.69774890 Scalapack redistribute (745.88893s) started
T12 << 1462261886.80342507 Scalapack redistribute (748.99460s) stopped
T12 << 1462261886.80356503 Distribute overlap matrix (1730.56328s) stopped
T12 >> 1462261886.80818105 Blacs Orbital Layouts (13393.44406s) started
T12 >> 1462261886.81606698 General diagonalize (13338.85279s) started
T12 << 1462261937.80896211 General diagonalize (13389.84569s) stopped
T12 >> 1462261937.80901694 Redistribute coefs (1.99717s) started
T12 << 1462261937.81705403 Redistribute coefs (2.00521s) stopped
T12 >> 1462261937.81710100 Send coefs to domains (50.37230s) started
T12 << 1462261937.99513793 Send coefs to domains (50.55034s) stopped
T12 << 1462261937.99532104 Blacs Orbital Layouts (13444.63120s) stopped
T12 >> 1462261937.99535108 Calculate projections (432.11079s) started
T12 << 1462261939.77404308 Calculate projections (433.88948s) stopped
T12 << 1462261939.77443600 LCAO eigensolver (15947.65001s) stopped
T12 >> 1462261942.95706105 Density (3867.53001s) started
T12 >> 1462261942.95707703 Pseudo density (3005.94795s) started
T12 >> 1462261942.95950699 Calculate density matrix (2825.09329s) started
T12 << 1462261954.81756091 Calculate density matrix (2836.95135s) stopped
T12 >> 1462261954.81761789 Construct density (176.05547s) started
T12 << 1462261955.56074595 Construct density (176.79860s) stopped
T12 >> 1462261955.57672691 Symmetrize density (0.02013s) started
T12 << 1462261955.57679296 Symmetrize density (0.02019s) stopped
T12 << 1462261955.57927108 Pseudo density (3018.57015s) stopped
T12 >> 1462261955.57933807 Atomic density matrices (756.24557s) started
T12 << 1462261958.88026810 Atomic density matrices (759.54650s) stopped
T12 >> 1462261958.88030410 Multipole moments (2.32259s) started
T12 << 1462261958.89195108 Multipole moments (2.33424s) stopped
T12 >> 1462261958.89198208 Normalize (1.63640s) started
T12 << 1462261958.89877295 Normalize (1.64319s) stopped
T12 >> 1462261958.89882207 Mix (101.35970s) started
T12 << 1462261959.35639000 Mix (101.81727s) stopped
T12 << 1462261959.35643291 Density (3883.92938s) stopped
T12 >> 1462261959.35645795 Hamiltonian (10843.79402s) started
T12 >> 1462261959.35647202 vbar (6.55534s) started
T12 << 1462261959.38578391 vbar (6.58466s) stopped
T12 >> 1462261959.38589907 XC 3D grid (6716.32057s) started
T12 >> 1462261959.86918211 van der Waals (6490.16802s) started
T12 >> 1462261959.98384094 semilocal (1367.21732s) started
T12 << 1462261965.71791601 semilocal (1372.95140s) stopped
T12 >> 1462261965.79403305 redistribute (693.54294s) started
T12 << 1462261966.83011293 redistribute (694.57902s) stopped
T12 >> 1462261966.83016205 libvdwxc nonlocal (4384.12226s) started
T12 << 1462261984.89328599 libvdwxc nonlocal (4402.18539s) stopped
T12 >> 1462261984.89334011 redistribute (694.57905s) started
T12 << 1462261987.63787889 redistribute (697.32359s) stopped
T12 << 1462261987.63910508 van der Waals (6517.93794s) stopped
T12 << 1462261988.08769798 XC 3D grid (6745.02237s) stopped
T12 >> 1462261988.08776498 Poisson (1598.27757s) started
T12 << 1462261992.39310908 Poisson (1602.58292s) stopped
T12 >> 1462261992.39320111 Hartree integrate/restrict (87.12276s) started
T12 << 1462261992.43043900 Hartree integrate/restrict (87.16000s) stopped
T12 >> 1462261992.43053603 Hartree integrate/restrict (87.16006s) started
T12 << 1462261992.74753499 Hartree integrate/restrict (87.47706s) stopped
T12 >> 1462261992.74770498 Atomic (563.18000s) started
T12 >> 1462261992.74940991 XC Correction (0.00790s) started
T12 << 1462261992.74942493 XC Correction (0.00792s) stopped
T12 << 1462261995.16360497 Atomic (565.59590s) stopped
T12 >> 1462261995.16369390 Communicate (1872.22611s) started
T12 << 1462262005.43599892 Communicate (1882.49842s) stopped
T12 << 1462262005.43603802 Hamiltonian (10889.87360s) stopped
T12 >> 1462262005.43606400 LCAO eigensolver (15947.65003s) started
T12 >> 1462262005.43607712 Potential matrix (242.50479s) started
T12 << 1462262006.39393306 Potential matrix (243.46265s) stopped
T12 >> 1462262006.39401889 DistributedAtomicCorrection (94.82171s) started
T12 << 1462262006.76956201 DistributedAtomicCorrection (95.19725s) stopped
T12 >> 1462262006.76960707 Distribute overlap matrix (1730.56330s) started
T12 >> 1462262006.76963496 blocked summation (979.08895s) started
T12 << 1462262010.70585299 blocked summation (983.02517s) stopped
T12 >> 1462262010.71594691 Scalapack redistribute (748.99468s) started
T12 << 1462262013.82768607 Scalapack redistribute (752.10642s) stopped
T12 << 1462262013.82780790 Distribute overlap matrix (1737.62150s) stopped
T12 >> 1462262013.83268404 Blacs Orbital Layouts (13444.63122s) started
T12 >> 1462262013.84079099 General diagonalize (13389.84574s) started
T12 << 1462262067.73333812 General diagonalize (13443.73828s) stopped
T12 >> 1462262067.73341894 Redistribute coefs (2.00524s) started
T12 << 1462262067.74200010 Redistribute coefs (2.01382s) stopped
T12 >> 1462262067.74204612 Send coefs to domains (50.55038s) started
T12 << 1462262067.93060088 Send coefs to domains (50.73893s) stopped
T12 << 1462262067.93080592 Blacs Orbital Layouts (13498.72934s) stopped
T12 >> 1462262067.93084192 Calculate projections (433.88954s) started
T12 << 1462262069.70949411 Calculate projections (435.66819s) stopped
T12 << 1462262069.70987892 LCAO eigensolver (16011.92384s) stopped
T12 >> 1462262072.89577389 Density (3883.92939s) started
T12 >> 1462262072.89579010 Pseudo density (3018.57020s) started
T12 >> 1462262072.89883804 Calculate density matrix (2836.95139s) started
T12 << 1462262084.75043392 Calculate density matrix (2848.80298s) stopped
T12 >> 1462262084.75048995 Construct density (176.79866s) started
T12 << 1462262085.49298310 Construct density (177.54115s) stopped
T12 >> 1462262085.50995302 Symmetrize density (0.02021s) started
T12 << 1462262085.51001501 Symmetrize density (0.02027s) stopped
T12 << 1462262085.51248097 Pseudo density (3031.18689s) stopped
T12 >> 1462262085.51254892 Atomic density matrices (759.54653s) started
T12 << 1462262088.83322096 Atomic density matrices (762.86720s) stopped
T12 >> 1462262088.83325911 Multipole moments (2.33425s) started
T12 << 1462262088.84520888 Multipole moments (2.34620s) stopped
T12 >> 1462262088.84524107 Normalize (1.64322s) started
T12 << 1462262088.85198593 Normalize (1.64997s) stopped
T12 >> 1462262088.85202909 Mix (101.81731s) started
T12 << 1462262089.28265810 Mix (102.24794s) stopped
T12 << 1462262089.28271198 Density (3900.31633s) stopped
T12 >> 1462262089.28273892 Hamiltonian (10889.87361s) started
T12 >> 1462262089.28275490 vbar (6.58473s) started
T12 << 1462262089.31510806 vbar (6.61708s) stopped
T12 >> 1462262089.31534004 XC 3D grid (6745.02243s) started
T12 >> 1462262089.78222990 van der Waals (6517.93798s) started
T12 >> 1462262089.89768004 semilocal (1372.95150s) started
T12 << 1462262095.62619805 semilocal (1378.68002s) stopped
T12 >> 1462262095.70327806 redistribute (697.32364s) started
T12 << 1462262096.75103998 redistribute (698.37140s) stopped
T12 >> 1462262096.75109005 libvdwxc nonlocal (4402.18542s) started
T12 << 1462262115.16865706 libvdwxc nonlocal (4420.60299s) stopped
T12 >> 1462262115.16873193 redistribute (698.37144s) started
T12 << 1462262118.21044993 redistribute (701.41315s) stopped
T12 << 1462262118.21165991 van der Waals (6546.36741s) stopped
T12 << 1462262118.66725707 XC 3D grid (6774.37434s) stopped
T12 >> 1462262118.66731191 Poisson (1602.58299s) started
T12 << 1462262123.02356696 Poisson (1606.93924s) stopped
T12 >> 1462262123.02365589 Hartree integrate/restrict (87.47711s) started
T12 << 1462262123.06103611 Hartree integrate/restrict (87.51449s) stopped
T12 >> 1462262123.06120205 Hartree integrate/restrict (87.51460s) started
T12 << 1462262123.38383603 Hartree integrate/restrict (87.83723s) stopped
T12 >> 1462262123.38400197 Atomic (565.59592s) started
T12 >> 1462262123.38564110 XC Correction (0.00793s) started
T12 << 1462262123.38565612 XC Correction (0.00795s) stopped
T12 << 1462262125.80641603 Atomic (568.01833s) stopped
T12 >> 1462262125.80650496 Communicate (1882.49844s) started
T12 << 1462262136.17196989 Communicate (1892.86391s) stopped
T12 << 1462262136.17200089 Hamiltonian (10936.76287s) stopped
T12 >> 1462262136.17202401 LCAO eigensolver (16011.92386s) started
T12 >> 1462262136.17203689 Potential matrix (243.46269s) started
T12 << 1462262137.12298608 Potential matrix (244.41364s) stopped
T12 >> 1462262137.12308598 DistributedAtomicCorrection (95.19729s) started
T12 << 1462262137.53052092 DistributedAtomicCorrection (95.60472s) stopped
T12 >> 1462262137.53057003 Distribute overlap matrix (1737.62151s) started
T12 >> 1462262137.53059697 blocked summation (983.02520s) started
T12 << 1462262141.37061906 blocked summation (986.86522s) stopped
T12 >> 1462262141.38069606 Scalapack redistribute (752.10648s) started
T12 << 1462262144.59477711 Scalapack redistribute (755.32056s) stopped
T12 << 1462262144.59490299 Distribute overlap matrix (1744.68585s) stopped
T12 >> 1462262144.59971189 Blacs Orbital Layouts (13498.72937s) started
T12 >> 1462262144.60793710 General diagonalize (13443.73835s) started
T12 << 1462262196.58850694 General diagonalize (13495.71892s) stopped
T12 >> 1462262196.58858800 Redistribute coefs (2.01386s) started
T12 << 1462262196.59744000 Redistribute coefs (2.02271s) stopped
T12 >> 1462262196.59748411 Send coefs to domains (50.73897s) started
T12 << 1462262196.70259404 Send coefs to domains (50.84408s) stopped
T12 << 1462262196.70279002 Blacs Orbital Layouts (13550.83245s) stopped
T12 >> 1462262196.70282197 Calculate projections (435.66825s) started
T12 << 1462262198.48145509 Calculate projections (437.44688s) stopped
T12 << 1462262198.48184991 LCAO eigensolver (16074.23369s) stopped
T12 >> 1462262201.66431403 Density (3900.31634s) started
T12 >> 1462262201.66433001 Pseudo density (3031.18694s) started
T12 >> 1462262201.66734910 Calculate density matrix (2848.80302s) started
T12 << 1462262213.49842596 Calculate density matrix (2860.63410s) stopped
T12 >> 1462262213.49848294 Construct density (177.54121s) started
T12 << 1462262214.24134898 Construct density (178.28408s) stopped
T12 >> 1462262214.25831795 Symmetrize density (0.02029s) started
T12 << 1462262214.25838089 Symmetrize density (0.02036s) stopped
T12 << 1462262214.26084900 Pseudo density (3043.78346s) stopped
T12 >> 1462262214.26091599 Atomic density matrices (762.86723s) started
T12 << 1462262217.57374597 Atomic density matrices (766.18006s) stopped
T12 >> 1462262217.57378292 Multipole moments (2.34622s) started
T12 << 1462262217.58488703 Multipole moments (2.35732s) stopped
T12 >> 1462262217.58491898 Normalize (1.65000s) started
T12 << 1462262217.59167409 Normalize (1.65675s) stopped
T12 >> 1462262217.59171891 Mix (102.24799s) started
T12 << 1462262218.01669693 Mix (102.67297s) stopped
T12 << 1462262218.01675010 Density (3916.66878s) stopped
T12 >> 1462262218.01677608 Hamiltonian (10936.76288s) started
T12 >> 1462262218.01679111 vbar (6.61720s) started
T12 << 1462262218.04903197 vbar (6.64945s) stopped
T12 >> 1462262218.04920697 XC 3D grid (6774.37439s) started
T12 >> 1462262218.53036904 van der Waals (6546.36745s) started
T12 >> 1462262218.64388490 semilocal (1378.68013s) started
T12 << 1462262224.37880898 semilocal (1384.41505s) stopped
T12 >> 1462262224.45225096 redistribute (701.41320s) started
T12 << 1462262225.48289394 redistribute (702.44384s) stopped
T12 >> 1462262225.48294497 libvdwxc nonlocal (4420.60305s) started
T12 << 1462262243.78136897 libvdwxc nonlocal (4438.90147s) stopped
T12 >> 1462262243.78141999 redistribute (702.44388s) started
T12 << 1462262246.89733291 redistribute (705.55979s) stopped
T12 << 1462262246.89829397 van der Waals (6574.73537s) stopped
T12 << 1462262247.35485911 XC 3D grid (6803.68004s) stopped
T12 >> 1462262247.35490799 Poisson (1606.93931s) started
T12 << 1462262251.69447088 Poisson (1611.27887s) stopped
T12 >> 1462262251.69457197 Hartree integrate/restrict (87.83728s) started
T12 << 1462262251.73189092 Hartree integrate/restrict (87.87460s) stopped
T12 >> 1462262251.73198509 Hartree integrate/restrict (87.87466s) started
T12 << 1462262252.05443811 Hartree integrate/restrict (88.19711s) stopped
T12 >> 1462262252.05462289 Atomic (568.01836s) started
T12 >> 1462262252.05630493 XC Correction (0.00796s) started
T12 << 1462262252.05632710 XC Correction (0.00798s) stopped
T12 << 1462262254.47091794 Atomic (570.43465s) stopped
T12 >> 1462262254.47101092 Communicate (1892.86393s) started
T12 << 1462262264.80813789 Communicate (1903.20106s) stopped
T12 << 1462262264.80817294 Hamiltonian (10983.55428s) stopped
T12 >> 1462262264.80819798 LCAO eigensolver (16074.23371s) started
T12 >> 1462262264.80821204 Potential matrix (244.41370s) started
T12 << 1462262265.76237702 Potential matrix (245.36786s) stopped
T12 >> 1462262265.76245594 DistributedAtomicCorrection (95.60476s) started
T12 << 1462262266.14188099 DistributedAtomicCorrection (95.98419s) stopped
T12 >> 1462262266.14193010 Distribute overlap matrix (1744.68586s) started
T12 >> 1462262266.14195704 blocked summation (986.86526s) started
T12 << 1462262270.01776695 blocked summation (990.74107s) stopped
T12 >> 1462262270.02746797 Scalapack redistribute (755.32063s) started
T12 << 1462262273.20328093 Scalapack redistribute (758.49645s) stopped
T12 << 1462262273.20339298 Distribute overlap matrix (1751.74732s) stopped
T12 >> 1462262273.20792699 Blacs Orbital Layouts (13550.83247s) started
T12 >> 1462262273.21603703 General diagonalize (13495.71899s) started
T12 << 1462262325.90111709 General diagonalize (13548.40407s) stopped
T12 >> 1462262325.90116692 Redistribute coefs (2.02275s) started
T12 << 1462262325.90954804 Redistribute coefs (2.03113s) stopped
T12 >> 1462262325.90959406 Send coefs to domains (50.84412s) started
T12 << 1462262326.09419608 Send coefs to domains (51.02872s) stopped
T12 << 1462262326.09444189 Blacs Orbital Layouts (13603.71898s) stopped
T12 >> 1462262326.09447408 Calculate projections (437.44694s) started
T12 << 1462262327.87210989 Calculate projections (439.22458s) stopped
T12 << 1462262327.87249088 LCAO eigensolver (16137.29800s) stopped
T12 >> 1462262331.05962992 Density (3916.66879s) started
T12 >> 1462262331.05964494 Pseudo density (3043.78351s) started
T12 >> 1462262331.06210303 Calculate density matrix (2860.63414s) started
T12 << 1462262342.96136999 Calculate density matrix (2872.53340s) stopped
T12 >> 1462262342.96142602 Construct density (178.28414s) started
T12 << 1462262343.70365310 Construct density (179.02636s) stopped
T12 >> 1462262343.72059488 Symmetrize density (0.02038s) started
T12 << 1462262343.72065902 Symmetrize density (0.02044s) stopped
T12 << 1462262343.72313190 Pseudo density (3056.44700s) stopped
T12 >> 1462262343.72319889 Atomic density matrices (766.18009s) started
T12 << 1462262346.99504805 Atomic density matrices (769.45194s) stopped
T12 >> 1462262346.99508500 Multipole moments (2.35734s) started
T12 << 1462262347.00677490 Multipole moments (2.36903s) stopped
T12 >> 1462262347.00680804 Normalize (1.65679s) started
T12 << 1462262347.01326990 Normalize (1.66325s) stopped
T12 >> 1462262347.01331711 Mix (102.67302s) started
T12 << 1462262347.44601107 Mix (103.10571s) stopped
T12 << 1462262347.44606590 Density (3933.05523s) stopped
T12 >> 1462262347.44609404 Hamiltonian (10983.55429s) started
T12 >> 1462262347.44610906 vbar (6.64954s) started
T12 << 1462262347.47397399 vbar (6.67741s) stopped
T12 >> 1462262347.47419596 XC 3D grid (6803.68008s) started
T12 >> 1462262347.94553995 van der Waals (6574.73540s) started
T12 >> 1462262348.06004500 semilocal (1384.41513s) started
T12 << 1462262353.79948997 semilocal (1390.15458s) stopped
T12 >> 1462262353.87671995 redistribute (705.55983s) started
T12 << 1462262354.94797897 redistribute (706.63109s) stopped
T12 >> 1462262354.94803095 libvdwxc nonlocal (4438.90151s) started
T12 << 1462262373.55147910 libvdwxc nonlocal (4457.50496s) stopped
T12 >> 1462262373.55156302 redistribute (706.63113s) started
T12 << 1462262376.25775409 redistribute (709.33732s) stopped
T12 << 1462262376.25893593 van der Waals (6603.04880s) stopped
T12 << 1462262376.71621108 XC 3D grid (6832.92210s) stopped
T12 >> 1462262376.71626091 Poisson (1611.27894s) started
T12 << 1462262381.12628102 Poisson (1615.68896s) stopped
T12 >> 1462262381.12635899 Hartree integrate/restrict (88.19717s) started
T12 << 1462262381.16415191 Hartree integrate/restrict (88.23496s) stopped
T12 >> 1462262381.16426611 Hartree integrate/restrict (88.23504s) started
T12 << 1462262381.54740691 Hartree integrate/restrict (88.61818s) stopped
T12 >> 1462262381.54759598 Atomic (570.43468s) started
T12 >> 1462262381.54929495 XC Correction (0.00799s) started
T12 << 1462262381.54931092 XC Correction (0.00801s) stopped
T12 << 1462262383.96145010 Atomic (572.84853s) stopped
T12 >> 1462262383.96154094 Communicate (1903.20108s) started
T12 << 1462262394.32807207 Communicate (1913.56761s) stopped
T12 << 1462262394.32811093 Hamiltonian (11030.43631s) stopped
T12 >> 1462262394.32813811 LCAO eigensolver (16137.29802s) started
T12 >> 1462262394.32815099 Potential matrix (245.36791s) started
T12 << 1462262395.28402901 Potential matrix (246.32379s) stopped
T12 >> 1462262395.28410602 DistributedAtomicCorrection (95.98423s) started
T12 << 1462262395.65792298 DistributedAtomicCorrection (96.35804s) stopped
T12 >> 1462262395.65796804 Distribute overlap matrix (1751.74734s) started
T12 >> 1462262395.65799594 blocked summation (990.74110s) started
T12 << 1462262399.59272099 blocked summation (994.67583s) stopped
T12 >> 1462262399.60338211 Scalapack redistribute (758.49650s) started
T12 << 1462262402.72904205 Scalapack redistribute (761.62216s) stopped
T12 << 1462262402.72918105 Distribute overlap matrix (1758.81855s) stopped
T12 >> 1462262402.73393512 Blacs Orbital Layouts (13603.71900s) started
T12 >> 1462262402.74221611 General diagonalize (13548.40411s) started
T12 << 1462262453.98903489 General diagonalize (13599.65093s) stopped
T12 >> 1462262453.98907995 Redistribute coefs (2.03116s) started
T12 << 1462262453.99641895 Redistribute coefs (2.03850s) stopped
T12 >> 1462262453.99646091 Send coefs to domains (51.02876s) started
T12 << 1462262454.15997910 Send coefs to domains (51.19228s) stopped
T12 << 1462262454.16025901 Blacs Orbital Layouts (13655.14533s) stopped
T12 >> 1462262454.16028810 Calculate projections (439.22463s) started
T12 << 1462262455.93019700 Calculate projections (440.99454s) stopped
T12 << 1462262455.93065810 LCAO eigensolver (16198.90054s) stopped
T12 >> 1462262459.12418604 Density (3933.05524s) started
T12 >> 1462262459.12420106 Pseudo density (3056.44705s) started
T12 >> 1462262459.12629104 Calculate density matrix (2872.53344s) started
T12 << 1462262471.20122099 Calculate density matrix (2884.60837s) stopped
T12 >> 1462262471.20126891 Construct density (179.02642s) started
T12 << 1462262471.94410801 Construct density (179.76926s) stopped
T12 >> 1462262471.95819306 Symmetrize density (0.02046s) started
T12 << 1462262471.95825100 Symmetrize density (0.02052s) stopped
T12 << 1462262471.96037006 Pseudo density (3069.28322s) stopped
T12 >> 1462262471.96042895 Atomic density matrices (769.45197s) started
T12 << 1462262475.18115401 Atomic density matrices (772.67269s) stopped
T12 >> 1462262475.18119097 Multipole moments (2.36905s) started
T12 << 1462262475.19282103 Multipole moments (2.38068s) stopped
T12 >> 1462262475.19287109 Normalize (1.66328s) started
T12 << 1462262475.19907904 Normalize (1.66949s) stopped
T12 >> 1462262475.19912696 Mix (103.10577s) started
T12 << 1462262475.62340403 Mix (103.53004s) stopped
T12 << 1462262475.62346101 Density (3949.55452s) stopped
T12 >> 1462262475.62349010 Hamiltonian (11030.43632s) started
T12 >> 1462262475.62350512 vbar (6.67753s) started
T12 << 1462262475.65558600 vbar (6.70961s) stopped
T12 >> 1462262475.65571499 XC 3D grid (6832.92214s) started
T12 >> 1462262476.13510609 van der Waals (6603.04882s) started
T12 >> 1462262476.24572301 semilocal (1390.15466s) started
T12 << 1462262482.08300996 semilocal (1395.99195s) stopped
T12 >> 1462262482.16513991 redistribute (709.33738s) started
T12 << 1462262483.12642407 redistribute (710.29866s) stopped
T12 >> 1462262483.12646604 libvdwxc nonlocal (4457.50502s) started
T12 << 1462262501.63016796 libvdwxc nonlocal (4476.00872s) stopped
T12 >> 1462262501.63021111 redistribute (710.29870s) started
T12 << 1462262503.34933209 redistribute (712.01782s) stopped
T12 << 1462262503.35027695 van der Waals (6630.26399s) stopped
T12 << 1462262503.80440307 XC 3D grid (6861.07082s) stopped
T12 >> 1462262503.80444598 Poisson (1615.68902s) started
T12 << 1462262506.73206401 Poisson (1618.61664s) stopped
T12 >> 1462262506.73219490 Hartree integrate/restrict (88.61824s) started
T12 << 1462262506.77645898 Hartree integrate/restrict (88.66250s) stopped
T12 >> 1462262506.77650499 Hartree integrate/restrict (88.66253s) started
T12 << 1462262507.08797598 Hartree integrate/restrict (88.97400s) stopped
T12 >> 1462262507.08812809 Atomic (572.84856s) started
T12 >> 1462262507.08974504 XC Correction (0.00802s) started
T12 << 1462262507.08976007 XC Correction (0.00803s) stopped
T12 << 1462262509.50724292 Atomic (575.26767s) stopped
T12 >> 1462262509.50732899 Communicate (1913.56764s) started
T12 << 1462262520.01309705 Communicate (1924.07340s) stopped
T12 << 1462262520.01313210 Hamiltonian (11074.82596s) stopped
T12 >> 1462262520.01315689 LCAO eigensolver (16198.90056s) started
T12 >> 1462262520.01317000 Potential matrix (246.32383s) started
T12 << 1462262520.96832705 Potential matrix (247.27898s) stopped
T12 >> 1462262520.96839690 DistributedAtomicCorrection (96.35808s) started
T12 << 1462262521.36918402 DistributedAtomicCorrection (96.75887s) stopped
T12 >> 1462262521.36923099 Distribute overlap matrix (1758.81856s) started
T12 >> 1462262521.36925602 blocked summation (994.67587s) started
T12 << 1462262525.30271697 blocked summation (998.60933s) stopped
T12 >> 1462262525.31210399 Scalapack redistribute (761.62224s) started
T12 << 1462262528.40178204 Scalapack redistribute (764.71192s) stopped
T12 << 1462262528.40189099 Distribute overlap matrix (1765.85122s) stopped
T12 >> 1462262528.40647507 Blacs Orbital Layouts (13655.14535s) started
T12 >> 1462262528.41445398 General diagonalize (13599.65097s) started
T12 << 1462262582.97512293 General diagonalize (13654.21164s) stopped
T12 >> 1462262582.97516990 Redistribute coefs (2.03853s) started
T12 << 1462262582.98317194 Redistribute coefs (2.04653s) stopped
T12 >> 1462262582.98323894 Send coefs to domains (51.19231s) started
T12 << 1462262583.08294010 Send coefs to domains (51.29201s) stopped
T12 << 1462262583.08320403 Blacs Orbital Layouts (13709.82208s) stopped
T12 >> 1462262583.08323193 Calculate projections (440.99459s) started
T12 << 1462262584.85220695 Calculate projections (442.76357s) stopped
T12 << 1462262584.85256410 LCAO eigensolver (16263.73996s) stopped
T12 << 1462262588.02264500 SCF-cycle (32108.63255s) stopped
T12 >> 1462262590.15205097 Force calculation (1114.65838s) started
T12 >> 1462262590.15211606 LCAO forces (1102.22039s) started
T12 >> 1462262590.15246797 Initial (0.00034s) started
T12 << 1462262590.15247893 Initial (0.00035s) stopped
T12 >> 1462262590.15872788 Get density matrix (583.50110s) started
T12 << 1462262599.27825403 Get density matrix (592.62063s) stopped
T12 >> 1462262599.27829790 Potential (88.76399s) started
T12 << 1462262605.23762703 Potential (94.72332s) stopped
T12 >> 1462262605.23768306 Get density matrix (592.62066s) started
T12 << 1462262636.03651309 Get density matrix (623.41949s) stopped
T12 >> 1462262636.03657603 Prepare TCI loop (30.96026s) started
T12 >> 1462262636.03707790 Get neighbors (28.32024s) started
T12 << 1462262637.86795712 Get neighbors (30.15112s) stopped
T12 >> 1462262637.86849809 broadcast dH (2.62371s) started
T12 << 1462262638.10627794 broadcast dH (2.86149s) stopped
T12 << 1462262638.10631990 Prepare TCI loop (33.03000s) stopped
T12 >> 1462262638.10633898 Not so complicated loop (1.73641s) started
T12 << 1462262638.21986198 Not so complicated loop (1.84993s) stopped
T12 >> 1462262638.33245897 Complicated loop (258.91189s) started
T12 << 1462262656.24061108 Complicated loop (276.82005s) stopped
T12 >> 1462262656.24149895 Wait for sum (136.54249s) started
T12 << 1462262665.57927489 Wait for sum (145.88026s) stopped
T12 << 1462262665.57931089 LCAO forces (1177.64759s) stopped
T12 << 1462262666.38058901 Force calculation (1190.88692s) stopped
T12 >> 1462262666.39834094 Initialization (1848.42766s) started
T12 << 1462262666.39850807 Initialization (1848.42782s) stopped
T12 >> 1462262666.39872003 Initialization (1848.42784s) started
T12 << 1462262666.39885592 Initialization (1848.42797s) stopped
T12 >> 1462262666.39898896 Initialization (1848.42799s) started
T12 << 1462262666.39911604 Initialization (1848.42812s) stopped
T12 >> 1462262686.70953989 Initialization (1848.42814s) started
T12 >> 1462262686.84430504 Basic WFS set positions (1.31511s) started
T12 >> 1462262686.84432912 Redistribute (0.00899s) started
T12 << 1462262686.84446597 Redistribute (0.00912s) stopped
T12 << 1462262686.93023801 Basic WFS set positions (1.40104s) stopped
T12 >> 1462262686.93026304 Basis functions set positions (26.58331s) started
T12 << 1462262688.71582794 Basis functions set positions (28.36887s) stopped
T12 >> 1462262688.71626091 TCI: Calculate S, T, P (227.37068s) started
T12 << 1462262703.58087897 TCI: Calculate S, T, P (242.23530s) stopped
T12 >> 1462262703.58093500 blocked summation (288.00789s) started
T12 << 1462262724.38738894 blocked summation (308.81434s) stopped
T12 >> 1462262724.39683390 Scalapack redistribute (109.02209s) started
T12 << 1462262731.26059890 Scalapack redistribute (115.88585s) stopped
T12 >> 1462262731.26166797 blocked summation (308.81442s) started
T12 << 1462262732.33578491 blocked summation (309.88854s) stopped
T12 >> 1462262732.34530306 Scalapack redistribute (115.88591s) started
T12 << 1462262732.56370497 Scalapack redistribute (116.10431s) stopped
T12 >> 1462262732.56554103 Redistribute (0.07186s) started
T12 << 1462262732.56608295 Redistribute (0.07240s) stopped
T12 >> 1462262734.20385599 Redistribute (0.07242s) started
T12 << 1462262734.20432401 Redistribute (0.07289s) stopped
T12 >> 1462262734.21954107 LCAO WFS Initialize (1162.57856s) started
T12 >> 1462262734.21963096 Density initialize from wavefunctions (212.19680s) started
T12 >> 1462262734.22444606 Calculate density matrix (148.09801s) started
T12 << 1462262744.05936909 Calculate density matrix (157.93294s) stopped
T12 >> 1462262744.05941701 Construct density (11.11334s) started
T12 << 1462262744.80362296 Construct density (11.85754s) stopped
T12 >> 1462262744.81813407 Symmetrize density (0.00122s) started
T12 << 1462262744.81819296 Symmetrize density (0.00127s) stopped
T12 << 1462262748.40151906 Density initialize from wavefunctions (226.37869s) stopped
T12 >> 1462262748.40181398 Hamiltonian (949.46408s) started
T12 >> 1462262748.40183210 vbar (0.47350s) started
T12 << 1462262748.42247701 vbar (0.49414s) stopped
T12 >> 1462262748.42257404 XC 3D grid (461.46913s) started
T12 >> 1462262748.95501590 van der Waals (446.19903s) started
T12 >> 1462262749.06354189 semilocal (92.82266s) started
T12 << 1462262754.86816597 semilocal (98.62729s) stopped
T12 >> 1462262754.94124293 redistribute (54.54479s) started
T12 << 1462262755.90800190 redistribute (55.51155s) stopped
T12 >> 1462262755.90807295 libvdwxc nonlocal (295.75075s) started
T12 << 1462262774.80162001 libvdwxc nonlocal (314.64430s) stopped
T12 >> 1462262774.80171108 redistribute (55.51160s) started
T12 << 1462262776.65162301 redistribute (57.36151s) stopped
T12 << 1462262776.65271091 van der Waals (473.89673s) stopped
T12 << 1462262777.10837889 XC 3D grid (490.15494s) stopped
T12 >> 1462262777.10843897 Poisson (278.81384s) started
T12 << 1462262788.82860088 Poisson (290.53400s) stopped
T12 >> 1462262788.82872510 Hartree integrate/restrict (5.88123s) started
T12 << 1462262788.87503004 Hartree integrate/restrict (5.92754s) stopped
T12 >> 1462262788.87507796 Hartree integrate/restrict (5.92757s) started
T12 << 1462262789.20504808 Hartree integrate/restrict (6.25754s) stopped
T12 >> 1462262789.20521498 Atomic (37.47514s) started
T12 >> 1462262789.20720601 XC Correction (0.00066s) started
T12 << 1462262789.20722795 XC Correction (0.00068s) stopped
T12 << 1462262791.59887290 Atomic (39.86880s) stopped
T12 >> 1462262791.59904504 Communicate (165.31824s) started
T12 << 1462262804.12772107 Communicate (177.84692s) stopped
T12 << 1462262804.12775803 Hamiltonian (1005.19002s) stopped
T12 << 1462262804.12777305 LCAO WFS Initialize (1232.48679s) stopped
T12 << 1462262804.13988900 Initialization (1965.85848s) stopped
T12 >> 1462262804.16558194 SCF-cycle (32108.63257s) started
T12 >> 1462262804.16561604 LCAO eigensolver (16263.73998s) started
T12 >> 1462262804.16562796 Potential matrix (247.27903s) started
T12 << 1462262805.12142491 Potential matrix (248.23482s) stopped
T12 >> 1462262805.12150502 DistributedAtomicCorrection (96.75891s) started
T12 << 1462262805.50970101 DistributedAtomicCorrection (97.14710s) stopped
T12 >> 1462262805.50974798 Distribute overlap matrix (1765.85123s) started
T12 >> 1462262805.50977993 blocked summation (998.60938s) started
T12 << 1462262809.62806797 blocked summation (1002.72766s) stopped
T12 >> 1462262809.63743591 Scalapack redistribute (764.71198s) started
T12 << 1462262812.91638708 Scalapack redistribute (767.99093s) stopped
T12 << 1462262812.91649795 Distribute overlap matrix (1773.25798s) stopped
T12 >> 1462262812.92102194 Blacs Orbital Layouts (13709.82210s) started
T12 >> 1462262812.93031693 General diagonalize (13654.21167s) started
T12 << 1462262867.63266492 General diagonalize (13708.91402s) stopped
T12 >> 1462262867.63271403 Redistribute coefs (2.04659s) started
T12 << 1462262867.63983297 Redistribute coefs (2.05371s) stopped
T12 >> 1462262867.63990402 Send coefs to domains (51.29204s) started
T12 << 1462262867.96652699 Send coefs to domains (51.61867s) stopped
T12 << 1462262867.96694207 Blacs Orbital Layouts (13764.86802s) stopped
T12 >> 1462262867.96696901 Calculate projections (442.76362s) started
T12 << 1462262869.73122907 Calculate projections (444.52788s) stopped
T12 << 1462262869.73141694 LCAO eigensolver (16329.30578s) stopped
T12 >> 1462262872.89315796 Density (3949.55453s) started
T12 >> 1462262872.89317393 Pseudo density (3069.28327s) started
T12 >> 1462262872.89489603 Calculate density matrix (2884.60841s) started
T12 << 1462262884.82266998 Calculate density matrix (2896.53618s) stopped
T12 >> 1462262884.82271910 Construct density (179.76931s) started
T12 << 1462262885.56759000 Construct density (180.51418s) stopped
T12 >> 1462262885.58177710 Symmetrize density (0.02053s) started
T12 << 1462262885.58184695 Symmetrize density (0.02060s) stopped
T12 << 1462262885.58382392 Pseudo density (3081.97392s) stopped
T12 >> 1462262885.58388209 Atomic density matrices (772.67272s) started
T12 << 1462262888.83054900 Atomic density matrices (775.91939s) stopped
T12 >> 1462262888.83058095 Multipole moments (2.38071s) started
T12 << 1462262888.84221292 Multipole moments (2.39235s) stopped
T12 >> 1462262888.84223604 Normalize (1.66953s) started
T12 << 1462262888.84846306 Normalize (1.67575s) stopped
T12 >> 1462262888.84851503 Mix (103.53010s) started
T12 << 1462262889.19920397 Mix (103.88079s) stopped
T12 << 1462262889.19925809 Density (3965.86063s) stopped
T12 >> 1462262889.19928908 Hamiltonian (11074.82598s) started
T12 >> 1462262889.19930410 vbar (6.70968s) started
T12 << 1462262889.22427797 vbar (6.73466s) stopped
T12 >> 1462262889.22439694 XC 3D grid (6861.07086s) started
T12 >> 1462262889.76660705 van der Waals (6630.26402s) started
T12 >> 1462262889.87596107 semilocal (1395.99204s) started
T12 << 1462262895.68093896 semilocal (1401.79702s) stopped
T12 >> 1462262895.75668907 redistribute (712.01787s) started
T12 << 1462262896.76360989 redistribute (713.02479s) stopped
T12 >> 1462262896.76367593 libvdwxc nonlocal (4476.00876s) started
T12 << 1462262915.26823807 libvdwxc nonlocal (4494.51332s) stopped
T12 >> 1462262915.26828790 redistribute (713.02484s) started
T12 << 1462262917.04364991 redistribute (714.80020s) stopped
T12 << 1462262917.04497790 van der Waals (6657.54239s) stopped
T12 << 1462262917.49671102 XC 3D grid (6889.34317s) stopped
T12 >> 1462262917.49675107 Poisson (1618.61674s) started
T12 << 1462262923.31039000 Poisson (1624.43038s) stopped
T12 >> 1462262923.31047201 Hartree integrate/restrict (88.97405s) started
T12 << 1462262923.35337901 Hartree integrate/restrict (89.01696s) stopped
T12 >> 1462262923.35342002 Hartree integrate/restrict (89.01698s) started
T12 << 1462262923.67617512 Hartree integrate/restrict (89.33974s) stopped
T12 >> 1462262923.67632699 Atomic (575.26769s) started
T12 >> 1462262923.67833304 XC Correction (0.00805s) started
T12 << 1462262923.67837095 XC Correction (0.00808s) stopped
T12 << 1462262926.09054589 Atomic (577.68191s) stopped
T12 >> 1462262926.09072709 Communicate (1924.07343s) started
T12 << 1462262938.57050896 Communicate (1936.55321s) stopped
T12 << 1462262938.57054210 Hamiltonian (11124.19723s) stopped
T12 >> 1462262938.57056594 LCAO eigensolver (16329.30580s) started
T12 >> 1462262938.57057905 Potential matrix (248.23487s) started
T12 << 1462262939.52557206 Potential matrix (249.18986s) stopped
T12 >> 1462262939.52565289 DistributedAtomicCorrection (97.14714s) started
T12 << 1462262939.91170502 DistributedAtomicCorrection (97.53320s) stopped
T12 >> 1462262939.91175103 Distribute overlap matrix (1773.25800s) started
T12 >> 1462262939.91178298 blocked summation (1002.72772s) started
T12 << 1462262943.98047805 blocked summation (1006.79641s) stopped
T12 >> 1462262943.99005699 Scalapack redistribute (767.99099s) started
T12 << 1462262946.96175098 Scalapack redistribute (770.96268s) stopped
T12 << 1462262946.96183395 Distribute overlap matrix (1780.30808s) stopped
T12 >> 1462262946.96642303 Blacs Orbital Layouts (13764.86804s) started
T12 >> 1462262946.97545290 General diagonalize (13708.91406s) started
T12 << 1462263001.44016910 General diagonalize (13763.37878s) stopped
T12 >> 1462263001.44024396 Redistribute coefs (2.05376s) started
T12 << 1462263001.44935107 Redistribute coefs (2.06287s) stopped
T12 >> 1462263001.44939995 Send coefs to domains (51.61870s) started
T12 << 1462263001.57059407 Send coefs to domains (51.73989s) stopped
T12 << 1462263001.57104802 Blacs Orbital Layouts (13819.47266s) stopped
T12 >> 1462263001.57107806 Calculate projections (444.52793s) started
T12 << 1462263003.35052109 Calculate projections (446.30737s) stopped
T12 << 1462263003.35103297 LCAO eigensolver (16394.08627s) stopped
T12 >> 1462263006.53320909 Density (3965.86065s) started
T12 >> 1462263006.53322411 Pseudo density (3081.97397s) started
T12 >> 1462263006.53572893 Calculate density matrix (2896.53622s) started
T12 << 1462263018.39952111 Calculate density matrix (2908.40001s) stopped
T12 >> 1462263018.39957690 Construct density (180.51423s) started
T12 << 1462263019.14554501 Construct density (181.26020s) stopped
T12 >> 1462263019.16192198 Symmetrize density (0.02062s) started
T12 << 1462263019.16200304 Symmetrize density (0.02070s) stopped
T12 << 1462263019.16450191 Pseudo density (3094.60525s) stopped
T12 >> 1462263019.16457200 Atomic density matrices (775.91941s) started
T12 << 1462263022.38507295 Atomic density matrices (779.13991s) stopped
T12 >> 1462263022.38510990 Multipole moments (2.39236s) started
T12 << 1462263022.39678907 Multipole moments (2.40404s) stopped
T12 >> 1462263022.39681292 Normalize (1.67579s) started
T12 << 1462263022.40460396 Normalize (1.68358s) stopped
T12 >> 1462263022.40470409 Mix (103.88084s) started
T12 << 1462263022.77913094 Mix (104.25527s) stopped
T12 << 1462263022.77917290 Density (3982.10661s) stopped
T12 >> 1462263022.77920389 Hamiltonian (11124.19724s) started
T12 >> 1462263022.77922106 vbar (6.73473s) started
T12 << 1462263022.81544995 vbar (6.77096s) stopped
T12 >> 1462263022.81562901 XC 3D grid (6889.34320s) started
T12 >> 1462263023.28478694 van der Waals (6657.54242s) started
T12 >> 1462263023.40149903 semilocal (1401.79710s) started
T12 << 1462263029.14865708 semilocal (1407.54426s) stopped
T12 >> 1462263029.22704101 redistribute (714.80023s) started
T12 << 1462263030.29265189 redistribute (715.86585s) stopped
T12 >> 1462263030.29270101 libvdwxc nonlocal (4494.51336s) started
T12 << 1462263048.66658092 libvdwxc nonlocal (4512.88724s) stopped
T12 >> 1462263048.66664600 redistribute (715.86588s) started
T12 << 1462263050.68751907 redistribute (717.88676s) stopped
T12 << 1462263050.68893099 van der Waals (6684.94657s) stopped
T12 << 1462263051.14714408 XC 3D grid (6917.67472s) stopped
T12 >> 1462263051.14720392 Poisson (1624.43044s) started
T12 << 1462263058.33836794 Poisson (1631.62161s) stopped
T12 >> 1462263058.33845496 Hartree integrate/restrict (89.33978s) started
T12 << 1462263058.37749410 Hartree integrate/restrict (89.37882s) stopped
T12 >> 1462263058.37759304 Hartree integrate/restrict (89.37888s) started
T12 << 1462263058.70062995 Hartree integrate/restrict (89.70192s) stopped
T12 >> 1462263058.70077705 Atomic (577.68193s) started
T12 >> 1462263058.70255899 XC Correction (0.00810s) started
T12 << 1462263058.70257497 XC Correction (0.00811s) stopped
T12 << 1462263061.12486696 Atomic (580.10602s) stopped
T12 >> 1462263061.12504506 Communicate (1936.55323s) started
T12 << 1462263073.31752300 Communicate (1948.74571s) stopped
T12 << 1462263073.31755710 Hamiltonian (11174.73559s) stopped
T12 >> 1462263073.31757998 LCAO eigensolver (16394.08629s) started
T12 >> 1462263073.31759310 Potential matrix (249.18991s) started
T12 << 1462263074.26577210 Potential matrix (250.13809s) stopped
T12 >> 1462263074.26587009 DistributedAtomicCorrection (97.53323s) started
T12 << 1462263074.66696191 DistributedAtomicCorrection (97.93433s) stopped
T12 >> 1462263074.66701007 Distribute overlap matrix (1780.30809s) started
T12 >> 1462263074.66704106 blocked summation (1006.79646s) started
T12 << 1462263078.60296512 blocked summation (1010.73239s) stopped
T12 >> 1462263078.61361194 Scalapack redistribute (770.96272s) started
T12 << 1462263081.70835710 Scalapack redistribute (774.05747s) stopped
T12 << 1462263081.70845389 Distribute overlap matrix (1787.34954s) stopped
T12 >> 1462263081.71323395 Blacs Orbital Layouts (13819.47268s) started
T12 >> 1462263081.72194791 General diagonalize (13763.37884s) started
T12 << 1462263133.01653099 General diagonalize (13814.67342s) stopped
T12 >> 1462263133.01660705 Redistribute coefs (2.06291s) started
T12 << 1462263133.02519608 Redistribute coefs (2.07150s) stopped
T12 >> 1462263133.02524495 Send coefs to domains (51.73993s) started
T12 << 1462263133.28153205 Send coefs to domains (51.99622s) stopped
T12 << 1462263133.28202295 Blacs Orbital Layouts (13871.04147s) stopped
T12 >> 1462263133.28205299 Calculate projections (446.30743s) started
T12 << 1462263135.06188703 Calculate projections (448.08727s) stopped
T12 << 1462263135.06227994 LCAO eigensolver (16455.83099s) stopped
T12 >> 1462263138.23595500 Density (3982.10662s) started
T12 >> 1462263138.23597097 Pseudo density (3094.60530s) started
T12 >> 1462263138.23827791 Calculate density matrix (2908.40005s) started
T12 << 1462263150.08568311 Calculate density matrix (2920.24745s) stopped
T12 >> 1462263150.08573794 Construct density (181.26026s) started
T12 << 1462263150.83262205 Construct density (182.00714s) stopped
T12 >> 1462263150.84967589 Symmetrize density (0.02072s) started
T12 << 1462263150.84975410 Symmetrize density (0.02080s) stopped
T12 << 1462263150.85218596 Pseudo density (3107.22152s) stopped
T12 >> 1462263150.85225296 Atomic density matrices (779.13994s) started
T12 << 1462263154.20404100 Atomic density matrices (782.49173s) stopped
T12 >> 1462263154.20407796 Multipole moments (2.40406s) started
T12 << 1462263154.21555495 Multipole moments (2.41553s) stopped
T12 >> 1462263154.21557903 Normalize (1.68367s) started
T12 << 1462263154.22223496 Normalize (1.69032s) stopped
T12 >> 1462263154.22228193 Mix (104.25531s) started
T12 << 1462263154.61449003 Mix (104.64752s) stopped
T12 << 1462263154.61454511 Density (3998.48521s) stopped
T12 >> 1462263154.61456990 Hamiltonian (11174.73561s) started
T12 >> 1462263154.61458492 vbar (6.77106s) started
T12 << 1462263154.64213204 vbar (6.79860s) stopped
T12 >> 1462263154.64229393 XC 3D grid (6917.67477s) started
T12 >> 1462263155.13598895 van der Waals (6684.94659s) started
T12 >> 1462263155.25021195 semilocal (1407.54436s) started
T12 << 1462263161.07059193 semilocal (1413.36474s) stopped
T12 >> 1462263161.14482594 redistribute (717.88681s) started
T12 << 1462263162.08212304 redistribute (718.82411s) stopped
T12 >> 1462263162.08217311 libvdwxc nonlocal (4512.88728s) started
T12 << 1462263180.01928806 libvdwxc nonlocal (4530.82440s) stopped
T12 >> 1462263180.01937008 redistribute (718.82415s) started
T12 << 1462263182.09766507 redistribute (720.90244s) stopped
T12 << 1462263182.09881902 van der Waals (6711.90942s) stopped
T12 << 1462263182.55439901 XC 3D grid (6945.58687s) stopped
T12 >> 1462263182.55444908 Poisson (1631.62167s) started
T12 << 1462263188.25483298 Poisson (1637.32206s) stopped
T12 >> 1462263188.25492001 Hartree integrate/restrict (89.70195s) started
T12 << 1462263188.29309511 Hartree integrate/restrict (89.74013s) stopped
T12 >> 1462263188.29316998 Hartree integrate/restrict (89.74017s) started
T12 << 1462263188.61487508 Hartree integrate/restrict (90.06188s) stopped
T12 >> 1462263188.61507010 Atomic (580.10605s) started
T12 >> 1462263188.61684799 XC Correction (0.00813s) started
T12 << 1462263188.61686301 XC Correction (0.00814s) stopped
T12 << 1462263191.02761889 Atomic (582.51860s) stopped
T12 >> 1462263191.02778912 Communicate (1948.74573s) started
T12 << 1462263201.99057698 Communicate (1959.70852s) stopped
T12 << 1462263201.99061799 Hamiltonian (11222.11165s) stopped
T12 >> 1462263201.99064493 LCAO eigensolver (16455.83101s) started
T12 >> 1462263201.99065804 Potential matrix (250.13814s) started
T12 << 1462263202.94395709 Potential matrix (251.09144s) stopped
T12 >> 1462263202.94403911 DistributedAtomicCorrection (97.93437s) started
T12 << 1462263203.34141111 DistributedAtomicCorrection (98.33174s) stopped
T12 >> 1462263203.34146094 Distribute overlap matrix (1787.34955s) started
T12 >> 1462263203.34149194 blocked summation (1010.73242s) started
T12 << 1462263207.19885707 blocked summation (1014.58979s) stopped
T12 >> 1462263207.20781493 Scalapack redistribute (774.05754s) started
T12 << 1462263210.40858889 Scalapack redistribute (777.25831s) stopped
T12 << 1462263210.40873408 Distribute overlap matrix (1794.41682s) stopped
T12 >> 1462263210.41328907 Blacs Orbital Layouts (13871.04149s) started
T12 >> 1462263210.42168307 General diagonalize (13814.67349s) started
T12 << 1462263264.02734494 General diagonalize (13868.27915s) stopped
T12 >> 1462263264.02742004 Redistribute coefs (2.07154s) started
T12 << 1462263264.03602290 Redistribute coefs (2.08014s) stopped
T12 >> 1462263264.03607011 Send coefs to domains (51.99625s) started
T12 << 1462263264.27391005 Send coefs to domains (52.23409s) stopped
T12 << 1462263264.27435303 Blacs Orbital Layouts (13924.90255s) stopped
T12 >> 1462263264.27438307 Calculate projections (448.08732s) started
T12 << 1462263266.05379200 Calculate projections (449.86673s) stopped
T12 << 1462263266.05400395 LCAO eigensolver (16519.89437s) stopped
T12 >> 1462263269.23697400 Density (3998.48523s) started
T12 >> 1462263269.23698997 Pseudo density (3107.22157s) started
T12 >> 1462263269.23950601 Calculate density matrix (2920.24749s) started
T12 << 1462263281.38200402 Calculate density matrix (2932.38999s) stopped
T12 >> 1462263281.38206005 Construct density (182.00720s) started
T12 << 1462263282.12878895 Construct density (182.75393s) stopped
T12 >> 1462263282.14527702 Symmetrize density (0.02082s) started
T12 << 1462263282.14535093 Symmetrize density (0.02089s) stopped
T12 << 1462263282.14776301 Pseudo density (3120.13234s) stopped
T12 >> 1462263282.14783406 Atomic density matrices (782.49176s) started
T12 << 1462263285.39513707 Atomic density matrices (785.73906s) stopped
T12 >> 1462263285.39517403 Multipole moments (2.41555s) started
T12 << 1462263285.40665007 Multipole moments (2.42703s) stopped
T12 >> 1462263285.40667295 Normalize (1.69036s) started
T12 << 1462263285.41356802 Normalize (1.69725s) stopped
T12 >> 1462263285.41361308 Mix (104.64757s) started
T12 << 1462263285.84549308 Mix (105.07945s) stopped
T12 << 1462263285.84553099 Density (4015.09378s) stopped
T12 >> 1462263285.84555602 Hamiltonian (11222.11167s) started
T12 >> 1462263285.84557104 vbar (6.79871s) started
T12 << 1462263285.87002301 vbar (6.82316s) stopped
T12 >> 1462263285.87020397 XC 3D grid (6945.58691s) started
T12 >> 1462263286.36337495 van der Waals (6711.90944s) started
T12 >> 1462263286.47862411 semilocal (1413.36482s) started
T12 << 1462263292.24731898 semilocal (1419.13351s) stopped
T12 >> 1462263292.32151508 redistribute (720.90248s) started
T12 << 1462263293.33604288 redistribute (721.91701s) stopped
T12 >> 1462263293.33609605 libvdwxc nonlocal (4530.82446s) started
T12 << 1462263311.29861307 libvdwxc nonlocal (4548.78698s) stopped
T12 >> 1462263311.29869008 redistribute (721.91705s) started
T12 << 1462263313.24124908 redistribute (723.85961s) stopped
T12 << 1462263313.24212503 van der Waals (6738.78819s) stopped
T12 << 1462263313.70660090 XC 3D grid (6973.42331s) stopped
T12 >> 1462263313.70665312 Poisson (1637.32212s) started
T12 << 1462263318.01620197 Poisson (1641.63167s) stopped
T12 >> 1462263318.01631308 Hartree integrate/restrict (90.06193s) started
T12 << 1462263318.05642200 Hartree integrate/restrict (90.10204s) stopped
T12 >> 1462263318.05649590 Hartree integrate/restrict (90.10209s) started
T12 << 1462263318.37787795 Hartree integrate/restrict (90.42347s) stopped
T12 >> 1462263318.37803197 Atomic (582.51862s) started
T12 >> 1462263318.38010311 XC Correction (0.00816s) started
T12 << 1462263318.38013601 XC Correction (0.00819s) stopped
T12 << 1462263320.78354001 Atomic (584.92413s) stopped
T12 >> 1462263320.78369594 Communicate (1959.70855s) started
T12 << 1462263330.90903807 Communicate (1969.83389s) stopped
T12 << 1462263330.90907788 Hamiltonian (11267.17519s) stopped
T12 >> 1462263330.90910506 LCAO eigensolver (16519.89439s) started
T12 >> 1462263330.90911794 Potential matrix (251.09148s) started
T12 << 1462263331.86294389 Potential matrix (252.04531s) stopped
T12 >> 1462263331.86302495 DistributedAtomicCorrection (98.33178s) started
T12 << 1462263332.26790309 DistributedAtomicCorrection (98.73666s) stopped
T12 >> 1462263332.26795101 Distribute overlap matrix (1794.41684s) started
T12 >> 1462263332.26798296 blocked summation (1014.58982s) started
T12 << 1462263336.16621304 blocked summation (1018.48805s) stopped
T12 >> 1462263336.17511010 Scalapack redistribute (777.25839s) started
T12 << 1462263339.32941008 Scalapack redistribute (780.41269s) stopped
T12 << 1462263339.32955503 Distribute overlap matrix (1801.47844s) stopped
T12 >> 1462263339.33407497 Blacs Orbital Layouts (13924.90257s) started
T12 >> 1462263339.34268498 General diagonalize (13868.27921s) started
T12 << 1462263391.77626705 General diagonalize (13920.71279s) stopped
T12 >> 1462263391.77631307 Redistribute coefs (2.08017s) started
T12 << 1462263391.78395391 Redistribute coefs (2.08781s) stopped
T12 >> 1462263391.78401804 Send coefs to domains (52.23414s) started
T12 << 1462263391.87566495 Send coefs to domains (52.32579s) stopped
T12 << 1462263391.87631392 Blacs Orbital Layouts (13977.44481s) stopped
T12 >> 1462263391.87634397 Calculate projections (449.86679s) started
T12 << 1462263393.64412904 Calculate projections (451.63458s) stopped
T12 << 1462263393.64436293 LCAO eigensolver (16582.62964s) stopped
T12 >> 1462263396.82185888 Density (4015.09380s) started
T12 >> 1462263396.82187510 Pseudo density (3120.13239s) started
T12 >> 1462263396.82374191 Calculate density matrix (2932.39003s) started
T12 << 1462263408.66866803 Calculate density matrix (2944.23495s) stopped
T12 >> 1462263408.66871500 Construct density (182.75403s) started
T12 << 1462263409.41240096 Construct density (183.49771s) stopped
T12 >> 1462263409.42635894 Symmetrize density (0.02091s) started
T12 << 1462263409.42641592 Symmetrize density (0.02097s) stopped
T12 << 1462263409.42847800 Pseudo density (3132.73900s) stopped
T12 >> 1462263409.42853403 Atomic density matrices (785.73909s) started
T12 << 1462263412.77345991 Atomic density matrices (789.08402s) stopped
T12 >> 1462263412.77349091 Multipole moments (2.42704s) started
T12 << 1462263412.78466797 Multipole moments (2.43822s) stopped
T12 >> 1462263412.78469706 Normalize (1.69728s) started
T12 << 1462263412.79097104 Normalize (1.70356s) stopped
T12 >> 1462263412.79102111 Mix (105.07949s) started
T12 << 1462263413.24352407 Mix (105.53199s) stopped
T12 << 1462263413.24357200 Density (4031.51551s) stopped
T12 >> 1462263413.24359488 Hamiltonian (11267.17520s) started
T12 >> 1462263413.24360895 vbar (6.82326s) started
T12 << 1462263413.26774096 vbar (6.84740s) stopped
T12 >> 1462263413.26783895 XC 3D grid (6973.42335s) started
T12 >> 1462263413.75226593 van der Waals (6738.78822s) started
T12 >> 1462263413.86047006 semilocal (1419.13357s) started
T12 << 1462263419.58251309 semilocal (1424.85561s) stopped
T12 >> 1462263419.65336299 redistribute (723.85967s) started
T12 << 1462263420.73379588 redistribute (724.94011s) stopped
T12 >> 1462263420.73399210 libvdwxc nonlocal (4548.78704s) started
T12 << 1462263439.03855205 libvdwxc nonlocal (4567.09160s) stopped
T12 >> 1462263439.03861594 redistribute (724.94016s) started
T12 << 1462263440.79540896 redistribute (726.69695s) stopped
T12 << 1462263440.79647207 van der Waals (6765.83243s) stopped
T12 << 1462263441.24931502 XC 3D grid (7001.40483s) stopped
T12 >> 1462263441.24937892 Poisson (1641.63176s) started
T12 << 1462263446.96039796 Poisson (1647.34278s) stopped
T12 >> 1462263446.96048307 Hartree integrate/restrict (90.42351s) started
T12 << 1462263447.00429106 Hartree integrate/restrict (90.46732s) stopped
T12 >> 1462263447.00435996 Hartree integrate/restrict (90.46736s) started
T12 << 1462263447.31827307 Hartree integrate/restrict (90.78128s) stopped
T12 >> 1462263447.31843209 Atomic (584.92415s) started
T12 >> 1462263447.32005405 XC Correction (0.00820s) started
T12 << 1462263447.32006907 XC Correction (0.00822s) stopped
T12 << 1462263449.72128010 Atomic (587.32700s) stopped
T12 >> 1462263449.72142410 Communicate (1969.83392s) started
T12 << 1462263459.82609797 Communicate (1979.93859s) stopped
T12 << 1462263459.82613492 Hamiltonian (11313.75774s) stopped
T12 >> 1462263459.82615995 LCAO eigensolver (16582.62966s) started
T12 >> 1462263459.82617307 Potential matrix (252.04535s) started
T12 << 1462263460.77891111 Potential matrix (252.99809s) stopped
T12 >> 1462263460.77898312 DistributedAtomicCorrection (98.73670s) started
T12 << 1462263461.17740011 DistributedAtomicCorrection (99.13511s) stopped
T12 >> 1462263461.17744803 Distribute overlap matrix (1801.47845s) started
T12 >> 1462263461.17747498 blocked summation (1018.48809s) started
T12 << 1462263465.05818605 blocked summation (1022.36880s) stopped
T12 >> 1462263465.06780005 Scalapack redistribute (780.41276s) started
T12 << 1462263468.22580099 Scalapack redistribute (783.57076s) stopped
T12 << 1462263468.22589707 Distribute overlap matrix (1808.52690s) stopped
T12 >> 1462263468.23018003 Blacs Orbital Layouts (13977.44483s) started
T12 >> 1462263468.23916197 General diagonalize (13920.71283s) started
T12 << 1462263519.54404211 General diagonalize (13972.01771s) stopped
T12 >> 1462263519.54410911 Redistribute coefs (2.08787s) started
T12 << 1462263519.55186701 Redistribute coefs (2.09562s) stopped
T12 >> 1462263519.55193090 Send coefs to domains (52.32582s) started
T12 << 1462263519.65868807 Send coefs to domains (52.43258s) stopped
T12 << 1462263519.65916800 Blacs Orbital Layouts (14028.87382s) stopped
T12 >> 1462263519.65921092 Calculate projections (451.63463s) started
T12 << 1462263521.42757010 Calculate projections (453.40299s) stopped
T12 << 1462263521.42775702 LCAO eigensolver (16644.23126s) stopped
T12 >> 1462263524.60107803 Density (4031.51552s) started
T12 >> 1462263524.60109305 Pseudo density (3132.73904s) started
T12 >> 1462263524.60282493 Calculate density matrix (2944.23499s) started
T12 << 1462263536.55238795 Calculate density matrix (2956.18455s) stopped
T12 >> 1462263536.55243611 Construct density (183.49777s) started
T12 << 1462263537.29731894 Construct density (184.24265s) stopped
T12 >> 1462263537.31138897 Symmetrize density (0.02098s) started
T12 << 1462263537.31144500 Symmetrize density (0.02104s) stopped
T12 << 1462263537.31351900 Pseudo density (3145.45147s) stopped
T12 >> 1462263537.31357598 Atomic density matrices (789.08404s) started
T12 << 1462263540.57643294 Atomic density matrices (792.34690s) stopped
T12 >> 1462263540.57646489 Multipole moments (2.43824s) started
T12 << 1462263540.58788610 Multipole moments (2.44966s) stopped
T12 >> 1462263540.58791494 Normalize (1.70359s) started
T12 << 1462263540.59421897 Normalize (1.70990s) stopped
T12 >> 1462263540.59426498 Mix (105.53204s) started
T12 << 1462263541.05250502 Mix (105.99028s) stopped
T12 << 1462263541.05255699 Density (4047.96700s) stopped
T12 >> 1462263541.05258489 Hamiltonian (11313.75775s) started
T12 >> 1462263541.05260205 vbar (6.84745s) started
T12 << 1462263541.08827710 vbar (6.88312s) stopped
T12 >> 1462263541.08838201 XC 3D grid (7001.40488s) started
T12 >> 1462263541.57417703 van der Waals (6765.83245s) started
T12 >> 1462263541.68817091 semilocal (1424.85573s) started
T12 << 1462263547.51854610 semilocal (1430.68610s) stopped
T12 >> 1462263547.59289908 redistribute (726.69701s) started
T12 << 1462263548.56199193 redistribute (727.66610s) stopped
T12 >> 1462263548.56204510 libvdwxc nonlocal (4567.09165s) started
T12 << 1462263566.95811605 libvdwxc nonlocal (4585.48772s) stopped
T12 >> 1462263566.95818210 redistribute (727.66614s) started
T12 << 1462263568.91866398 redistribute (729.62662s) stopped
T12 << 1462263568.91982889 van der Waals (6793.17811s) stopped
T12 << 1462263569.37684107 XC 3D grid (7029.69334s) stopped
T12 >> 1462263569.37689090 Poisson (1647.34284s) started
T12 << 1462263575.11142302 Poisson (1653.07737s) stopped
T12 >> 1462263575.11152291 Hartree integrate/restrict (90.78132s) started
T12 << 1462263575.14889097 Hartree integrate/restrict (90.81869s) stopped
T12 >> 1462263575.14898300 Hartree integrate/restrict (90.81875s) started
T12 << 1462263575.47450995 Hartree integrate/restrict (91.14428s) stopped
T12 >> 1462263575.47463989 Atomic (587.32702s) started
T12 >> 1462263575.47622395 XC Correction (0.00823s) started
T12 << 1462263575.47623801 XC Correction (0.00824s) stopped
T12 << 1462263577.87884903 Atomic (589.73123s) stopped
T12 >> 1462263577.87897706 Communicate (1979.93861s) started
T12 << 1462263587.98965812 Communicate (1990.04930s) stopped
T12 << 1462263587.98969507 Hamiltonian (11360.69486s) stopped
T12 >> 1462263587.98972011 LCAO eigensolver (16644.23128s) started
T12 >> 1462263587.98973298 Potential matrix (252.99814s) started
T12 << 1462263588.94737601 Potential matrix (253.95578s) stopped
T12 >> 1462263588.94746399 DistributedAtomicCorrection (99.13515s) started
T12 << 1462263589.34516096 DistributedAtomicCorrection (99.53285s) stopped
T12 >> 1462263589.34520888 Distribute overlap matrix (1808.52692s) started
T12 >> 1462263589.34523797 blocked summation (1022.36885s) started
T12 << 1462263593.26853895 blocked summation (1026.29215s) stopped
T12 >> 1462263593.27811599 Scalapack redistribute (783.57081s) started
T12 << 1462263596.40762210 Scalapack redistribute (786.70032s) stopped
T12 << 1462263596.40772891 Distribute overlap matrix (1815.58944s) stopped
T12 >> 1462263596.41196990 Blacs Orbital Layouts (14028.87386s) started
T12 >> 1462263596.42025208 General diagonalize (13972.01777s) started
T12 << 1462263650.22923994 General diagonalize (14025.82675s) stopped
T12 >> 1462263650.22930789 Redistribute coefs (2.09568s) started
T12 << 1462263650.23697209 Redistribute coefs (2.10334s) stopped
T12 >> 1462263650.23705196 Send coefs to domains (52.43262s) started
T12 << 1462263650.47516990 Send coefs to domains (52.67074s) stopped
T12 << 1462263650.47581601 Blacs Orbital Layouts (14082.93770s) stopped
T12 >> 1462263650.47584391 Calculate projections (453.40304s) started
T12 << 1462263652.24794793 Calculate projections (455.17515s) stopped
T12 << 1462263652.24830103 LCAO eigensolver (16708.48986s) stopped
T12 >> 1462263655.44346189 Density (4047.96701s) started
T12 >> 1462263655.44347811 Pseudo density (3145.45151s) started
T12 >> 1462263655.44528604 Calculate density matrix (2956.18459s) started
T12 << 1462263667.31752706 Calculate density matrix (2968.05683s) stopped
T12 >> 1462263667.31757593 Construct density (184.24270s) started
T12 << 1462263668.06340790 Construct density (184.98853s) stopped
T12 >> 1462263668.07752895 Symmetrize density (0.02106s) started
T12 << 1462263668.07758498 Symmetrize density (0.02111s) stopped
T12 << 1462263668.07967401 Pseudo density (3158.08771s) stopped
T12 >> 1462263668.07973099 Atomic density matrices (792.34692s) started
T12 << 1462263671.35861111 Atomic density matrices (795.62580s) stopped
T12 >> 1462263671.35864305 Multipole moments (2.44967s) started
T12 << 1462263671.37014008 Multipole moments (2.46117s) stopped
T12 >> 1462263671.37017012 Normalize (1.70993s) started
T12 << 1462263671.37669992 Normalize (1.71646s) stopped
T12 >> 1462263671.37675309 Mix (105.99033s) started
T12 << 1462263671.85625696 Mix (106.46984s) stopped
T12 << 1462263671.85631394 Density (4064.37987s) stopped
T12 >> 1462263671.85633993 Hamiltonian (11360.69487s) started
T12 >> 1462263671.85635495 vbar (6.88318s) started
T12 << 1462263671.89098907 vbar (6.91781s) stopped
T12 >> 1462263671.89114189 XC 3D grid (7029.69338s) started
T12 >> 1462263672.36845493 van der Waals (6793.17813s) started
T12 >> 1462263672.47970796 semilocal (1430.68615s) started
T12 << 1462263678.27500892 semilocal (1436.48145s) stopped
T12 >> 1462263678.34666204 redistribute (729.62668s) started
T12 << 1462263679.33254194 redistribute (730.61256s) stopped
T12 >> 1462263679.33260703 libvdwxc nonlocal (4585.48777s) started
T12 << 1462263698.23474312 libvdwxc nonlocal (4604.38990s) stopped
T12 >> 1462263698.23482394 redistribute (730.61261s) started
T12 << 1462263699.95942211 redistribute (732.33721s) stopped
T12 << 1462263699.96063089 van der Waals (6820.77030s) stopped
T12 << 1462263700.41248798 XC 3D grid (7058.21473s) stopped
T12 >> 1462263700.41252995 Poisson (1653.07744s) started
T12 << 1462263704.85715604 Poisson (1657.52207s) stopped
T12 >> 1462263704.85722995 Hartree integrate/restrict (91.14431s) started
T12 << 1462263704.91593790 Hartree integrate/restrict (91.20301s) stopped
T12 >> 1462263704.91598606 Hartree integrate/restrict (91.20304s) started
T12 << 1462263705.27666402 Hartree integrate/restrict (91.56372s) stopped
T12 >> 1462263705.27682209 Atomic (589.73125s) started
T12 >> 1462263705.27853394 XC Correction (0.00825s) started
T12 << 1462263705.27855206 XC Correction (0.00827s) stopped
T12 << 1462263707.66483593 Atomic (592.11927s) stopped
T12 >> 1462263707.66495204 Communicate (1990.04932s) started
T12 << 1462263717.81608009 Communicate (2000.20045s) stopped
T12 << 1462263717.81611705 Hamiltonian (11406.65465s) stopped
T12 >> 1462263717.81614304 LCAO eigensolver (16708.48988s) started
T12 >> 1462263717.81615591 Potential matrix (253.95583s) started
T12 << 1462263718.77760196 Potential matrix (254.91728s) stopped
T12 >> 1462263718.77768707 DistributedAtomicCorrection (99.53289s) started
T12 << 1462263719.17936397 DistributedAtomicCorrection (99.93457s) stopped
T12 >> 1462263719.17941189 Distribute overlap matrix (1815.58945s) started
T12 >> 1462263719.17944002 blocked summation (1026.29221s) started
T12 << 1462263723.06513405 blocked summation (1030.17790s) stopped
T12 >> 1462263723.07469201 Scalapack redistribute (786.70038s) started
T12 << 1462263726.22525811 Scalapack redistribute (789.85095s) stopped
T12 << 1462263726.22536492 Distribute overlap matrix (1822.63540s) stopped
T12 >> 1462263726.22956204 Blacs Orbital Layouts (14082.93772s) started
T12 >> 1462263726.23814297 General diagonalize (14025.82681s) started
T12 << 1462263779.35440207 General diagonalize (14078.94307s) stopped
T12 >> 1462263779.35445094 Redistribute coefs (2.10340s) started
T12 << 1462263779.36193991 Redistribute coefs (2.11089s) stopped
T12 >> 1462263779.36202097 Send coefs to domains (52.67077s) started
T12 << 1462263779.52482796 Send coefs to domains (52.83358s) stopped
T12 << 1462263779.52523494 Blacs Orbital Layouts (14136.23339s) stopped
T12 >> 1462263779.52526402 Calculate projections (455.17520s) started
T12 << 1462263781.29538298 Calculate projections (456.94532s) stopped
T12 << 1462263781.29574108 LCAO eigensolver (16771.96948s) stopped
T12 >> 1462263784.46803498 Density (4064.37988s) started
T12 >> 1462263784.46805000 Pseudo density (3158.08775s) started
T12 >> 1462263784.46971297 Calculate density matrix (2968.05687s) started
T12 << 1462263796.34952998 Calculate density matrix (2979.93668s) stopped
T12 >> 1462263796.34957790 Construct density (184.98858s) started
T12 << 1462263797.09506798 Construct density (185.73407s) stopped
T12 >> 1462263797.10903311 Symmetrize density (0.02113s) started
T12 << 1462263797.10909796 Symmetrize density (0.02119s) stopped
T12 << 1462263797.11115193 Pseudo density (3170.73086s) stopped
T12 >> 1462263797.11120796 Atomic density matrices (795.62583s) started
T12 << 1462263800.42896795 Atomic density matrices (798.94359s) stopped
T12 >> 1462263800.42899895 Multipole moments (2.46119s) started
T12 << 1462263800.44047093 Multipole moments (2.47266s) stopped
T12 >> 1462263800.44049907 Normalize (1.71650s) started
T12 << 1462263800.44691205 Normalize (1.72291s) stopped
T12 >> 1462263800.44698501 Mix (106.46989s) started
T12 << 1462263800.88928294 Mix (106.91219s) stopped
T12 << 1462263800.88933897 Density (4080.80118s) stopped
T12 >> 1462263800.88936806 Hamiltonian (11406.65466s) started
T12 >> 1462263800.88938308 vbar (6.91790s) started
T12 << 1462263800.92343211 vbar (6.95195s) stopped
T12 >> 1462263800.92358398 XC 3D grid (7058.21476s) started
T12 >> 1462263801.38673902 van der Waals (6820.77034s) started
T12 >> 1462263801.49445391 semilocal (1436.48153s) started
T12 << 1462263807.29684806 semilocal (1442.28392s) stopped
T12 >> 1462263807.38123894 redistribute (732.33725s) started
T12 << 1462263808.36951303 redistribute (733.32553s) stopped
T12 >> 1462263808.36955905 libvdwxc nonlocal (4604.38997s) started
T12 << 1462263826.70322704 libvdwxc nonlocal (4622.72364s) stopped
T12 >> 1462263826.70329189 redistribute (733.32556s) started
T12 << 1462263828.40598106 redistribute (735.02825s) stopped
T12 << 1462263828.40736103 van der Waals (6847.79096s) stopped
T12 << 1462263828.86042404 XC 3D grid (7086.15160s) stopped
T12 >> 1462263828.86047792 Poisson (1657.52212s) started
T12 << 1462263833.18082500 Poisson (1661.84247s) stopped
T12 >> 1462263833.18089390 Hartree integrate/restrict (91.56375s) started
T12 << 1462263833.22473407 Hartree integrate/restrict (91.60759s) stopped
T12 >> 1462263833.22480893 Hartree integrate/restrict (91.60764s) started
T12 << 1462263833.53448796 Hartree integrate/restrict (91.91732s) stopped
T12 >> 1462263833.53464794 Atomic (592.11929s) started
T12 >> 1462263833.53624296 XC Correction (0.00828s) started
T12 << 1462263833.53625894 XC Correction (0.00830s) stopped
T12 << 1462263835.93959904 Atomic (594.52424s) stopped
T12 >> 1462263835.93969989 Communicate (2000.20047s) started
T12 << 1462263846.05521393 Communicate (2010.31599s) stopped
T12 << 1462263846.05524707 Hamiltonian (11451.82054s) stopped
T12 >> 1462263846.05526996 LCAO eigensolver (16771.96949s) started
T12 >> 1462263846.05528402 Potential matrix (254.91733s) started
T12 << 1462263847.01055098 Potential matrix (255.87260s) stopped
T12 >> 1462263847.01062298 DistributedAtomicCorrection (99.93461s) started
T12 << 1462263847.41154408 DistributedAtomicCorrection (100.33553s) stopped
T12 >> 1462263847.41159201 Distribute overlap matrix (1822.63541s) started
T12 >> 1462263847.41161990 blocked summation (1030.17793s) started
T12 << 1462263851.33268595 blocked summation (1034.09900s) stopped
T12 >> 1462263851.34268904 Scalapack redistribute (789.85101s) started
T12 << 1462263854.42547703 Scalapack redistribute (792.93380s) stopped
T12 << 1462263854.42556500 Distribute overlap matrix (1829.64939s) stopped
T12 >> 1462263854.43023300 Blacs Orbital Layouts (14136.23341s) started
T12 >> 1462263854.43922496 General diagonalize (14078.94311s) started
T12 << 1462263908.14079905 General diagonalize (14132.64468s) stopped
T12 >> 1462263908.14084792 Redistribute coefs (2.11096s) started
T12 << 1462263908.14795899 Redistribute coefs (2.11807s) stopped
T12 >> 1462263908.14803696 Send coefs to domains (52.83361s) started
T12 << 1462263908.35082793 Send coefs to domains (53.03640s) stopped
T12 << 1462263908.35128188 Blacs Orbital Layouts (14190.15446s) stopped
T12 >> 1462263908.35130906 Calculate projections (456.94537s) started
T12 << 1462263910.11918902 Calculate projections (458.71325s) stopped
T12 << 1462263910.11954403 LCAO eigensolver (16836.03377s) stopped
T12 >> 1462263913.29659200 Density (4080.80120s) started
T12 >> 1462263913.29660797 Pseudo density (3170.73090s) started
T12 >> 1462263913.29831195 Calculate density matrix (2979.93672s) started
T12 << 1462263925.23495197 Calculate density matrix (2991.87336s) stopped
T12 >> 1462263925.23500204 Construct density (185.73412s) started
T12 << 1462263925.97914910 Construct density (186.47827s) stopped
T12 >> 1462263925.99307394 Symmetrize density (0.02121s) started
T12 << 1462263925.99313807 Symmetrize density (0.02127s) stopped
T12 << 1462263925.99520111 Pseudo density (3183.42950s) stopped
T12 >> 1462263925.99525809 Atomic density matrices (798.94361s) started
T12 << 1462263929.26306200 Atomic density matrices (802.21142s) stopped
T12 >> 1462263929.26309395 Multipole moments (2.47267s) started
T12 << 1462263929.27464795 Multipole moments (2.48423s) stopped
T12 >> 1462263929.27467608 Normalize (1.72296s) started
T12 << 1462263929.28096700 Normalize (1.72925s) stopped
T12 >> 1462263929.28101397 Mix (106.91224s) started
T12 << 1462263929.77332711 Mix (107.40456s) stopped
T12 << 1462263929.77338004 Density (4097.27799s) stopped
T12 >> 1462263929.77340698 Hamiltonian (11451.82055s) started
T12 >> 1462263929.77342296 vbar (6.95204s) started
T12 << 1462263929.79577899 vbar (6.97439s) stopped
T12 >> 1462263929.79586411 XC 3D grid (7086.15164s) started
T12 >> 1462263930.32791901 van der Waals (6847.79099s) started
T12 >> 1462263930.43600798 semilocal (1442.28401s) started
T12 << 1462263936.17309999 semilocal (1448.02111s) stopped
T12 >> 1462263936.25704288 redistribute (735.02829s) started
T12 << 1462263937.31342292 redistribute (736.08467s) stopped
T12 >> 1462263937.31346607 libvdwxc nonlocal (4622.72369s) started
T12 << 1462263955.95502901 libvdwxc nonlocal (4641.36525s) stopped
T12 >> 1462263955.95507097 redistribute (736.08470s) started
T12 << 1462263957.61149502 redistribute (737.74113s) stopped
T12 << 1462263957.61277390 van der Waals (6875.07585s) stopped
T12 << 1462263958.06519294 XC 3D grid (7114.42097s) stopped
T12 >> 1462263958.06525397 Poisson (1661.84252s) started
T12 << 1462263962.43914700 Poisson (1666.21641s) stopped
T12 >> 1462263962.43926406 Hartree integrate/restrict (91.91737s) started
T12 << 1462263962.48753500 Hartree integrate/restrict (91.96564s) stopped
T12 >> 1462263962.48762202 Hartree integrate/restrict (91.96570s) started
T12 << 1462263962.81532097 Hartree integrate/restrict (92.29340s) stopped
T12 >> 1462263962.81545305 Atomic (594.52426s) started
T12 >> 1462263962.81699300 XC Correction (0.00831s) started
T12 << 1462263962.81700802 XC Correction (0.00833s) stopped
T12 << 1462263965.22151494 Atomic (596.93032s) stopped
T12 >> 1462263965.22160292 Communicate (2010.31601s) started
T12 << 1462263975.36999202 Communicate (2020.46440s) stopped
T12 << 1462263975.37003112 Hamiltonian (11497.41718s) stopped
T12 >> 1462263975.37005711 LCAO eigensolver (16836.03379s) started
T12 >> 1462263975.37008810 Potential matrix (255.87264s) started
T12 << 1462263976.33235908 Potential matrix (256.83491s) stopped
T12 >> 1462263976.33243108 DistributedAtomicCorrection (100.33557s) started
T12 << 1462263976.73328209 DistributedAtomicCorrection (100.73642s) stopped
T12 >> 1462263976.73332906 Distribute overlap matrix (1829.64940s) started
T12 >> 1462263976.73335600 blocked summation (1034.09903s) started
T12 << 1462263980.62134099 blocked summation (1037.98702s) stopped
T12 >> 1462263980.63246703 Scalapack redistribute (792.93384s) started
T12 << 1462263983.75889611 Scalapack redistribute (796.06027s) stopped
T12 << 1462263983.75900292 Distribute overlap matrix (1836.67507s) stopped
T12 >> 1462263983.76340604 Blacs Orbital Layouts (14190.15448s) started
T12 >> 1462263983.77223706 General diagonalize (14132.64472s) started
T12 << 1462264034.91199708 General diagonalize (14183.78448s) stopped
T12 >> 1462264034.91204309 Redistribute coefs (2.11813s) started
T12 << 1462264034.91932893 Redistribute coefs (2.12542s) stopped
T12 >> 1462264034.91940999 Send coefs to domains (53.03644s) started
T12 << 1462264035.03473306 Send coefs to domains (53.15176s) stopped
T12 << 1462264035.03532410 Blacs Orbital Layouts (14241.42640s) stopped
T12 >> 1462264035.03535295 Calculate projections (458.71330s) started
T12 << 1462264036.80414605 Calculate projections (460.48209s) stopped
T12 << 1462264036.80448294 LCAO eigensolver (16897.46821s) stopped
T12 >> 1462264039.97670197 Density (4097.27800s) started
T12 >> 1462264039.97671700 Pseudo density (3183.42954s) started
T12 >> 1462264039.97828007 Calculate density matrix (2991.87340s) started
T12 << 1462264052.28080606 Calculate density matrix (3004.17592s) stopped
T12 >> 1462264052.28085399 Construct density (186.47832s) started
T12 << 1462264053.02556205 Construct density (187.22303s) stopped
T12 >> 1462264053.03949594 Symmetrize density (0.02129s) started
T12 << 1462264053.03955293 Symmetrize density (0.02135s) stopped
T12 << 1462264053.04162097 Pseudo density (3196.49445s) stopped
T12 >> 1462264053.04167795 Atomic density matrices (802.21144s) started
T12 << 1462264056.30044508 Atomic density matrices (805.47021s) stopped
T12 >> 1462264056.30047703 Multipole moments (2.48424s) started
T12 << 1462264056.31194592 Multipole moments (2.49571s) stopped
T12 >> 1462264056.31197500 Normalize (1.72929s) started
T12 << 1462264056.31829810 Normalize (1.73561s) stopped
T12 >> 1462264056.31834507 Mix (107.40461s) started
T12 << 1462264056.79266310 Mix (107.87893s) stopped
T12 << 1462264056.79269290 Density (4114.09399s) stopped
T12 >> 1462264056.79271889 Hamiltonian (11497.41719s) started
T12 >> 1462264056.79273295 vbar (6.97444s) started
T12 << 1462264056.81499505 vbar (6.99670s) stopped
T12 >> 1462264056.81508994 XC 3D grid (7114.42102s) started
T12 >> 1462264057.36050200 van der Waals (6875.07589s) started
T12 >> 1462264057.46818399 semilocal (1448.02121s) started
T12 << 1462264063.23793411 semilocal (1453.79096s) stopped
T12 >> 1462264063.31978798 redistribute (737.74116s) started
T12 << 1462264064.40093088 redistribute (738.82230s) stopped
T12 >> 1462264064.40097404 libvdwxc nonlocal (4641.36528s) started
T12 << 1462264083.45490193 libvdwxc nonlocal (4660.41921s) stopped
T12 >> 1462264083.45496106 redistribute (738.82234s) started
T12 << 1462264085.15353203 redistribute (740.52091s) stopped
T12 << 1462264085.15454888 van der Waals (6902.86994s) stopped
T12 << 1462264085.60734296 XC 3D grid (7143.21328s) stopped
T12 >> 1462264085.60739303 Poisson (1666.21651s) started
T12 << 1462264090.00745010 Poisson (1670.61656s) stopped
T12 >> 1462264090.00750494 Hartree integrate/restrict (92.29343s) started
T12 << 1462264090.06234694 Hartree integrate/restrict (92.34827s) stopped
T12 >> 1462264090.06243300 Hartree integrate/restrict (92.34833s) started
T12 << 1462264090.37623906 Hartree integrate/restrict (92.66214s) stopped
T12 >> 1462264090.37640405 Atomic (596.93035s) started
T12 >> 1462264090.37796402 XC Correction (0.00833s) started
T12 << 1462264090.37797809 XC Correction (0.00835s) stopped
T12 << 1462264092.78470111 Atomic (599.33864s) stopped
T12 >> 1462264092.78479099 Communicate (2020.46442s) started
T12 << 1462264102.90911603 Communicate (2030.58875s) stopped
T12 << 1462264102.90915489 Hamiltonian (11543.53363s) stopped
T12 >> 1462264102.90917993 LCAO eigensolver (16897.46823s) started
T12 >> 1462264102.90919304 Potential matrix (256.83495s) started
T12 << 1462264103.86912203 Potential matrix (257.79488s) stopped
T12 >> 1462264103.86920905 DistributedAtomicCorrection (100.73646s) started
T12 << 1462264104.27148104 DistributedAtomicCorrection (101.13873s) stopped
T12 >> 1462264104.27152801 Distribute overlap matrix (1836.67509s) started
T12 >> 1462264104.27155590 blocked summation (1037.98705s) started
T12 << 1462264108.16728997 blocked summation (1041.88278s) stopped
T12 >> 1462264108.17712688 Scalapack redistribute (796.06033s) started
T12 << 1462264111.33734202 Scalapack redistribute (799.22054s) stopped
T12 << 1462264111.33745193 Distribute overlap matrix (1843.74101s) stopped
T12 >> 1462264111.34160399 Blacs Orbital Layouts (14241.42642s) started
T12 >> 1462264111.35019708 General diagonalize (14183.78452s) started
T12 << 1462264165.25954700 General diagonalize (14237.69387s) stopped
T12 >> 1462264165.25959301 Redistribute coefs (2.12548s) started
T12 << 1462264165.26678991 Redistribute coefs (2.13268s) stopped
T12 >> 1462264165.26688504 Send coefs to domains (53.15179s) started
T12 << 1462264165.51033211 Send coefs to domains (53.39524s) stopped
T12 << 1462264165.51080799 Blacs Orbital Layouts (14295.59562s) stopped
T12 >> 1462264165.51083589 Calculate projections (460.48215s) started
T12 << 1462264167.27868199 Calculate projections (462.24999s) stopped
T12 << 1462264167.27903605 LCAO eigensolver (16961.83809s) stopped
T12 >> 1462264170.45709610 Density (4114.09401s) started
T12 >> 1462264170.45711088 Pseudo density (3196.49449s) started
T12 >> 1462264170.45919299 Calculate density matrix (3004.17596s) started
T12 << 1462264182.36645889 Calculate density matrix (3016.08322s) stopped
T12 >> 1462264182.36650705 Construct density (187.22308s) started
T12 << 1462264183.11015105 Construct density (187.96672s) stopped
T12 >> 1462264183.12392092 Symmetrize density (0.02136s) started
T12 << 1462264183.12398291 Symmetrize density (0.02143s) stopped
T12 << 1462264183.12603402 Pseudo density (3209.16341s) stopped
T12 >> 1462264183.12609100 Atomic density matrices (805.47023s) started
T12 << 1462264186.43088603 Atomic density matrices (808.77503s) stopped
T12 >> 1462264186.43091798 Multipole moments (2.49573s) started
T12 << 1462264186.44249296 Multipole moments (2.50730s) stopped
T12 >> 1462264186.44252110 Normalize (1.73565s) started
T12 << 1462264186.44902802 Normalize (1.74215s) stopped
T12 >> 1462264186.44910407 Mix (107.87896s) started
T12 << 1462264186.88047409 Mix (108.31033s) stopped
T12 << 1462264186.88053298 Density (4130.51744s) stopped
T12 >> 1462264186.88056207 Hamiltonian (11543.53364s) started
T12 >> 1462264186.88057804 vbar (6.99676s) started
T12 << 1462264186.91103411 vbar (7.02721s) stopped
T12 >> 1462264186.91121602 XC 3D grid (7143.21332s) started
T12 >> 1462264187.39018106 van der Waals (6902.86996s) started
T12 >> 1462264187.49631310 semilocal (1453.79104s) started
T12 << 1462264193.22364497 semilocal (1459.51837s) stopped
T12 >> 1462264193.30664802 redistribute (740.52096s) started
T12 << 1462264194.37483692 redistribute (741.58914s) stopped
T12 >> 1462264194.37488198 libvdwxc nonlocal (4660.41926s) started
T12 << 1462264212.63228202 libvdwxc nonlocal (4678.67666s) stopped
T12 >> 1462264212.63234496 redistribute (741.58918s) started
T12 << 1462264214.33796692 redistribute (743.29480s) stopped
T12 << 1462264214.33918595 van der Waals (6929.81896s) stopped
T12 << 1462264214.79305291 XC 3D grid (7171.09515s) stopped
T12 >> 1462264214.79309297 Poisson (1670.61660s) started
T12 << 1462264217.68740201 Poisson (1673.51091s) stopped
T12 >> 1462264217.68746710 Hartree integrate/restrict (92.66219s) started
T12 << 1462264217.73108196 Hartree integrate/restrict (92.70580s) stopped
T12 >> 1462264217.73116899 Hartree integrate/restrict (92.70586s) started
T12 << 1462264218.05749798 Hartree integrate/restrict (93.03219s) stopped
T12 >> 1462264218.05773306 Atomic (599.33867s) started
T12 >> 1462264218.05952001 XC Correction (0.00836s) started
T12 << 1462264218.05953908 XC Correction (0.00838s) stopped
T12 << 1462264220.44862700 Atomic (601.72956s) stopped
T12 >> 1462264220.44871306 Communicate (2030.58877s) started
T12 << 1462264230.57649398 Communicate (2040.71656s) stopped
T12 << 1462264230.57653189 Hamiltonian (11587.22961s) stopped
T12 >> 1462264230.57655692 LCAO eigensolver (16961.83811s) started
T12 >> 1462264230.57657003 Potential matrix (257.79493s) started
T12 << 1462264231.52707791 Potential matrix (258.74544s) stopped
T12 >> 1462264231.52716708 DistributedAtomicCorrection (101.13877s) started
T12 << 1462264231.93006492 DistributedAtomicCorrection (101.54167s) stopped
T12 >> 1462264231.93011189 Distribute overlap matrix (1843.74102s) started
T12 >> 1462264231.93014193 blocked summation (1041.88282s) started
T12 << 1462264235.86166811 blocked summation (1045.81434s) stopped
T12 >> 1462264235.87168407 Scalapack redistribute (799.22060s) started
T12 << 1462264239.00496507 Scalapack redistribute (802.35388s) stopped
T12 << 1462264239.00506997 Distribute overlap matrix (1850.81598s) stopped
T12 >> 1462264239.00952601 Blacs Orbital Layouts (14295.59564s) started
T12 >> 1462264239.01821494 General diagonalize (14237.69391s) started
T12 << 1462264293.03712606 General diagonalize (14291.71282s) stopped
T12 >> 1462264293.03717709 Redistribute coefs (2.13276s) started
T12 << 1462264293.04422402 Redistribute coefs (2.13980s) stopped
T12 >> 1462264293.04431105 Send coefs to domains (53.39528s) started
T12 << 1462264293.15822601 Send coefs to domains (53.50919s) stopped
T12 << 1462264293.15859604 Blacs Orbital Layouts (14349.74471s) stopped
T12 >> 1462264293.15862298 Calculate projections (462.25005s) started
T12 << 1462264294.92751789 Calculate projections (464.01894s) stopped
T12 << 1462264294.92787409 LCAO eigensolver (17026.18942s) stopped
T12 << 1462264298.11644101 SCF-cycle (33602.58343s) stopped
T12 >> 1462264300.27811408 Force calculation (1190.88695s) started
T12 >> 1462264300.27818394 LCAO forces (1177.64760s) started
T12 >> 1462264300.27853703 Initial (0.00036s) started
T12 << 1462264300.27854800 Initial (0.00037s) stopped
T12 >> 1462264300.28476000 Get density matrix (623.41953s) started
T12 << 1462264309.42192292 Get density matrix (632.55669s) stopped
T12 >> 1462264309.42196488 Potential (94.72336s) started
T12 << 1462264315.37124896 Potential (100.67265s) stopped
T12 >> 1462264315.37130499 Get density matrix (632.55672s) started
T12 << 1462264345.68003702 Get density matrix (662.86546s) stopped
T12 >> 1462264345.68012810 Prepare TCI loop (33.03001s) started
T12 >> 1462264345.68066096 Get neighbors (30.15117s) started
T12 << 1462264347.50509810 Get neighbors (31.97561s) stopped
T12 >> 1462264347.50542808 broadcast dH (2.86152s) started
T12 << 1462264347.74023795 broadcast dH (3.09633s) stopped
T12 << 1462264347.74027896 Prepare TCI loop (35.09016s) stopped
T12 >> 1462264347.74029899 Not so complicated loop (1.84996s) started
T12 << 1462264347.85426688 Not so complicated loop (1.96392s) stopped
T12 >> 1462264347.96624994 Complicated loop (276.82008s) started
T12 << 1462264365.86371493 Complicated loop (294.71754s) stopped
T12 >> 1462264365.86464691 Wait for sum (145.88030s) started
T12 << 1462264375.48662996 Wait for sum (155.50228s) stopped
T12 << 1462264375.48666811 LCAO forces (1252.85608s) stopped
T12 << 1462264376.28873992 Force calculation (1266.89757s) stopped
T12 >> 1462264376.30678296 Initialization (1965.85850s) started
T12 << 1462264376.30695009 Initialization (1965.85867s) stopped
T12 >> 1462264376.30715704 Initialization (1965.85868s) started
T12 << 1462264376.30728793 Initialization (1965.85881s) stopped
T12 >> 1462264376.30742192 Initialization (1965.85883s) started
T12 << 1462264376.30754805 Initialization (1965.85895s) stopped
T12 >> 1462264396.65811706 Initialization (1965.85897s) started
T12 >> 1462264396.74930906 Basic WFS set positions (1.40106s) started
T12 >> 1462264396.74933505 Redistribute (0.00914s) started
T12 << 1462264396.74946904 Redistribute (0.00927s) stopped
T12 << 1462264396.83475709 Basic WFS set positions (1.48651s) stopped
T12 >> 1462264396.83478189 Basis functions set positions (28.36890s) started
T12 << 1462264398.61315107 Basis functions set positions (30.14727s) stopped
T12 >> 1462264398.61358809 TCI: Calculate S, T, P (242.23533s) started
T12 << 1462264413.49265599 TCI: Calculate S, T, P (257.11440s) stopped
T12 >> 1462264413.49271107 blocked summation (309.88861s) started
T12 << 1462264434.57918596 blocked summation (330.97509s) stopped
T12 >> 1462264434.58804703 Scalapack redistribute (116.10435s) started
T12 << 1462264441.57702398 Scalapack redistribute (123.09333s) stopped
T12 >> 1462264441.57804799 blocked summation (330.97514s) started
T12 << 1462264442.79952598 blocked summation (332.19662s) stopped
T12 >> 1462264442.80933499 Scalapack redistribute (123.09340s) started
T12 << 1462264443.00547409 Scalapack redistribute (123.28953s) stopped
T12 >> 1462264443.00738192 Redistribute (0.07290s) started
T12 << 1462264443.00789690 Redistribute (0.07342s) stopped
T12 >> 1462264444.67027211 Redistribute (0.07344s) started
T12 << 1462264444.67072701 Redistribute (0.07389s) stopped
T12 >> 1462264444.68561506 LCAO WFS Initialize (1232.48681s) started
T12 >> 1462264444.68568897 Density initialize from wavefunctions (226.37874s) started
T12 >> 1462264444.68928504 Calculate density matrix (157.93297s) started
T12 << 1462264454.49504495 Calculate density matrix (167.73873s) stopped
T12 >> 1462264454.49509192 Construct density (11.85759s) started
T12 << 1462264455.23764300 Construct density (12.60015s) stopped
T12 >> 1462264455.25188303 Symmetrize density (0.00129s) started
T12 << 1462264455.25193810 Symmetrize density (0.00135s) stopped
T12 << 1462264458.84979391 Density initialize from wavefunctions (240.54284s) stopped
T12 >> 1462264458.85008907 Hamiltonian (1005.19004s) started
T12 >> 1462264458.85010695 vbar (0.49420s) started
T12 << 1462264458.87739706 vbar (0.52149s) stopped
T12 >> 1462264458.87755704 XC 3D grid (490.15499s) started
T12 >> 1462264459.34831810 van der Waals (473.89675s) started
T12 >> 1462264459.45929003 semilocal (98.62738s) started
T12 << 1462264465.19886303 semilocal (104.36695s) stopped
T12 >> 1462264465.28267193 redistribute (57.36155s) started
T12 << 1462264466.31765103 redistribute (58.39652s) stopped
T12 >> 1462264466.31769490 libvdwxc nonlocal (314.64438s) started
T12 << 1462264484.64195800 libvdwxc nonlocal (332.96864s) stopped
T12 >> 1462264484.64201808 redistribute (58.39656s) started
T12 << 1462264486.34339190 redistribute (60.09793s) stopped
T12 << 1462264486.34451389 van der Waals (500.89295s) stopped
T12 << 1462264486.80437112 XC 3D grid (518.08180s) stopped
T12 >> 1462264486.80443001 Poisson (290.53410s) started
T12 << 1462264501.01924896 Poisson (304.74892s) stopped
T12 >> 1462264501.01937890 Hartree integrate/restrict (6.25759s) started
T12 << 1462264501.06477809 Hartree integrate/restrict (6.30299s) stopped
T12 >> 1462264501.06485701 Hartree integrate/restrict (6.30304s) started
T12 << 1462264501.42918396 Hartree integrate/restrict (6.66737s) stopped
T12 >> 1462264501.42931700 Atomic (39.86882s) started
T12 >> 1462264501.43117094 XC Correction (0.00069s) started
T12 << 1462264501.43118691 XC Correction (0.00071s) stopped
T12 << 1462264503.81077290 Atomic (42.25028s) stopped
T12 >> 1462264503.81094003 Communicate (177.84694s) started
T12 << 1462264517.10558510 Communicate (191.14159s) stopped
T12 << 1462264517.10562110 Hamiltonian (1063.44557s) stopped
T12 << 1462264517.10563493 LCAO WFS Initialize (1304.90683s) stopped
T12 << 1462264517.11773992 Initialization (2086.31860s) stopped
T12 >> 1462264517.14344692 SCF-cycle (33602.58345s) started
T12 >> 1462264517.14348102 LCAO eigensolver (17026.18944s) started
T12 >> 1462264517.14349389 Potential matrix (258.74550s) started
T12 << 1462264518.10128808 Potential matrix (259.70329s) stopped
T12 >> 1462264518.10135794 DistributedAtomicCorrection (101.54171s) started
T12 << 1462264518.48103309 DistributedAtomicCorrection (101.92138s) stopped
T12 >> 1462264518.48108006 Distribute overlap matrix (1850.81599s) started
T12 >> 1462264518.48110604 blocked summation (1045.81437s) started
T12 << 1462264522.68561506 blocked summation (1050.01888s) stopped
T12 >> 1462264522.69456601 Scalapack redistribute (802.35394s) started
T12 << 1462264525.88730597 Scalapack redistribute (805.54668s) stopped
T12 << 1462264525.88742089 Distribute overlap matrix (1858.22234s) stopped
T12 >> 1462264525.89134097 Blacs Orbital Layouts (14349.74473s) started
T12 >> 1462264525.89961290 General diagonalize (14291.71286s) started
T12 << 1462264581.87658501 General diagonalize (14347.68983s) stopped
T12 >> 1462264581.87663102 Redistribute coefs (2.13988s) started
T12 << 1462264581.88504791 Redistribute coefs (2.14829s) stopped
T12 >> 1462264581.88510990 Send coefs to domains (53.50922s) started
T12 << 1462264582.30479002 Send coefs to domains (53.92890s) stopped
T12 << 1462264582.30516291 Blacs Orbital Layouts (14406.15855s) stopped
T12 >> 1462264582.30519009 Calculate projections (464.01899s) started
T12 << 1462264584.07133198 Calculate projections (465.78513s) stopped
T12 << 1462264584.07151294 LCAO eigensolver (17093.11747s) stopped
T12 >> 1462264587.25099301 Density (4130.51746s) started
T12 >> 1462264587.25100899 Pseudo density (3209.16346s) started
T12 >> 1462264587.25408101 Calculate density matrix (3016.08326s) started
T12 << 1462264599.09483099 Calculate density matrix (3027.92401s) stopped
T12 >> 1462264599.09488010 Construct density (187.96677s) started
T12 << 1462264599.83797312 Construct density (188.70987s) stopped
T12 >> 1462264599.85174394 Symmetrize density (0.02144s) started
T12 << 1462264599.85181594 Symmetrize density (0.02152s) stopped
T12 << 1462264599.85378790 Pseudo density (3221.76624s) stopped
T12 >> 1462264599.85384703 Atomic density matrices (808.77505s) started
T12 << 1462264603.18603992 Atomic density matrices (812.10725s) stopped
T12 >> 1462264603.18607211 Multipole moments (2.50732s) started
T12 << 1462264603.19800210 Multipole moments (2.51925s) stopped
T12 >> 1462264603.19802403 Normalize (1.74221s) started
T12 << 1462264603.20428610 Normalize (1.74847s) stopped
T12 >> 1462264603.20433807 Mix (108.31038s) started
T12 << 1462264603.59019399 Mix (108.69624s) stopped
T12 << 1462264603.59024096 Density (4146.85670s) stopped
T12 >> 1462264603.59026408 Hamiltonian (11587.22962s) started
T12 >> 1462264603.59027910 vbar (7.02732s) started
T12 << 1462264603.61255097 vbar (7.04959s) stopped
T12 >> 1462264603.61266899 XC 3D grid (7171.09518s) started
T12 >> 1462264604.19377708 van der Waals (6929.81899s) started
T12 >> 1462264604.30389595 semilocal (1459.51849s) started
T12 << 1462264610.08718491 semilocal (1465.30178s) stopped
T12 >> 1462264610.16407704 redistribute (743.29484s) started
T12 << 1462264611.17977190 redistribute (744.31053s) stopped
T12 >> 1462264611.17981791 libvdwxc nonlocal (4678.67670s) started
T12 << 1462264630.07851911 libvdwxc nonlocal (4697.57541s) stopped
T12 >> 1462264630.07856393 redistribute (744.31057s) started
T12 << 1462264631.77526093 redistribute (746.00726s) stopped
T12 << 1462264631.77651405 van der Waals (6957.40173s) stopped
T12 << 1462264632.23709893 XC 3D grid (7199.71961s) stopped
T12 >> 1462264632.23715711 Poisson (1673.51096s) started
T12 << 1462264638.14075708 Poisson (1679.41456s) stopped
T12 >> 1462264638.14081502 Hartree integrate/restrict (93.03225s) started
T12 << 1462264638.19798303 Hartree integrate/restrict (93.08942s) stopped
T12 >> 1462264638.19803095 Hartree integrate/restrict (93.08945s) started
T12 << 1462264638.51185608 Hartree integrate/restrict (93.40328s) stopped
T12 >> 1462264638.51201606 Atomic (601.72958s) started
T12 >> 1462264638.51394606 XC Correction (0.00839s) started
T12 << 1462264638.51397109 XC Correction (0.00842s) stopped
T12 << 1462264640.92862105 Atomic (604.14619s) stopped
T12 >> 1462264640.92880392 Communicate (2040.71658s) started
T12 << 1462264654.08598804 Communicate (2053.87376s) stopped
T12 << 1462264654.08602500 Hamiltonian (11637.72538s) stopped
T12 >> 1462264654.08605003 LCAO eigensolver (17093.11749s) started
T12 >> 1462264654.08606195 Potential matrix (259.70333s) started
T12 << 1462264655.03708005 Potential matrix (260.65435s) stopped
T12 >> 1462264655.03715110 DistributedAtomicCorrection (101.92142s) started
T12 << 1462264655.42563796 DistributedAtomicCorrection (102.30991s) stopped
T12 >> 1462264655.42568398 Distribute overlap matrix (1858.22235s) started
T12 >> 1462264655.42571306 blocked summation (1050.01891s) started
T12 << 1462264659.57692695 blocked summation (1054.17013s) stopped
T12 >> 1462264659.58609009 Scalapack redistribute (805.54675s) started
T12 << 1462264662.69146204 Scalapack redistribute (808.65212s) stopped
T12 << 1462264662.69156408 Distribute overlap matrix (1865.48823s) stopped
T12 >> 1462264662.69549704 Blacs Orbital Layouts (14406.15857s) started
T12 >> 1462264662.70421004 General diagonalize (14347.68987s) started
T12 << 1462264713.92007899 General diagonalize (14398.90573s) stopped
T12 >> 1462264713.92012691 Redistribute coefs (2.14834s) started
T12 << 1462264713.92840695 Redistribute coefs (2.15662s) stopped
T12 >> 1462264713.92846990 Send coefs to domains (53.92894s) started
T12 << 1462264714.03303790 Send coefs to domains (54.03351s) stopped
T12 << 1462264714.03342795 Blacs Orbital Layouts (14457.49650s) stopped
T12 >> 1462264714.03345990 Calculate projections (465.78518s) started
T12 << 1462264715.79852509 Calculate projections (467.55025s) stopped
T12 << 1462264715.79871106 LCAO eigensolver (17154.83015s) stopped
T12 >> 1462264718.97177911 Density (4146.85672s) started
T12 >> 1462264718.97179890 Pseudo density (3221.76629s) started
T12 >> 1462264718.97418499 Calculate density matrix (3027.92404s) started
T12 << 1462264730.85996795 Calculate density matrix (3039.80982s) stopped
T12 >> 1462264730.86001801 Construct density (188.70992s) started
T12 << 1462264731.60505509 Construct density (189.45495s) stopped
T12 >> 1462264731.61923194 Symmetrize density (0.02154s) started
T12 << 1462264731.61930108 Symmetrize density (0.02160s) stopped
T12 << 1462264731.62128901 Pseudo density (3234.41578s) stopped
T12 >> 1462264731.62134790 Atomic density matrices (812.10727s) started
T12 << 1462264734.90999007 Atomic density matrices (815.39591s) stopped
T12 >> 1462264734.91002202 Multipole moments (2.51926s) started
T12 << 1462264734.92195296 Multipole moments (2.53119s) stopped
T12 >> 1462264734.92197704 Normalize (1.74851s) started
T12 << 1462264734.92821002 Normalize (1.75474s) stopped
T12 >> 1462264734.92825890 Mix (108.69629s) started
T12 << 1462264735.29423690 Mix (109.06227s) stopped
T12 << 1462264735.29428005 Density (4163.17922s) stopped
T12 >> 1462264735.29430389 Hamiltonian (11637.72539s) started
T12 >> 1462264735.29431796 vbar (7.04966s) started
T12 << 1462264735.32070899 vbar (7.07605s) stopped
T12 >> 1462264735.32085299 XC 3D grid (7199.71966s) started
T12 >> 1462264735.82178807 van der Waals (6957.40176s) started
T12 >> 1462264735.92935205 semilocal (1465.30191s) started
T12 << 1462264741.66252398 semilocal (1471.03509s) stopped
T12 >> 1462264741.74116993 redistribute (746.00730s) started
T12 << 1462264742.78272009 redistribute (747.04885s) stopped
T12 >> 1462264742.78278708 libvdwxc nonlocal (4697.57544s) started
T12 << 1462264761.75592589 libvdwxc nonlocal (4716.54858s) stopped
T12 >> 1462264761.75598311 redistribute (747.04890s) started
T12 << 1462264763.42438293 redistribute (748.71730s) stopped
T12 << 1462264763.42560697 van der Waals (6985.00558s) stopped
T12 << 1462264763.88404298 XC 3D grid (7228.28285s) stopped
T12 >> 1462264763.88409495 Poisson (1679.41461s) started
T12 << 1462264777.31067705 Poisson (1692.84119s) stopped
T12 >> 1462264777.31079507 Hartree integrate/restrict (93.40333s) started
T12 << 1462264777.36540294 Hartree integrate/restrict (93.45793s) stopped
T12 >> 1462264777.36552501 Hartree integrate/restrict (93.45802s) started
T12 << 1462264777.67762589 Hartree integrate/restrict (93.77012s) stopped
T12 >> 1462264777.67782807 Atomic (604.14621s) started
T12 >> 1462264777.67957211 XC Correction (0.00843s) started
T12 << 1462264777.67958808 XC Correction (0.00845s) stopped
T12 << 1462264780.09826493 Atomic (606.56665s) stopped
T12 >> 1462264780.09843111 Communicate (2053.87379s) started
T12 << 1462264793.01562595 Communicate (2066.79098s) stopped
T12 << 1462264793.01566195 Hamiltonian (11695.44675s) stopped
T12 >> 1462264793.01568699 LCAO eigensolver (17154.83017s) started
T12 >> 1462264793.01570010 Potential matrix (260.65439s) started
T12 << 1462264793.96976399 Potential matrix (261.60846s) stopped
T12 >> 1462264793.96983790 DistributedAtomicCorrection (102.30994s) started
T12 << 1462264794.35644293 DistributedAtomicCorrection (102.69655s) stopped
T12 >> 1462264794.35648894 Distribute overlap matrix (1865.48824s) started
T12 >> 1462264794.35651708 blocked summation (1054.17016s) started
T12 << 1462264798.44819593 blocked summation (1058.26184s) stopped
T12 >> 1462264798.45759392 Scalapack redistribute (808.65218s) started
T12 << 1462264801.42192411 Scalapack redistribute (811.61651s) stopped
T12 << 1462264801.42200089 Distribute overlap matrix (1872.55375s) stopped
T12 >> 1462264801.42655993 Blacs Orbital Layouts (14457.49652s) started
T12 >> 1462264801.43550491 General diagonalize (14398.90577s) started
T12 << 1462264852.43721199 General diagonalize (14449.90748s) stopped
T12 >> 1462264852.43725610 Redistribute coefs (2.15667s) started
T12 << 1462264852.44559312 Redistribute coefs (2.16501s) stopped
T12 >> 1462264852.44565797 Send coefs to domains (54.03354s) started
T12 << 1462264852.54031110 Send coefs to domains (54.12819s) stopped
T12 << 1462264852.54066396 Blacs Orbital Layouts (14508.61062s) stopped
T12 >> 1462264852.54069090 Calculate projections (467.55029s) started
T12 << 1462264854.30771589 Calculate projections (469.31732s) stopped
T12 << 1462264854.30790591 LCAO eigensolver (17216.12239s) stopped
T12 >> 1462264857.47916198 Density (4163.17923s) started
T12 >> 1462264857.47917795 Pseudo density (3234.41582s) started
T12 >> 1462264857.48093390 Calculate density matrix (3039.80986s) started
T12 << 1462264869.35389590 Calculate density matrix (3051.68282s) stopped
T12 >> 1462264869.35394406 Construct density (189.45500s) started
T12 << 1462264870.09823394 Construct density (190.19929s) stopped
T12 >> 1462264870.11226702 Symmetrize density (0.02162s) started
T12 << 1462264870.11232400 Symmetrize density (0.02168s) stopped
T12 << 1462264870.11431909 Pseudo density (3247.05097s) stopped
T12 >> 1462264870.11437798 Atomic density matrices (815.39594s) started
T12 << 1462264873.44371295 Atomic density matrices (818.72527s) stopped
T12 >> 1462264873.44374609 Multipole moments (2.53121s) started
T12 << 1462264873.45553303 Multipole moments (2.54300s) stopped
T12 >> 1462264873.45555806 Normalize (1.75478s) started
T12 << 1462264873.46202207 Normalize (1.76124s) stopped
T12 >> 1462264873.46211290 Mix (109.06231s) started
T12 << 1462264873.82893109 Mix (109.42913s) stopped
T12 << 1462264873.82897305 Density (4179.52904s) stopped
T12 >> 1462264873.82899499 Hamiltonian (11695.44676s) started
T12 >> 1462264873.82900810 vbar (7.07614s) started
T12 << 1462264873.85062194 vbar (7.09775s) stopped
T12 >> 1462264873.85071993 XC 3D grid (7228.28289s) started
T12 >> 1462264874.40992093 van der Waals (6985.00560s) started
T12 >> 1462264874.51884389 semilocal (1471.03520s) started
T12 << 1462264880.33276296 semilocal (1476.84912s) stopped
T12 >> 1462264880.41431403 redistribute (748.71735s) started
T12 << 1462264881.38441992 redistribute (749.68746s) stopped
T12 >> 1462264881.38446307 libvdwxc nonlocal (4716.54862s) started
T12 << 1462264900.00445294 libvdwxc nonlocal (4735.16861s) stopped
T12 >> 1462264900.00449491 redistribute (749.68749s) started
T12 << 1462264901.71202588 redistribute (751.39502s) stopped
T12 << 1462264901.71293497 van der Waals (7012.30862s) stopped
T12 << 1462264902.16876793 XC 3D grid (7256.60094s) stopped
T12 >> 1462264902.16883302 Poisson (1692.84128s) started
T12 << 1462264907.96785212 Poisson (1698.64030s) stopped
T12 >> 1462264907.96797991 Hartree integrate/restrict (93.77020s) started
T12 << 1462264908.01639390 Hartree integrate/restrict (93.81862s) stopped
T12 >> 1462264908.01650000 Hartree integrate/restrict (93.81869s) started
T12 << 1462264908.32782102 Hartree integrate/restrict (94.13001s) stopped
T12 >> 1462264908.32799101 Atomic (606.56668s) started
T12 >> 1462264908.32962608 XC Correction (0.00846s) started
T12 << 1462264908.32964110 XC Correction (0.00847s) stopped
T12 << 1462264910.74547100 Atomic (608.98416s) stopped
T12 >> 1462264910.74562311 Communicate (2066.79101s) started
T12 << 1462264922.79845810 Communicate (2078.84384s) stopped
T12 << 1462264922.79849505 Hamiltonian (11744.41626s) stopped
T12 >> 1462264922.79852009 LCAO eigensolver (17216.12241s) started
T12 >> 1462264922.79853296 Potential matrix (261.60850s) started
T12 << 1462264923.74363208 Potential matrix (262.55360s) stopped
T12 >> 1462264923.74371696 DistributedAtomicCorrection (102.69659s) started
T12 << 1462264924.13200212 DistributedAtomicCorrection (103.08487s) stopped
T12 >> 1462264924.13204908 Distribute overlap matrix (1872.55377s) started
T12 >> 1462264924.13207793 blocked summation (1058.26188s) started
T12 << 1462264928.07135105 blocked summation (1062.20116s) stopped
T12 >> 1462264928.08151698 Scalapack redistribute (811.61654s) started
T12 << 1462264931.20635295 Scalapack redistribute (814.74138s) stopped
T12 << 1462264931.20645905 Distribute overlap matrix (1879.62818s) stopped
T12 >> 1462264931.21079493 Blacs Orbital Layouts (14508.61065s) started
T12 >> 1462264931.21964097 General diagonalize (14449.90752s) started
T12 << 1462264985.42475700 General diagonalize (14504.11263s) stopped
T12 >> 1462264985.42483306 Redistribute coefs (2.16506s) started
T12 << 1462264985.43318510 Redistribute coefs (2.17342s) stopped
T12 >> 1462264985.43322802 Send coefs to domains (54.12823s) started
T12 << 1462264985.56592798 Send coefs to domains (54.26093s) stopped
T12 << 1462264985.56632304 Blacs Orbital Layouts (14562.96617s) stopped
T12 >> 1462264985.56635094 Calculate projections (469.31737s) started
T12 << 1462264987.33081889 Calculate projections (471.08184s) stopped
T12 << 1462264987.33119702 LCAO eigensolver (17280.65509s) stopped
T12 >> 1462264990.54381299 Density (4179.52905s) started
T12 >> 1462264990.54382896 Pseudo density (3247.05101s) started
T12 >> 1462264990.54626608 Calculate density matrix (3051.68285s) started
T12 << 1462265002.45568705 Calculate density matrix (3063.59227s) stopped
T12 >> 1462265002.45573592 Construct density (190.19934s) started
T12 << 1462265003.19963908 Construct density (190.94324s) stopped
T12 >> 1462265003.21358705 Symmetrize density (0.02169s) started
T12 << 1462265003.21364403 Symmetrize density (0.02175s) stopped
T12 << 1462265003.21563506 Pseudo density (3259.72282s) stopped
T12 >> 1462265003.21569490 Atomic density matrices (818.72530s) started
T12 << 1462265006.55712700 Atomic density matrices (822.06673s) stopped
T12 >> 1462265006.55715895 Multipole moments (2.54302s) started
T12 << 1462265006.56898499 Multipole moments (2.55484s) stopped
T12 >> 1462265006.56901503 Normalize (1.76132s) started
T12 << 1462265006.57516193 Normalize (1.76746s) stopped
T12 >> 1462265006.57521105 Mix (109.42917s) started
T12 << 1462265007.00871205 Mix (109.86267s) stopped
T12 << 1462265007.00875497 Density (4195.99399s) stopped
T12 >> 1462265007.00877810 Hamiltonian (11744.41628s) started
T12 >> 1462265007.00879693 vbar (7.09782s) started
T12 << 1462265007.02998805 vbar (7.11901s) stopped
T12 >> 1462265007.03013992 XC 3D grid (7256.60100s) started
T12 >> 1462265007.52155495 van der Waals (7012.30864s) started
T12 >> 1462265007.62910008 semilocal (1476.84922s) started
T12 << 1462265013.37671494 semilocal (1482.59684s) stopped
T12 >> 1462265013.45420003 redistribute (751.39507s) started
T12 << 1462265014.49652410 redistribute (752.43739s) stopped
T12 >> 1462265014.49658799 libvdwxc nonlocal (4735.16864s) started
T12 << 1462265032.73887897 libvdwxc nonlocal (4753.41094s) stopped
T12 >> 1462265032.73894811 redistribute (752.43745s) started
T12 << 1462265034.47358608 redistribute (754.17208s) stopped
T12 << 1462265034.47455597 van der Waals (7039.26165s) stopped
T12 << 1462265034.93535304 XC 3D grid (7284.50621s) stopped
T12 >> 1462265034.93539405 Poisson (1698.64041s) started
T12 << 1462265040.65003395 Poisson (1704.35505s) stopped
T12 >> 1462265040.65010095 Hartree integrate/restrict (94.13006s) started
T12 << 1462265040.69402909 Hartree integrate/restrict (94.17399s) stopped
T12 >> 1462265040.69409609 Hartree integrate/restrict (94.17404s) started
T12 << 1462265041.02951598 Hartree integrate/restrict (94.50946s) stopped
T12 >> 1462265041.02968097 Atomic (608.98418s) started
T12 >> 1462265041.03136992 XC Correction (0.00848s) started
T12 << 1462265041.03139091 XC Correction (0.00850s) stopped
T12 << 1462265043.43742299 Atomic (611.39192s) stopped
T12 >> 1462265043.43757010 Communicate (2078.84387s) started
T12 << 1462265054.44458604 Communicate (2089.85088s) stopped
T12 << 1462265054.44461703 Hamiltonian (11791.85212s) stopped
T12 >> 1462265054.44463992 LCAO eigensolver (17280.65511s) started
T12 >> 1462265054.44465303 Potential matrix (262.55365s) started
T12 << 1462265055.40266705 Potential matrix (263.51167s) stopped
T12 >> 1462265055.40275407 DistributedAtomicCorrection (103.08491s) started
T12 << 1462265055.79068494 DistributedAtomicCorrection (103.47284s) stopped
T12 >> 1462265055.79073191 Distribute overlap matrix (1879.62819s) started
T12 >> 1462265055.79076004 blocked summation (1062.20119s) started
T12 << 1462265059.79204011 blocked summation (1066.20247s) stopped
T12 >> 1462265059.80175209 Scalapack redistribute (814.74144s) started
T12 << 1462265062.86939001 Scalapack redistribute (817.80907s) stopped
T12 << 1462265062.86947393 Distribute overlap matrix (1886.70693s) stopped
T12 >> 1462265062.87412190 Blacs Orbital Layouts (14562.96619s) started
T12 >> 1462265062.88345695 General diagonalize (14504.11269s) started
T12 << 1462265116.85838103 General diagonalize (14558.08762s) stopped
T12 >> 1462265116.85846090 Redistribute coefs (2.17345s) started
T12 << 1462265116.86699200 Redistribute coefs (2.18198s) stopped
T12 >> 1462265116.86703491 Send coefs to domains (54.26096s) started
T12 << 1462265116.99951696 Send coefs to domains (54.39344s) stopped
T12 << 1462265117.00010109 Blacs Orbital Layouts (14617.09217s) stopped
T12 >> 1462265117.00012803 Calculate projections (471.08189s) started
T12 << 1462265118.76523209 Calculate projections (472.84700s) stopped
T12 << 1462265118.76558304 LCAO eigensolver (17344.97605s) stopped
T12 >> 1462265121.97035909 Density (4195.99401s) started
T12 >> 1462265121.97037411 Pseudo density (3259.72287s) started
T12 >> 1462265121.97285509 Calculate density matrix (3063.59231s) started
T12 << 1462265134.18038607 Calculate density matrix (3075.79984s) stopped
T12 >> 1462265134.18043399 Construct density (190.94329s) started
T12 << 1462265134.92462206 Construct density (191.68748s) stopped
T12 >> 1462265134.93943906 Symmetrize density (0.02177s) started
T12 << 1462265134.93950701 Symmetrize density (0.02183s) stopped
T12 << 1462265134.94149590 Pseudo density (3272.69399s) stopped
T12 >> 1462265134.94155502 Atomic density matrices (822.06675s) started
T12 << 1462265138.24124503 Atomic density matrices (825.36644s) stopped
T12 >> 1462265138.24127698 Multipole moments (2.55486s) started
T12 << 1462265138.25310111 Multipole moments (2.56668s) stopped
T12 >> 1462265138.25313091 Normalize (1.76750s) started
T12 << 1462265138.25937295 Normalize (1.77374s) stopped
T12 >> 1462265138.25942206 Mix (109.86271s) started
T12 << 1462265138.72830296 Mix (110.33159s) stopped
T12 << 1462265138.72834706 Density (4212.75199s) stopped
T12 >> 1462265138.72837210 Hamiltonian (11791.85213s) started
T12 >> 1462265138.72838712 vbar (7.11909s) started
T12 << 1462265138.75311494 vbar (7.14382s) stopped
T12 >> 1462265138.75323296 XC 3D grid (7284.50624s) started
T12 >> 1462265139.25090694 van der Waals (7039.26167s) started
T12 >> 1462265139.36019897 semilocal (1482.59698s) started
T12 << 1462265145.08805490 semilocal (1488.32484s) stopped
T12 >> 1462265145.16820502 redistribute (754.17213s) started
T12 << 1462265146.22306395 redistribute (755.22699s) stopped
T12 >> 1462265146.22310710 libvdwxc nonlocal (4753.41099s) started
T12 << 1462265164.83002901 libvdwxc nonlocal (4772.01791s) stopped
T12 >> 1462265164.83009291 redistribute (755.22702s) started
T12 << 1462265166.54928589 redistribute (756.94622s) stopped
T12 << 1462265166.55050707 van der Waals (7066.56127s) stopped
T12 << 1462265167.00561810 XC 3D grid (7312.75862s) stopped
T12 >> 1462265167.00566006 Poisson (1704.35510s) started
T12 << 1462265172.79996705 Poisson (1710.14940s) stopped
T12 >> 1462265172.80003810 Hartree integrate/restrict (94.50951s) started
T12 << 1462265172.85021591 Hartree integrate/restrict (94.55969s) stopped
T12 >> 1462265172.85029411 Hartree integrate/restrict (94.55974s) started
T12 << 1462265173.14985108 Hartree integrate/restrict (94.85930s) stopped
T12 >> 1462265173.15003490 Atomic (611.39194s) started
T12 >> 1462265173.15175700 XC Correction (0.00851s) started
T12 << 1462265173.15177393 XC Correction (0.00853s) stopped
T12 << 1462265175.57258201 Atomic (613.81449s) stopped
T12 >> 1462265175.57272601 Communicate (2089.85090s) started
T12 << 1462265186.49899602 Communicate (2100.77717s) stopped
T12 << 1462265186.49903297 Hamiltonian (11839.62279s) stopped
T12 >> 1462265186.49905801 LCAO eigensolver (17344.97607s) started
T12 >> 1462265186.49907088 Potential matrix (263.51172s) started
T12 << 1462265187.45284295 Potential matrix (264.46549s) stopped
T12 >> 1462265187.45291400 DistributedAtomicCorrection (103.47288s) started
T12 << 1462265187.84661698 DistributedAtomicCorrection (103.86658s) stopped
T12 >> 1462265187.84667611 Distribute overlap matrix (1886.70694s) started
T12 >> 1462265187.84669805 blocked summation (1066.20250s) started
T12 << 1462265191.74963188 blocked summation (1070.10543s) stopped
T12 >> 1462265191.75998998 Scalapack redistribute (817.80911s) started
T12 << 1462265194.88158894 Scalapack redistribute (820.93071s) stopped
T12 << 1462265194.88169694 Distribute overlap matrix (1893.74196s) stopped
T12 >> 1462265194.88586903 Blacs Orbital Layouts (14617.09219s) started
T12 >> 1462265194.89457989 General diagonalize (14558.08769s) started
T12 << 1462265248.70848703 General diagonalize (14611.90159s) stopped
T12 >> 1462265248.70853901 Redistribute coefs (2.18201s) started
T12 << 1462265248.71761298 Redistribute coefs (2.19109s) stopped
T12 >> 1462265248.71766305 Send coefs to domains (54.39347s) started
T12 << 1462265248.83599997 Send coefs to domains (54.51181s) stopped
T12 << 1462265248.83645701 Blacs Orbital Layouts (14671.04278s) stopped
T12 >> 1462265248.83648705 Calculate projections (472.84705s) started
T12 << 1462265250.61543798 Calculate projections (474.62600s) stopped
T12 << 1462265250.61589909 LCAO eigensolver (17409.09291s) stopped
T12 >> 1462265253.77720094 Density (4212.75201s) started
T12 >> 1462265253.77721691 Pseudo density (3272.69404s) started
T12 >> 1462265253.78053904 Calculate density matrix (3075.79987s) started
T12 << 1462265265.75487494 Calculate density matrix (3087.77421s) stopped
T12 >> 1462265265.75493002 Construct density (191.68753s) started
T12 << 1462265266.49692893 Construct density (192.42953s) stopped
T12 >> 1462265266.51380110 Symmetrize density (0.02185s) started
T12 << 1462265266.51388407 Symmetrize density (0.02194s) stopped
T12 << 1462265266.51635098 Pseudo density (3285.43317s) stopped
T12 >> 1462265266.51641798 Atomic density matrices (825.36647s) started
T12 << 1462265269.87237906 Atomic density matrices (828.72243s) stopped
T12 >> 1462265269.87241602 Multipole moments (2.56670s) started
T12 << 1462265269.88417292 Multipole moments (2.57846s) stopped
T12 >> 1462265269.88420391 Normalize (1.77377s) started
T12 << 1462265269.89103389 Normalize (1.78060s) stopped
T12 >> 1462265269.89107704 Mix (110.33163s) started
T12 << 1462265270.32382703 Mix (110.76438s) stopped
T12 << 1462265270.32387996 Density (4229.29869s) stopped
T12 >> 1462265270.32390690 Hamiltonian (11839.62280s) started
T12 >> 1462265270.32392192 vbar (7.14389s) started
T12 << 1462265270.35827088 vbar (7.17824s) stopped
T12 >> 1462265270.35842299 XC 3D grid (7312.75866s) started
T12 >> 1462265270.83667493 van der Waals (7066.56129s) started
T12 >> 1462265270.94979310 semilocal (1488.32495s) started
T12 << 1462265276.72135496 semilocal (1494.09651s) stopped
T12 >> 1462265276.79611111 redistribute (756.94625s) started
T12 << 1462265277.81562996 redistribute (757.96577s) stopped
T12 >> 1462265277.81567788 libvdwxc nonlocal (4772.01796s) started
T12 << 1462265296.12799406 libvdwxc nonlocal (4790.33027s) stopped
T12 >> 1462265296.12807989 redistribute (757.96581s) started
T12 << 1462265298.20614910 redistribute (760.04388s) stopped
T12 << 1462265298.20739198 van der Waals (7093.93201s) stopped
T12 << 1462265298.66415596 XC 3D grid (7341.06439s) stopped
T12 >> 1462265298.66420102 Poisson (1710.14945s) started
T12 << 1462265304.42602897 Poisson (1715.91128s) stopped
T12 >> 1462265304.42617106 Hartree integrate/restrict (94.85936s) started
T12 << 1462265304.46337008 Hartree integrate/restrict (94.89656s) stopped
T12 >> 1462265304.46356010 Hartree integrate/restrict (94.89668s) started
T12 << 1462265304.79319501 Hartree integrate/restrict (95.22632s) stopped
T12 >> 1462265304.79338288 Atomic (613.81452s) started
T12 >> 1462265304.79520106 XC Correction (0.00854s) started
T12 << 1462265304.79521894 XC Correction (0.00856s) stopped
T12 << 1462265307.20670509 Atomic (616.22784s) stopped
T12 >> 1462265307.20684505 Communicate (2100.77720s) started
T12 << 1462265318.13202095 Communicate (2111.70237s) stopped
T12 << 1462265318.13204789 Hamiltonian (11887.43094s) stopped
T12 >> 1462265318.13206911 LCAO eigensolver (17409.09293s) started
T12 >> 1462265318.13208294 Potential matrix (264.46553s) started
T12 << 1462265319.07611895 Potential matrix (265.40957s) stopped
T12 >> 1462265319.07621503 DistributedAtomicCorrection (103.86662s) started
T12 << 1462265319.46783805 DistributedAtomicCorrection (104.25825s) stopped
T12 >> 1462265319.46789908 Distribute overlap matrix (1893.74198s) started
T12 >> 1462265319.46792412 blocked summation (1070.10546s) started
T12 << 1462265323.41085100 blocked summation (1074.04839s) stopped
T12 >> 1462265323.42003298 Scalapack redistribute (820.93077s) started
T12 << 1462265326.50400400 Scalapack redistribute (824.01474s) stopped
T12 << 1462265326.50412893 Distribute overlap matrix (1900.77821s) stopped
T12 >> 1462265326.50869799 Blacs Orbital Layouts (14671.04280s) started
T12 >> 1462265326.51819491 General diagonalize (14611.90163s) started
T12 << 1462265380.96463108 General diagonalize (14666.34807s) stopped
T12 >> 1462265380.96468496 Redistribute coefs (2.19113s) started
T12 << 1462265380.97346497 Redistribute coefs (2.19991s) stopped
T12 >> 1462265380.97351408 Send coefs to domains (54.51185s) started
T12 << 1462265381.16607404 Send coefs to domains (54.70441s) stopped
T12 << 1462265381.16659904 Blacs Orbital Layouts (14725.70070s) stopped
T12 >> 1462265381.16662788 Calculate projections (474.62606s) started
T12 << 1462265382.94613290 Calculate projections (476.40556s) stopped
T12 << 1462265382.94634509 LCAO eigensolver (17473.90720s) stopped
T12 >> 1462265386.10733604 Density (4229.29870s) started
T12 >> 1462265386.10735202 Pseudo density (3285.43323s) started
T12 >> 1462265386.11056304 Calculate density matrix (3087.77424s) started
T12 << 1462265398.01746106 Calculate density matrix (3099.68114s) stopped
T12 >> 1462265398.01751804 Construct density (192.42959s) started
T12 << 1462265398.76055503 Construct density (193.17263s) stopped
T12 >> 1462265398.77700806 Symmetrize density (0.02196s) started
T12 << 1462265398.77707505 Symmetrize density (0.02202s) stopped
T12 << 1462265398.77949500 Pseudo density (3298.10537s) stopped
T12 >> 1462265398.77956104 Atomic density matrices (828.72246s) started
T12 << 1462265402.08882594 Atomic density matrices (832.03172s) stopped
T12 >> 1462265402.08886409 Multipole moments (2.57847s) started
T12 << 1462265402.10056496 Multipole moments (2.59017s) stopped
T12 >> 1462265402.10059500 Normalize (1.78063s) started
T12 << 1462265402.10738492 Normalize (1.78742s) stopped
T12 >> 1462265402.10742688 Mix (110.76443s) started
T12 << 1462265402.56264496 Mix (111.21965s) stopped
T12 << 1462265402.56270003 Density (4245.75406s) stopped
T12 >> 1462265402.56272697 Hamiltonian (11887.43095s) started
T12 >> 1462265402.56274104 vbar (7.17832s) started
T12 << 1462265402.58494592 vbar (7.20053s) stopped
T12 >> 1462265402.58507991 XC 3D grid (7341.06443s) started
T12 >> 1462265403.09487700 van der Waals (7093.93205s) started
T12 >> 1462265403.21031904 semilocal (1494.09659s) started
T12 << 1462265409.02327490 semilocal (1499.90954s) stopped
T12 >> 1462265409.09792304 redistribute (760.04391s) started
T12 << 1462265410.09011507 redistribute (761.03611s) stopped
T12 >> 1462265410.09016490 libvdwxc nonlocal (4790.33034s) started
T12 << 1462265428.02684999 libvdwxc nonlocal (4808.26702s) stopped
T12 >> 1462265428.02693295 redistribute (761.03614s) started
T12 << 1462265430.13759398 redistribute (763.14681s) stopped
T12 << 1462265430.13879800 van der Waals (7120.97597s) stopped
T12 << 1462265430.59791803 XC 3D grid (7369.07726s) stopped
T12 >> 1462265430.59796596 Poisson (1715.91139s) started
T12 << 1462265434.89115906 Poisson (1720.20459s) stopped
T12 >> 1462265434.89124703 Hartree integrate/restrict (95.22637s) started
T12 << 1462265434.92901611 Hartree integrate/restrict (95.26414s) stopped
T12 >> 1462265434.92911792 Hartree integrate/restrict (95.26420s) started
T12 << 1462265435.25602889 Hartree integrate/restrict (95.59111s) stopped
T12 >> 1462265435.25618291 Atomic (616.22786s) started
T12 >> 1462265435.25790310 XC Correction (0.00857s) started
T12 << 1462265435.25791788 XC Correction (0.00859s) stopped
T12 << 1462265437.66513610 Atomic (618.63682s) stopped
T12 >> 1462265437.66525793 Communicate (2111.70239s) started
T12 << 1462265448.59758592 Communicate (2122.63472s) stopped
T12 << 1462265448.59762096 Hamiltonian (11933.46585s) stopped
T12 >> 1462265448.59764695 LCAO eigensolver (17473.90722s) started
T12 >> 1462265448.59766102 Potential matrix (265.40963s) started
T12 << 1462265449.54958892 Potential matrix (266.36155s) stopped
T12 >> 1462265449.54967093 DistributedAtomicCorrection (104.25828s) started
T12 << 1462265449.94150710 DistributedAtomicCorrection (104.65012s) stopped
T12 >> 1462265449.94156790 Distribute overlap matrix (1900.77822s) started
T12 >> 1462265449.94159198 blocked summation (1074.04843s) started
T12 << 1462265453.92259002 blocked summation (1078.02942s) stopped
T12 >> 1462265453.93266892 Scalapack redistribute (824.01480s) started
T12 << 1462265456.93345189 Scalapack redistribute (827.01559s) stopped
T12 << 1462265456.93357301 Distribute overlap matrix (1907.77023s) stopped
T12 >> 1462265456.93799806 Blacs Orbital Layouts (14725.70072s) started
T12 >> 1462265456.94691491 General diagonalize (14666.34812s) started
T12 << 1462265508.39292407 General diagonalize (14717.79412s) stopped
T12 >> 1462265508.39298105 Redistribute coefs (2.19994s) started
T12 << 1462265508.40139699 Redistribute coefs (2.20836s) stopped
T12 >> 1462265508.40144491 Send coefs to domains (54.70445s) started
T12 << 1462265508.50171709 Send coefs to domains (54.80472s) stopped
T12 << 1462265508.50212693 Blacs Orbital Layouts (14777.26485s) stopped
T12 >> 1462265508.50215602 Calculate projections (476.40562s) started
T12 << 1462265510.28143406 Calculate projections (478.18490s) stopped
T12 << 1462265510.28164291 LCAO eigensolver (17535.59122s) stopped
T12 >> 1462265513.44307590 Density (4245.75407s) started
T12 >> 1462265513.44309211 Pseudo density (3298.10542s) started
T12 >> 1462265513.44630289 Calculate density matrix (3099.68118s) started
T12 << 1462265525.35254407 Calculate density matrix (3111.58742s) stopped
T12 >> 1462265525.35260201 Construct density (193.17268s) started
T12 << 1462265526.09672999 Construct density (193.91681s) stopped
T12 >> 1462265526.11292195 Symmetrize density (0.02204s) started
T12 << 1462265526.11298800 Symmetrize density (0.02211s) stopped
T12 << 1462265526.11541700 Pseudo density (3310.77775s) stopped
T12 >> 1462265526.11548305 Atomic density matrices (832.03175s) started
T12 << 1462265529.34478903 Atomic density matrices (835.26106s) stopped
T12 >> 1462265529.34483004 Multipole moments (2.59019s) started
T12 << 1462265529.35657406 Multipole moments (2.60193s) stopped
T12 >> 1462265529.35660505 Normalize (1.78746s) started
T12 << 1462265529.36340404 Normalize (1.79426s) stopped
T12 >> 1462265529.36344910 Mix (111.21971s) started
T12 << 1462265529.80069208 Mix (111.65695s) stopped
T12 << 1462265529.80072808 Density (4262.11173s) stopped
T12 >> 1462265529.80075407 Hamiltonian (11933.46586s) started
T12 >> 1462265529.80076909 vbar (7.20061s) started
T12 << 1462265529.82569695 vbar (7.22554s) stopped
T12 >> 1462265529.82584310 XC 3D grid (7369.07730s) started
T12 >> 1462265530.32438302 van der Waals (7120.97601s) started
T12 >> 1462265530.43873906 semilocal (1499.90960s) started
T12 << 1462265536.23592806 semilocal (1505.70679s) stopped
T12 >> 1462265536.31020808 redistribute (763.14685s) started
T12 << 1462265537.31425500 redistribute (764.15089s) stopped
T12 >> 1462265537.31430507 libvdwxc nonlocal (4808.26709s) started
T12 << 1462265555.21002197 libvdwxc nonlocal (4826.16280s) stopped
T12 >> 1462265555.21010399 redistribute (764.15093s) started
T12 << 1462265557.34935594 redistribute (766.29018s) stopped
T12 << 1462265557.35069203 van der Waals (7148.00232s) stopped
T12 << 1462265557.80333209 XC 3D grid (7397.05479s) stopped
T12 >> 1462265557.80339098 Poisson (1720.20465s) started
T12 << 1462265562.09852099 Poisson (1724.49978s) stopped
T12 >> 1462265562.09860492 Hartree integrate/restrict (95.59115s) started
T12 << 1462265562.13647604 Hartree integrate/restrict (95.62902s) stopped
T12 >> 1462265562.13655996 Hartree integrate/restrict (95.62908s) started
T12 << 1462265562.46008706 Hartree integrate/restrict (95.95260s) stopped
T12 >> 1462265562.46027589 Atomic (618.63684s) started
T12 >> 1462265562.46203303 XC Correction (0.00860s) started
T12 << 1462265562.46205091 XC Correction (0.00862s) stopped
T12 << 1462265564.88300610 Atomic (621.05957s) stopped
T12 >> 1462265564.88311100 Communicate (2122.63474s) started
T12 << 1462265575.76139903 Communicate (2133.51303s) stopped
T12 << 1462265575.76143599 Hamiltonian (11979.42654s) stopped
T12 >> 1462265575.76146102 LCAO eigensolver (17535.59124s) started
T12 >> 1462265575.76147509 Potential matrix (266.36160s) started
T12 << 1462265576.70991611 Potential matrix (267.31004s) stopped
T12 >> 1462265576.70999694 DistributedAtomicCorrection (104.65016s) started
T12 << 1462265577.10250902 DistributedAtomicCorrection (105.04267s) stopped
T12 >> 1462265577.10257006 Distribute overlap matrix (1907.77024s) started
T12 >> 1462265577.10259390 blocked summation (1078.02946s) started
T12 << 1462265581.08550191 blocked summation (1082.01237s) stopped
T12 >> 1462265581.09505796 Scalapack redistribute (827.01565s) started
T12 << 1462265584.17172003 Scalapack redistribute (830.09231s) stopped
T12 << 1462265584.17182589 Distribute overlap matrix (1914.83950s) stopped
T12 >> 1462265584.17623901 Blacs Orbital Layouts (14777.26487s) started
T12 >> 1462265584.18520308 General diagonalize (14717.79417s) started
T12 << 1462265638.06846905 General diagonalize (14771.67744s) stopped
T12 >> 1462265638.06852198 Redistribute coefs (2.20840s) started
T12 << 1462265638.07745695 Redistribute coefs (2.21733s) stopped
T12 >> 1462265638.07750797 Send coefs to domains (54.80476s) started
T12 << 1462265638.48578691 Send coefs to domains (55.21304s) stopped
T12 << 1462265638.48625207 Blacs Orbital Layouts (14831.57488s) stopped
T12 >> 1462265638.48628306 Calculate projections (478.18496s) started
T12 << 1462265640.26576209 Calculate projections (479.96444s) stopped
T12 << 1462265640.26597309 LCAO eigensolver (17600.09575s) stopped
T12 >> 1462265643.43062091 Density (4262.11174s) started
T12 >> 1462265643.43063593 Pseudo density (3310.77780s) started
T12 >> 1462265643.43367195 Calculate density matrix (3111.58746s) started
T12 << 1462265655.64446902 Calculate density matrix (3123.79825s) stopped
T12 >> 1462265655.64452505 Construct density (193.91687s) started
T12 << 1462265656.38730907 Construct density (194.65966s) stopped
T12 >> 1462265656.40376806 Symmetrize density (0.02213s) started
T12 << 1462265656.40384889 Symmetrize density (0.02221s) stopped
T12 << 1462265656.40626597 Pseudo density (3323.75343s) stopped
T12 >> 1462265656.40633106 Atomic density matrices (835.26109s) started
T12 << 1462265659.74548411 Atomic density matrices (838.60024s) stopped
T12 >> 1462265659.74552202 Multipole moments (2.60195s) started
T12 << 1462265659.75676394 Multipole moments (2.61319s) stopped
T12 >> 1462265659.75679398 Normalize (1.79429s) started
T12 << 1462265659.76361704 Normalize (1.80111s) stopped
T12 >> 1462265659.76366091 Mix (111.65699s) started
T12 << 1462265660.18825603 Mix (112.08158s) stopped
T12 << 1462265660.18831110 Density (4278.86943s) stopped
T12 >> 1462265660.18833995 Hamiltonian (11979.42655s) started
T12 >> 1462265660.18835592 vbar (7.22562s) started
T12 << 1462265660.21938896 vbar (7.25665s) stopped
T12 >> 1462265660.21955609 XC 3D grid (7397.05484s) started
T12 >> 1462265660.68392110 van der Waals (7148.00235s) started
T12 >> 1462265660.79813504 semilocal (1505.70685s) started
T12 << 1462265666.57322407 semilocal (1511.48194s) stopped
T12 >> 1462265666.65313911 redistribute (766.29024s) started
T12 << 1462265667.68651295 redistribute (767.32361s) stopped
T12 >> 1462265667.68658996 libvdwxc nonlocal (4826.16286s) started
T12 << 1462265685.89479399 libvdwxc nonlocal (4844.37107s) stopped
T12 >> 1462265685.89488411 redistribute (767.32367s) started
T12 << 1462265687.92558002 redistribute (769.35437s) stopped
T12 << 1462265687.92642307 van der Waals (7175.24485s) stopped
T12 << 1462265688.38065004 XC 3D grid (7425.21593s) stopped
T12 >> 1462265688.38070297 Poisson (1724.49984s) started
T12 << 1462265692.81613207 Poisson (1728.93527s) stopped
T12 >> 1462265692.81620312 Hartree integrate/restrict (95.95266s) started
T12 << 1462265692.85564399 Hartree integrate/restrict (95.99210s) stopped
T12 >> 1462265692.85573411 Hartree integrate/restrict (95.99216s) started
T12 << 1462265693.17903709 Hartree integrate/restrict (96.31546s) stopped
T12 >> 1462265693.17918491 Atomic (621.05959s) started
T12 >> 1462265693.18095398 XC Correction (0.00863s) started
T12 << 1462265693.18097496 XC Correction (0.00865s) stopped
T12 << 1462265695.58801389 Atomic (623.46842s) stopped
T12 >> 1462265695.58810806 Communicate (2133.51305s) started
T12 << 1462265706.51046896 Communicate (2144.43541s) stopped
T12 << 1462265706.51050496 Hamiltonian (12025.74872s) stopped
T12 >> 1462265706.51052999 LCAO eigensolver (17600.09577s) started
T12 >> 1462265706.51054406 Potential matrix (267.31009s) started
T12 << 1462265707.45901990 Potential matrix (268.25856s) stopped
T12 >> 1462265707.45911503 DistributedAtomicCorrection (105.04271s) started
T12 << 1462265707.84893203 DistributedAtomicCorrection (105.43253s) stopped
T12 >> 1462265707.84899497 Distribute overlap matrix (1914.83951s) started
T12 >> 1462265707.84901905 blocked summation (1082.01240s) started
T12 << 1462265711.83035493 blocked summation (1085.99374s) stopped
T12 >> 1462265711.83983994 Scalapack redistribute (830.09237s) started
T12 << 1462265714.95518494 Scalapack redistribute (833.20771s) stopped
T12 << 1462265714.95531297 Distribute overlap matrix (1921.94583s) stopped
T12 >> 1462265714.95976591 Blacs Orbital Layouts (14831.57490s) started
T12 >> 1462265714.96886611 General diagonalize (14771.67748s) started
T12 << 1462265767.30341911 General diagonalize (14824.01204s) stopped
T12 >> 1462265767.30346608 Redistribute coefs (2.21737s) started
T12 << 1462265767.31227112 Redistribute coefs (2.22618s) stopped
T12 >> 1462265767.31231594 Send coefs to domains (55.21308s) started
T12 << 1462265767.41163993 Send coefs to domains (55.31240s) stopped
T12 << 1462265767.41221809 Blacs Orbital Layouts (14884.02735s) stopped
T12 >> 1462265767.41224599 Calculate projections (479.96450s) started
T12 << 1462265769.18157911 Calculate projections (481.73383s) stopped
T12 << 1462265769.18180609 LCAO eigensolver (17662.76704s) stopped
T12 >> 1462265772.34847403 Density (4278.86945s) started
T12 >> 1462265772.34849000 Pseudo density (3323.75348s) started
T12 >> 1462265772.35103607 Calculate density matrix (3123.79829s) started
T12 << 1462265784.26710606 Calculate density matrix (3135.71436s) stopped
T12 >> 1462265784.26715493 Construct density (194.65972s) started
T12 << 1462265785.01106501 Construct density (195.40363s) stopped
T12 >> 1462265785.02525711 Symmetrize density (0.02223s) started
T12 << 1462265785.02531505 Symmetrize density (0.02228s) stopped
T12 << 1462265785.02737188 Pseudo density (3336.43236s) stopped
T12 >> 1462265785.02742910 Atomic density matrices (838.60027s) started
T12 << 1462265788.34384704 Atomic density matrices (841.91669s) stopped
T12 >> 1462265788.34387994 Multipole moments (2.61321s) started
T12 << 1462265788.35566211 Multipole moments (2.62499s) stopped
T12 >> 1462265788.35569191 Normalize (1.80114s) started
T12 << 1462265788.36191893 Normalize (1.80737s) stopped
T12 >> 1462265788.36196589 Mix (112.08163s) started
T12 << 1462265788.82790494 Mix (112.54757s) stopped
T12 << 1462265788.82793498 Density (4295.34891s) stopped
T12 >> 1462265788.82795811 Hamiltonian (12025.74873s) started
T12 >> 1462265788.82797194 vbar (7.25675s) started
T12 << 1462265788.85225797 vbar (7.28103s) stopped
T12 >> 1462265788.85239601 XC 3D grid (7425.21597s) started
T12 >> 1462265789.45375109 van der Waals (7175.24488s) started
T12 >> 1462265789.56450391 semilocal (1511.48204s) started
T12 << 1462265795.31062603 semilocal (1517.22816s) stopped
T12 >> 1462265795.39001799 redistribute (769.35441s) started
T12 << 1462265796.44193697 redistribute (770.40633s) stopped
T12 >> 1462265796.44197989 libvdwxc nonlocal (4844.37114s) started
T12 << 1462265814.64564300 libvdwxc nonlocal (4862.57480s) stopped
T12 >> 1462265814.64571095 redistribute (770.40636s) started
T12 << 1462265816.44474101 redistribute (772.20539s) stopped
T12 << 1462265816.44583797 van der Waals (7202.23696s) stopped
T12 << 1462265816.90604997 XC 3D grid (7453.26963s) stopped
T12 >> 1462265816.90609288 Poisson (1728.93532s) started
T12 << 1462265819.80893397 Poisson (1731.83816s) stopped
T12 >> 1462265819.80900311 Hartree integrate/restrict (96.31550s) started
T12 << 1462265819.85286307 Hartree integrate/restrict (96.35936s) stopped
T12 >> 1462265819.85291195 Hartree integrate/restrict (96.35939s) started
T12 << 1462265820.16238809 Hartree integrate/restrict (96.66886s) stopped
T12 >> 1462265820.16255593 Atomic (623.46845s) started
T12 >> 1462265820.16420794 XC Correction (0.00867s) started
T12 << 1462265820.16422296 XC Correction (0.00868s) stopped
T12 << 1462265822.57726693 Atomic (625.88316s) stopped
T12 >> 1462265822.57735300 Communicate (2144.43544s) started
T12 << 1462265833.50009394 Communicate (2155.35818s) stopped
T12 << 1462265833.50013089 Hamiltonian (12070.42090s) stopped
T12 >> 1462265833.50015593 LCAO eigensolver (17662.76709s) started
T12 >> 1462265833.50016904 Potential matrix (268.25862s) started
T12 << 1462265834.44793296 Potential matrix (269.20638s) stopped
T12 >> 1462265834.44800401 DistributedAtomicCorrection (105.43257s) started
T12 << 1462265834.83443904 DistributedAtomicCorrection (105.81900s) stopped
T12 >> 1462265834.83449602 Distribute overlap matrix (1921.94584s) started
T12 >> 1462265834.83451796 blocked summation (1085.99378s) started
T12 << 1462265838.86649108 blocked summation (1090.02575s) stopped
T12 >> 1462265838.87596798 Scalapack redistribute (833.20778s) started
T12 << 1462265841.92766190 Scalapack redistribute (836.25947s) stopped
T12 << 1462265841.92776704 Distribute overlap matrix (1929.03911s) stopped
T12 >> 1462265841.93190289 Blacs Orbital Layouts (14884.02737s) started
T12 >> 1462265841.94043589 General diagonalize (14824.01207s) started
T12 << 1462265895.88102293 General diagonalize (14877.95266s) stopped
T12 >> 1462265895.88107491 Redistribute coefs (2.22621s) started
T12 << 1462265895.89038610 Redistribute coefs (2.23552s) stopped
T12 >> 1462265895.89043498 Send coefs to domains (55.31244s) started
T12 << 1462265895.98889995 Send coefs to domains (55.41090s) stopped
T12 << 1462265895.98939896 Blacs Orbital Layouts (14938.08487s) stopped
T12 >> 1462265895.98942995 Calculate projections (481.73389s) started
T12 << 1462265897.76822996 Calculate projections (483.51269s) stopped
T12 << 1462265897.76847005 LCAO eigensolver (17727.03540s) stopped
T12 >> 1462265900.95367908 Density (4295.34892s) started
T12 >> 1462265900.95369601 Pseudo density (3336.43241s) started
T12 >> 1462265900.95695090 Calculate density matrix (3135.71440s) started
T12 << 1462265913.96683311 Calculate density matrix (3148.72428s) stopped
T12 >> 1462265913.96689105 Construct density (195.40368s) started
T12 << 1462265914.70916009 Construct density (196.14595s) stopped
T12 >> 1462265914.72533607 Symmetrize density (0.02230s) started
T12 << 1462265914.72541404 Symmetrize density (0.02238s) stopped
T12 << 1462265914.72782302 Pseudo density (3350.20653s) stopped
T12 >> 1462265914.72788906 Atomic density matrices (841.91671s) started
T12 << 1462265918.05240202 Atomic density matrices (845.24123s) stopped
T12 >> 1462265918.05243897 Multipole moments (2.62501s) started
T12 << 1462265918.06422210 Multipole moments (2.63679s) stopped
T12 >> 1462265918.06425309 Normalize (1.80740s) started
T12 << 1462265918.07078409 Normalize (1.81393s) stopped
T12 >> 1462265918.07083201 Mix (112.54760s) started
T12 << 1462265918.50657296 Mix (112.98334s) stopped
T12 << 1462265918.50662589 Density (4312.90187s) stopped
T12 >> 1462265918.50665307 Hamiltonian (12070.42092s) started
T12 >> 1462265918.50666809 vbar (7.28112s) started
T12 << 1462265918.53869605 vbar (7.31314s) stopped
T12 >> 1462265918.53879189 XC 3D grid (7453.26966s) started
T12 >> 1462265919.02387595 van der Waals (7202.23699s) started
T12 >> 1462265919.13651800 semilocal (1517.22821s) started
T12 << 1462265924.93924308 semilocal (1523.03093s) stopped
T12 >> 1462265925.01579690 redistribute (772.20545s) started
T12 << 1462265926.01427889 redistribute (773.20394s) stopped
T12 >> 1462265926.01435709 libvdwxc nonlocal (4862.57486s) started
T12 << 1462265944.61116695 libvdwxc nonlocal (4881.17167s) stopped
T12 >> 1462265944.61124802 redistribute (773.20400s) started
T12 << 1462265946.76043010 redistribute (775.35318s) stopped
T12 << 1462265946.76186991 van der Waals (7229.97499s) stopped
T12 << 1462265947.23180795 XC 3D grid (7481.96267s) stopped
T12 >> 1462265947.23186207 Poisson (1731.83821s) started
T12 << 1462265951.66222310 Poisson (1736.26858s) stopped
T12 >> 1462265951.66231203 Hartree integrate/restrict (96.66892s) started
T12 << 1462265951.70087504 Hartree integrate/restrict (96.70748s) stopped
T12 >> 1462265951.70096803 Hartree integrate/restrict (96.70754s) started
T12 << 1462265952.03230691 Hartree integrate/restrict (97.03888s) stopped
T12 >> 1462265952.03245091 Atomic (625.88318s) started
T12 >> 1462265952.03416491 XC Correction (0.00869s) started
T12 << 1462265952.03418207 XC Correction (0.00871s) stopped
T12 << 1462265954.45729899 Atomic (628.30803s) stopped
T12 >> 1462265954.45739007 Communicate (2155.35820s) started
T12 << 1462265965.41005993 Communicate (2166.31087s) stopped
T12 << 1462265965.41009212 Hamiltonian (12117.32436s) stopped
T12 >> 1462265965.41011500 LCAO eigensolver (17727.03542s) started
T12 >> 1462265965.41012812 Potential matrix (269.20642s) started
T12 << 1462265966.36585402 Potential matrix (270.16215s) stopped
T12 >> 1462265966.36595106 DistributedAtomicCorrection (105.81904s) started
T12 << 1462265966.75004911 DistributedAtomicCorrection (106.20314s) stopped
T12 >> 1462265966.75010705 Distribute overlap matrix (1929.03912s) started
T12 >> 1462265966.75013089 blocked summation (1090.02578s) started
T12 << 1462265970.79654598 blocked summation (1094.07219s) stopped
T12 >> 1462265970.80609202 Scalapack redistribute (836.25953s) started
T12 << 1462265973.80175495 Scalapack redistribute (839.25519s) stopped
T12 << 1462265973.80185390 Distribute overlap matrix (1936.09087s) stopped
T12 >> 1462265973.80642200 Blacs Orbital Layouts (14938.08489s) started
T12 >> 1462265973.81568408 General diagonalize (14877.95270s) started
T12 << 1462266028.14332795 General diagonalize (14932.28035s) stopped
T12 >> 1462266028.14337492 Redistribute coefs (2.23556s) started
T12 << 1462266028.15156007 Redistribute coefs (2.24374s) stopped
T12 >> 1462266028.15160108 Send coefs to domains (55.41094s) started
T12 << 1462266028.29164004 Send coefs to domains (55.55098s) stopped
T12 << 1462266028.29219007 Blacs Orbital Layouts (14992.57066s) stopped
T12 >> 1462266028.29221797 Calculate projections (483.51275s) started
T12 << 1462266030.06316900 Calculate projections (485.28370s) stopped
T12 << 1462266030.06339598 LCAO eigensolver (17791.68870s) stopped
T12 << 1462266033.23688602 SCF-cycle (35118.67689s) stopped
T12 >> 1462266035.65630007 Force calculation (1266.89760s) started
T12 >> 1462266035.65636706 LCAO forces (1252.85609s) started
T12 >> 1462266035.65672112 Initial (0.00038s) started
T12 << 1462266035.65673208 Initial (0.00039s) stopped
T12 >> 1462266035.66308403 Get density matrix (662.86551s) started
T12 << 1462266044.77756596 Get density matrix (671.98000s) stopped
T12 >> 1462266044.77760696 Potential (100.67269s) started
T12 << 1462266050.79471993 Potential (106.68981s) stopped
T12 >> 1462266050.79477692 Get density matrix (671.98003s) started
T12 << 1462266081.07217002 Get density matrix (702.25742s) stopped
T12 >> 1462266081.07222795 Prepare TCI loop (35.09018s) started
T12 >> 1462266081.07271194 Get neighbors (31.97566s) started
T12 << 1462266082.88622499 Get neighbors (33.78917s) stopped
T12 >> 1462266082.88697505 broadcast dH (3.09635s) started
T12 << 1462266083.11833405 broadcast dH (3.32771s) stopped
T12 << 1462266083.11837506 Prepare TCI loop (37.13632s) stopped
T12 >> 1462266083.11839390 Not so complicated loop (1.96395s) started
T12 << 1462266083.23209405 Not so complicated loop (2.07765s) stopped
T12 >> 1462266083.34413695 Complicated loop (294.71758s) started
T12 << 1462266101.23638296 Complicated loop (312.60982s) stopped
T12 >> 1462266101.23732710 Wait for sum (155.50232s) started
T12 << 1462266110.66865396 Wait for sum (164.93365s) stopped
T12 << 1462266110.66868806 LCAO forces (1327.86841s) stopped
T12 << 1462266111.49081302 Force calculation (1342.73211s) stopped
T12 >> 1462266111.50892711 Initialization (2086.31861s) started
T12 << 1462266111.50908804 Initialization (2086.31877s) stopped
T12 >> 1462266111.50930309 Initialization (2086.31879s) started
T12 << 1462266111.50943089 Initialization (2086.31892s) stopped
T12 >> 1462266111.50956202 Initialization (2086.31893s) started
T12 << 1462266111.50968695 Initialization (2086.31905s) stopped
T12 >> 1462266131.86948109 Initialization (2086.31907s) started
T12 >> 1462266131.97360802 Basic WFS set positions (1.48653s) started
T12 >> 1462266131.97363091 Redistribute (0.00929s) started
T12 << 1462266131.97375894 Redistribute (0.00941s) stopped
T12 << 1462266132.05897903 Basic WFS set positions (1.57190s) stopped
T12 >> 1462266132.05900407 Basis functions set positions (30.14729s) started
T12 << 1462266133.88564491 Basis functions set positions (31.97393s) stopped
T12 >> 1462266133.88611102 TCI: Calculate S, T, P (257.11444s) started
T12 << 1462266148.69811893 TCI: Calculate S, T, P (271.92644s) stopped
T12 >> 1462266148.69817305 blocked summation (332.19666s) started
T12 << 1462266171.09000397 blocked summation (354.58849s) stopped
T12 >> 1462266171.09929800 Scalapack redistribute (123.28959s) started
T12 << 1462266177.68761897 Scalapack redistribute (129.87791s) stopped
T12 >> 1462266177.68849301 blocked summation (354.58857s) started
T12 << 1462266178.82984495 blocked summation (355.72992s) stopped
T12 >> 1462266178.83959007 Scalapack redistribute (129.87797s) started
T12 << 1462266179.03926396 Scalapack redistribute (130.07764s) stopped
T12 >> 1462266179.04101491 Redistribute (0.07391s) started
T12 << 1462266179.04153895 Redistribute (0.07443s) stopped
T12 >> 1462266180.70716310 Redistribute (0.07445s) started
T12 << 1462266180.70762205 Redistribute (0.07491s) stopped
T12 >> 1462266180.72223902 LCAO WFS Initialize (1304.90684s) started
T12 >> 1462266180.72232389 Density initialize from wavefunctions (240.54290s) started
T12 >> 1462266180.72871494 Calculate density matrix (167.73877s) started
T12 << 1462266191.27184391 Calculate density matrix (178.28190s) stopped
T12 >> 1462266191.27189207 Construct density (12.60020s) started
T12 << 1462266192.01537108 Construct density (13.34367s) stopped
T12 >> 1462266192.02991009 Symmetrize density (0.00136s) started
T12 << 1462266192.02996802 Symmetrize density (0.00142s) stopped
T12 << 1462266195.58451509 Density initialize from wavefunctions (255.40509s) stopped
T12 >> 1462266195.58477712 Hamiltonian (1063.44558s) started
T12 >> 1462266195.58480000 vbar (0.52159s) started
T12 << 1462266195.60747099 vbar (0.54426s) stopped
T12 >> 1462266195.60760999 XC 3D grid (518.08185s) started
T12 >> 1462266196.11240196 van der Waals (500.89298s) started
T12 >> 1462266196.22204900 semilocal (104.36707s) started
T12 << 1462266201.96224689 semilocal (110.10727s) stopped
T12 >> 1462266202.03913212 redistribute (60.09797s) started
T12 << 1462266203.09526205 redistribute (61.15410s) stopped
T12 >> 1462266203.09533596 libvdwxc nonlocal (332.96868s) started
T12 << 1462266221.37466908 libvdwxc nonlocal (351.24802s) stopped
T12 >> 1462266221.37473202 redistribute (61.15415s) started
T12 << 1462266223.14042211 redistribute (62.91984s) stopped
T12 << 1462266223.14146996 van der Waals (527.92205s) stopped
T12 << 1462266223.60110497 XC 3D grid (546.07534s) stopped
T12 >> 1462266223.60115790 Poisson (304.74902s) started
T12 << 1462266237.87022591 Poisson (319.01809s) stopped
T12 >> 1462266237.87034202 Hartree integrate/restrict (6.66740s) started
T12 << 1462266237.91331697 Hartree integrate/restrict (6.71038s) stopped
T12 >> 1462266237.91339397 Hartree integrate/restrict (6.71043s) started
T12 << 1462266238.24351597 Hartree integrate/restrict (7.04056s) stopped
T12 >> 1462266238.24367595 Atomic (42.25030s) started
T12 >> 1462266238.24576306 XC Correction (0.00072s) started
T12 << 1462266238.24579501 XC Correction (0.00075s) stopped
T12 << 1462266240.63599205 Atomic (44.64262s) stopped
T12 >> 1462266240.63616204 Communicate (191.14161s) started
T12 << 1462266254.35778999 Communicate (204.86324s) stopped
T12 << 1462266254.35781503 Hamiltonian (1122.21862s) stopped
T12 << 1462266254.35782790 LCAO WFS Initialize (1378.54243s) stopped
T12 << 1462266254.36972189 Initialization (2208.81931s) stopped
T12 >> 1462266254.39545012 SCF-cycle (35118.67691s) started
T12 >> 1462266254.39548612 LCAO eigensolver (17791.68872s) started
T12 >> 1462266254.39549899 Potential matrix (270.16220s) started
T12 << 1462266255.35143399 Potential matrix (271.11814s) stopped
T12 >> 1462266255.35150695 DistributedAtomicCorrection (106.20318s) started
T12 << 1462266255.73845196 DistributedAtomicCorrection (106.59012s) stopped
T12 >> 1462266255.73849797 Distribute overlap matrix (1936.09088s) started
T12 >> 1462266255.73852611 blocked summation (1094.07223s) started
T12 << 1462266259.87726212 blocked summation (1098.21097s) stopped
T12 >> 1462266259.88658690 Scalapack redistribute (839.25524s) started
T12 << 1462266263.18273211 Scalapack redistribute (842.55138s) stopped
T12 << 1462266263.18283105 Distribute overlap matrix (1943.53522s) stopped
T12 >> 1462266263.18687201 Blacs Orbital Layouts (14992.57068s) started
T12 >> 1462266263.19544792 General diagonalize (14932.28039s) started
T12 << 1462266319.17985010 General diagonalize (14988.26479s) stopped
T12 >> 1462266319.17989707 Redistribute coefs (2.24378s) started
T12 << 1462266319.18759108 Redistribute coefs (2.25147s) stopped
T12 >> 1462266319.18766308 Send coefs to domains (55.55101s) started
T12 << 1462266319.28011394 Send coefs to domains (55.64346s) stopped
T12 << 1462266319.28061390 Blacs Orbital Layouts (15048.66442s) stopped
T12 >> 1462266319.28064394 Calculate projections (485.28375s) started
T12 << 1462266321.04470301 Calculate projections (487.04781s) stopped
T12 << 1462266321.04489207 LCAO eigensolver (17858.33813s) stopped
T12 >> 1462266324.22630310 Density (4312.90188s) started
T12 >> 1462266324.22631788 Pseudo density (3350.20659s) started
T12 >> 1462266324.22849989 Calculate density matrix (3148.72432s) started
T12 << 1462266336.10352206 Calculate density matrix (3160.59934s) stopped
T12 >> 1462266336.10356903 Construct density (196.14600s) started
T12 << 1462266336.84398890 Construct density (196.88642s) stopped
T12 >> 1462266336.85778093 Symmetrize density (0.02240s) started
T12 << 1462266336.85785103 Symmetrize density (0.02247s) stopped
T12 << 1462266336.85985994 Pseudo density (3362.84013s) stopped
T12 >> 1462266336.85991907 Atomic density matrices (845.24125s) started
T12 << 1462266340.28114390 Atomic density matrices (848.66248s) stopped
T12 >> 1462266340.28117609 Multipole moments (2.63681s) started
T12 << 1462266340.29262209 Multipole moments (2.64825s) stopped
T12 >> 1462266340.29264498 Normalize (1.81397s) started
T12 << 1462266340.29882789 Normalize (1.82015s) stopped
T12 >> 1462266340.29889202 Mix (112.98339s) started
T12 << 1462266340.64948392 Mix (113.33399s) stopped
T12 << 1462266340.64953494 Density (4329.32511s) stopped
T12 >> 1462266340.64955997 Hamiltonian (12117.32437s) started
T12 >> 1462266340.64957404 vbar (7.31319s) started
T12 << 1462266340.67024994 vbar (7.33387s) stopped
T12 >> 1462266340.67033410 XC 3D grid (7481.96272s) started
T12 >> 1462266341.20218992 van der Waals (7229.97502s) started
T12 >> 1462266341.31147289 semilocal (1523.03102s) started
T12 << 1462266347.04262400 semilocal (1528.76217s) stopped
T12 >> 1462266347.12312794 redistribute (775.35322s) started
T12 << 1462266348.15905690 redistribute (776.38915s) stopped
T12 >> 1462266348.15911603 libvdwxc nonlocal (4881.17173s) started
T12 << 1462266366.60653806 libvdwxc nonlocal (4899.61915s) stopped
T12 >> 1462266366.60660291 redistribute (776.38920s) started
T12 << 1462266368.46640205 redistribute (778.24900s) stopped
T12 << 1462266368.46773696 van der Waals (7257.24057s) stopped
T12 << 1462266368.94098711 XC 3D grid (7510.23337s) stopped
T12 >> 1462266368.94103003 Poisson (1736.26864s) started
T12 << 1462266376.24528098 Poisson (1743.57289s) stopped
T12 >> 1462266376.24534798 Hartree integrate/restrict (97.03891s) started
T12 << 1462266376.28914499 Hartree integrate/restrict (97.08271s) stopped
T12 >> 1462266376.28919196 Hartree integrate/restrict (97.08274s) started
T12 << 1462266376.65255189 Hartree integrate/restrict (97.44610s) stopped
T12 >> 1462266376.65273404 Atomic (628.30805s) started
T12 >> 1462266376.65474105 XC Correction (0.00872s) started
T12 << 1462266376.65476108 XC Correction (0.00874s) stopped
T12 << 1462266379.06121206 Atomic (630.71653s) stopped
T12 >> 1462266379.06138706 Communicate (2166.31089s) started
T12 << 1462266392.79781199 Communicate (2180.04732s) stopped
T12 << 1462266392.79784489 Hamiltonian (12169.47265s) stopped
T12 >> 1462266392.79786897 LCAO eigensolver (17858.33815s) started
T12 >> 1462266392.79788208 Potential matrix (271.11818s) started
T12 << 1462266393.74673891 Potential matrix (272.06704s) stopped
T12 >> 1462266393.74682689 DistributedAtomicCorrection (106.59016s) started
T12 << 1462266394.13510609 DistributedAtomicCorrection (106.97844s) stopped
T12 >> 1462266394.13515401 Distribute overlap matrix (1943.53523s) started
T12 >> 1462266394.13518310 blocked summation (1098.21102s) started
T12 << 1462266398.32198310 blocked summation (1102.39782s) stopped
T12 >> 1462266398.33132410 Scalapack redistribute (842.55143s) started
T12 << 1462266401.54107809 Scalapack redistribute (845.76118s) stopped
T12 << 1462266401.54118800 Distribute overlap matrix (1950.94126s) stopped
T12 >> 1462266401.54536009 Blacs Orbital Layouts (15048.66444s) started
T12 >> 1462266401.55439591 General diagonalize (14988.26483s) started
T12 << 1462266455.89266992 General diagonalize (15042.60310s) stopped
T12 >> 1462266455.89271307 Redistribute coefs (2.25153s) started
T12 << 1462266455.90029502 Redistribute coefs (2.25911s) stopped
T12 >> 1462266455.90037107 Send coefs to domains (55.64349s) started
T12 << 1462266456.16183090 Send coefs to domains (55.90495s) stopped
T12 << 1462266456.16226292 Blacs Orbital Layouts (15103.28134s) stopped
T12 >> 1462266456.16229010 Calculate projections (487.04786s) started
T12 << 1462266457.92688298 Calculate projections (488.81245s) stopped
T12 << 1462266457.92706704 LCAO eigensolver (17923.46735s) stopped
T12 >> 1462266461.10141993 Density (4329.32512s) started
T12 >> 1462266461.10143590 Pseudo density (3362.84018s) started
T12 >> 1462266461.10316300 Calculate density matrix (3160.59937s) started
T12 << 1462266473.00733089 Calculate density matrix (3172.50354s) stopped
T12 >> 1462266473.00737906 Construct density (196.88647s) started
T12 << 1462266473.74772000 Construct density (197.62681s) stopped
T12 >> 1462266473.76165509 Symmetrize density (0.02248s) started
T12 << 1462266473.76172304 Symmetrize density (0.02255s) stopped
T12 << 1462266473.76375008 Pseudo density (3375.50249s) stopped
T12 >> 1462266473.76381302 Atomic density matrices (848.66250s) started
T12 << 1462266477.13935900 Atomic density matrices (852.03805s) stopped
T12 >> 1462266477.13939095 Multipole moments (2.64827s) started
T12 << 1462266477.15099692 Multipole moments (2.65987s) stopped
T12 >> 1462266477.15102005 Normalize (1.82020s) started
T12 << 1462266477.15712595 Normalize (1.82630s) stopped
T12 >> 1462266477.15717912 Mix (113.33404s) started
T12 << 1462266477.52864289 Mix (113.70550s) stopped
T12 << 1462266477.52870798 Density (4345.75241s) stopped
T12 >> 1462266477.52873993 Hamiltonian (12169.47266s) started
T12 >> 1462266477.52875710 vbar (7.33392s) started
T12 << 1462266477.55997109 vbar (7.36513s) stopped
T12 >> 1462266477.56009102 XC 3D grid (7510.23341s) started
T12 >> 1462266478.03819489 van der Waals (7257.24059s) started
T12 >> 1462266478.15201902 semilocal (1528.76231s) started
T12 << 1462266483.94878507 semilocal (1534.55907s) stopped
T12 >> 1462266484.02045703 redistribute (778.24905s) started
T12 << 1462266485.01278591 redistribute (779.24138s) stopped
T12 >> 1462266485.01284289 libvdwxc nonlocal (4899.61920s) started
T12 << 1462266503.11075711 libvdwxc nonlocal (4917.71711s) stopped
T12 >> 1462266503.11085200 redistribute (779.24142s) started
T12 << 1462266505.91181302 redistribute (782.04239s) stopped
T12 << 1462266505.91311193 van der Waals (7285.11551s) stopped
T12 << 1462266506.37286305 XC 3D grid (7539.04618s) stopped
T12 >> 1462266506.37293410 Poisson (1743.57294s) started
T12 << 1462266514.84547901 Poisson (1752.04549s) stopped
T12 >> 1462266514.84555697 Hartree integrate/restrict (97.44614s) started
T12 << 1462266514.88353896 Hartree integrate/restrict (97.48412s) stopped
T12 >> 1462266514.88362098 Hartree integrate/restrict (97.48418s) started
T12 << 1462266515.21348000 Hartree integrate/restrict (97.81404s) stopped
T12 >> 1462266515.21361899 Atomic (630.71655s) started
T12 >> 1462266515.21546197 XC Correction (0.00875s) started
T12 << 1462266515.21547699 XC Correction (0.00876s) stopped
T12 << 1462266517.63847089 Atomic (633.14140s) stopped
T12 >> 1462266517.63865590 Communicate (2180.04734s) started
T12 << 1462266530.85677195 Communicate (2193.26545s) stopped
T12 << 1462266530.85681510 Hamiltonian (12222.80074s) stopped
T12 >> 1462266530.85684204 LCAO eigensolver (17923.46736s) started
T12 >> 1462266530.85685611 Potential matrix (272.06709s) started
T12 << 1462266531.80973101 Potential matrix (273.01997s) stopped
T12 >> 1462266531.80982995 DistributedAtomicCorrection (106.97848s) started
T12 << 1462266532.21459389 DistributedAtomicCorrection (107.38324s) stopped
T12 >> 1462266532.21464300 Distribute overlap matrix (1950.94128s) started
T12 >> 1462266532.21467710 blocked summation (1102.39787s) started
T12 << 1462266536.33800793 blocked summation (1106.52120s) stopped
T12 >> 1462266536.34763408 Scalapack redistribute (845.76125s) started
T12 << 1462266539.50896502 Scalapack redistribute (848.92258s) stopped
T12 << 1462266539.50904894 Distribute overlap matrix (1958.23568s) stopped
T12 >> 1462266539.51362991 Blacs Orbital Layouts (15103.28136s) started
T12 >> 1462266539.52229500 General diagonalize (15042.60314s) started
T12 << 1462266591.05786395 General diagonalize (15094.13871s) stopped
T12 >> 1462266591.05791593 Redistribute coefs (2.25917s) started
T12 << 1462266591.06580400 Redistribute coefs (2.26706s) stopped
T12 >> 1462266591.06589508 Send coefs to domains (55.90499s) started
T12 << 1462266591.19434404 Send coefs to domains (56.03344s) stopped
T12 << 1462266591.19480896 Blacs Orbital Layouts (15154.96254s) stopped
T12 >> 1462266591.19484401 Calculate projections (488.81250s) started
T12 << 1462266592.97322011 Calculate projections (490.59088s) stopped
T12 << 1462266592.97361207 LCAO eigensolver (17985.58413s) stopped
T12 >> 1462266596.13586712 Density (4345.75243s) started
T12 >> 1462266596.13588309 Pseudo density (3375.50254s) started
T12 >> 1462266596.13883090 Calculate density matrix (3172.50357s) started
T12 << 1462266608.15453911 Calculate density matrix (3184.51928s) stopped
T12 >> 1462266608.15459704 Construct density (197.62686s) started
T12 << 1462266608.89944005 Construct density (198.37171s) stopped
T12 >> 1462266608.91545606 Symmetrize density (0.02257s) started
T12 << 1462266608.91553712 Symmetrize density (0.02265s) stopped
T12 << 1462266608.91798210 Pseudo density (3388.28464s) stopped
T12 >> 1462266608.91804910 Atomic density matrices (852.03808s) started
T12 << 1462266612.36909103 Atomic density matrices (855.48912s) stopped
T12 >> 1462266612.36912704 Multipole moments (2.65989s) started
T12 << 1462266612.38125992 Multipole moments (2.67202s) stopped
T12 >> 1462266612.38128400 Normalize (1.82634s) started
T12 << 1462266612.38811111 Normalize (1.83317s) stopped
T12 >> 1462266612.38816094 Mix (113.70556s) started
T12 << 1462266612.82452297 Mix (114.14193s) stopped
T12 << 1462266612.82458091 Density (4362.44114s) stopped
T12 >> 1462266612.82460690 Hamiltonian (12222.80075s) started
T12 >> 1462266612.82462192 vbar (7.36520s) started
T12 << 1462266612.86480594 vbar (7.40539s) stopped
T12 >> 1462266612.86505008 XC 3D grid (7539.04624s) started
T12 >> 1462266613.33656502 van der Waals (7285.11554s) started
T12 >> 1462266613.44949293 semilocal (1534.55915s) started
T12 << 1462266619.17186308 semilocal (1540.28152s) stopped
T12 >> 1462266619.24743390 redistribute (782.04245s) started
T12 << 1462266620.28169298 redistribute (783.07671s) stopped
T12 >> 1462266620.28174496 libvdwxc nonlocal (4917.71719s) started
T12 << 1462266638.57585192 libvdwxc nonlocal (4936.01130s) stopped
T12 >> 1462266638.57593107 redistribute (783.07675s) started
T12 << 1462266640.52614093 redistribute (785.02696s) stopped
T12 << 1462266640.52704096 van der Waals (7312.30601s) stopped
T12 << 1462266640.99358511 XC 3D grid (7567.17477s) stopped
T12 >> 1462266640.99364805 Poisson (1752.04555s) started
T12 << 1462266652.43660688 Poisson (1763.48850s) stopped
T12 >> 1462266652.43675709 Hartree integrate/restrict (97.81408s) started
T12 << 1462266652.47547412 Hartree integrate/restrict (97.85279s) stopped
T12 >> 1462266652.47557306 Hartree integrate/restrict (97.85286s) started
T12 << 1462266652.81506896 Hartree integrate/restrict (98.19235s) stopped
T12 >> 1462266652.81525803 Atomic (633.14143s) started
T12 >> 1462266652.81713700 XC Correction (0.00878s) started
T12 << 1462266652.81715488 XC Correction (0.00879s) stopped
T12 << 1462266655.23523593 Atomic (635.56140s) stopped
T12 >> 1462266655.23540902 Communicate (2193.26548s) started
T12 << 1462266667.90462995 Communicate (2205.93470s) stopped
T12 << 1462266667.90466404 Hamiltonian (12277.88081s) stopped
T12 >> 1462266667.90468907 LCAO eigensolver (17985.58415s) started
T12 >> 1462266667.90470099 Potential matrix (273.02002s) started
T12 << 1462266668.85746193 Potential matrix (273.97278s) stopped
T12 >> 1462266668.85754395 DistributedAtomicCorrection (107.38328s) started
T12 << 1462266669.26136994 DistributedAtomicCorrection (107.78711s) stopped
T12 >> 1462266669.26141906 Distribute overlap matrix (1958.23570s) started
T12 >> 1462266669.26145101 blocked summation (1106.52124s) started
T12 << 1462266673.33883810 blocked summation (1110.59862s) stopped
T12 >> 1462266673.34875298 Scalapack redistribute (848.92264s) started
T12 << 1462266676.45717406 Scalapack redistribute (852.03106s) stopped
T12 << 1462266676.45725298 Distribute overlap matrix (1965.43153s) stopped
T12 >> 1462266676.46169806 Blacs Orbital Layouts (15154.96256s) started
T12 >> 1462266676.47105098 General diagonalize (15094.13875s) started
T12 << 1462266730.58156490 General diagonalize (15148.24926s) stopped
T12 >> 1462266730.58161712 Redistribute coefs (2.26713s) started
T12 << 1462266730.58933496 Redistribute coefs (2.27485s) stopped
T12 >> 1462266730.58942008 Send coefs to domains (56.03348s) started
T12 << 1462266730.95662904 Send coefs to domains (56.40069s) stopped
T12 << 1462266730.95701909 Blacs Orbital Layouts (15209.45789s) stopped
T12 >> 1462266730.95705009 Calculate projections (490.59093s) started
T12 << 1462266732.73575401 Calculate projections (492.36964s) stopped
T12 << 1462266732.73615909 LCAO eigensolver (18050.41562s) stopped
T12 >> 1462266735.88451791 Density (4362.44115s) started
T12 >> 1462266735.88453293 Pseudo density (3388.28469s) started
T12 >> 1462266735.88766193 Calculate density matrix (3184.51932s) started
T12 << 1462266747.84278893 Calculate density matrix (3196.47445s) stopped
T12 >> 1462266747.84284902 Construct density (198.37177s) started
T12 << 1462266748.58629704 Construct density (199.11521s) stopped
T12 >> 1462266748.60296702 Symmetrize density (0.02267s) started
T12 << 1462266748.60304403 Symmetrize density (0.02275s) stopped
T12 << 1462266748.60549688 Pseudo density (3401.00566s) stopped
T12 >> 1462266748.60556602 Atomic density matrices (855.48915s) started
T12 << 1462266752.03931904 Atomic density matrices (858.92290s) stopped
T12 >> 1462266752.03935599 Multipole moments (2.67204s) started
T12 << 1462266752.05130601 Multipole moments (2.68399s) stopped
T12 >> 1462266752.05132890 Normalize (1.83321s) started
T12 << 1462266752.05793905 Normalize (1.83982s) stopped
T12 >> 1462266752.05798292 Mix (114.14198s) started
T12 << 1462266752.49094605 Mix (114.57494s) stopped
T12 << 1462266752.49099898 Density (4379.04764s) stopped
T12 >> 1462266752.49102497 Hamiltonian (12277.88082s) started
T12 >> 1462266752.49103904 vbar (7.40552s) started
T12 << 1462266752.51418900 vbar (7.42867s) stopped
T12 >> 1462266752.51431990 XC 3D grid (7567.17482s) started
T12 >> 1462266752.99004889 van der Waals (7312.30604s) started
T12 >> 1462266753.09906197 semilocal (1540.28166s) started
T12 << 1462266758.95962906 semilocal (1546.14222s) stopped
T12 >> 1462266759.03686690 redistribute (785.02702s) started
T12 << 1462266759.98282909 redistribute (785.97298s) stopped
T12 >> 1462266759.98287201 libvdwxc nonlocal (4936.01136s) started
T12 << 1462266778.88202000 libvdwxc nonlocal (4954.91051s) stopped
T12 >> 1462266778.88208795 redistribute (785.97302s) started
T12 << 1462266780.58795309 redistribute (787.67888s) stopped
T12 << 1462266780.58907700 van der Waals (7339.90507s) stopped
T12 << 1462266781.05403900 XC 3D grid (7595.71454s) stopped
T12 >> 1462266781.05407810 Poisson (1763.48862s) started
T12 << 1462266788.28723001 Poisson (1770.72177s) stopped
T12 >> 1462266788.28731489 Hartree integrate/restrict (98.19241s) started
T12 << 1462266788.33338690 Hartree integrate/restrict (98.23848s) stopped
T12 >> 1462266788.33344197 Hartree integrate/restrict (98.23852s) started
T12 << 1462266788.64528608 Hartree integrate/restrict (98.55037s) stopped
T12 >> 1462266788.64544702 Atomic (635.56143s) started
T12 >> 1462266788.64716792 XC Correction (0.00881s) started
T12 << 1462266788.64718199 XC Correction (0.00882s) stopped
T12 << 1462266791.06454897 Atomic (637.98053s) stopped
T12 >> 1462266791.06469393 Communicate (2205.93472s) started
T12 << 1462266802.79101205 Communicate (2217.66104s) stopped
T12 << 1462266802.79104805 Hamiltonian (12328.18084s) stopped
T12 >> 1462266802.79107404 LCAO eigensolver (18050.41564s) started
T12 >> 1462266802.79108596 Potential matrix (273.97283s) started
T12 << 1462266803.75269890 Potential matrix (274.93444s) stopped
T12 >> 1462266803.75278902 DistributedAtomicCorrection (107.78715s) started
T12 << 1462266804.15131307 DistributedAtomicCorrection (108.18567s) stopped
T12 >> 1462266804.15135908 Distribute overlap matrix (1965.43154s) started
T12 >> 1462266804.15138698 blocked summation (1110.59866s) started
T12 << 1462266808.35497308 blocked summation (1114.80225s) stopped
T12 >> 1462266808.36453104 Scalapack redistribute (852.03111s) started
T12 << 1462266811.25692105 Scalapack redistribute (854.92350s) stopped
T12 << 1462266811.25703692 Distribute overlap matrix (1972.53722s) stopped
T12 >> 1462266811.26126003 Blacs Orbital Layouts (15209.45791s) started
T12 >> 1462266811.27023697 General diagonalize (15148.24931s) started
T12 << 1462266866.37181306 General diagonalize (15203.35088s) stopped
T12 >> 1462266866.37185693 Redistribute coefs (2.27492s) started
T12 << 1462266866.37931991 Redistribute coefs (2.28238s) stopped
T12 >> 1462266866.37940788 Send coefs to domains (56.40073s) started
T12 << 1462266866.62916398 Send coefs to domains (56.65049s) stopped
T12 << 1462266866.62959790 Blacs Orbital Layouts (15264.82624s) stopped
T12 >> 1462266866.62962508 Calculate projections (492.36970s) started
T12 << 1462266868.39935207 Calculate projections (494.13942s) stopped
T12 << 1462266868.39970493 LCAO eigensolver (18116.02427s) stopped
T12 >> 1462266871.58908796 Density (4379.04765s) started
T12 >> 1462266871.58910298 Pseudo density (3401.00571s) started
T12 >> 1462266871.59119296 Calculate density matrix (3196.47449s) started
T12 << 1462266883.48293090 Calculate density matrix (3208.36623s) stopped
T12 >> 1462266883.48297906 Construct density (199.11527s) started
T12 << 1462266884.22592998 Construct density (199.85822s) stopped
T12 >> 1462266884.24052000 Symmetrize density (0.02277s) started
T12 << 1462266884.24058604 Symmetrize density (0.02283s) stopped
T12 << 1462266884.24266601 Pseudo density (3413.65927s) stopped
T12 >> 1462266884.24272609 Atomic density matrices (858.92293s) started
T12 << 1462266887.66164303 Atomic density matrices (862.34184s) stopped
T12 >> 1462266887.66167593 Multipole moments (2.68400s) started
T12 << 1462266887.67370105 Multipole moments (2.69603s) stopped
T12 >> 1462266887.67372990 Normalize (1.83985s) started
T12 << 1462266887.67994404 Normalize (1.84606s) stopped
T12 >> 1462266887.67999601 Mix (114.57500s) started
T12 << 1462266888.13896894 Mix (115.03397s) stopped
T12 << 1462266888.13901305 Density (4395.59757s) stopped
T12 >> 1462266888.13903999 Hamiltonian (12328.18086s) started
T12 >> 1462266888.13905597 vbar (7.42874s) started
T12 << 1462266888.16169691 vbar (7.45138s) stopped
T12 >> 1462266888.16179705 XC 3D grid (7595.71457s) started
T12 >> 1462266888.69028211 van der Waals (7339.90509s) started
T12 >> 1462266888.79986811 semilocal (1546.14229s) started
T12 << 1462266894.60896802 semilocal (1551.95139s) stopped
T12 >> 1462266894.68292809 redistribute (787.67894s) started
T12 << 1462266895.66477704 redistribute (788.66079s) stopped
T12 >> 1462266895.66482306 libvdwxc nonlocal (4954.91056s) started
T12 << 1462266914.01666689 libvdwxc nonlocal (4973.26240s) stopped
T12 >> 1462266914.01673007 redistribute (788.66082s) started
T12 << 1462266915.71579194 redistribute (790.35989s) stopped
T12 << 1462266915.71695399 van der Waals (7366.93177s) stopped
T12 << 1462266916.17036104 XC 3D grid (7623.72314s) stopped
T12 >> 1462266916.17042303 Poisson (1770.72183s) started
T12 << 1462266921.87573695 Poisson (1776.42715s) stopped
T12 >> 1462266921.87580800 Hartree integrate/restrict (98.55042s) started
T12 << 1462266921.91975403 Hartree integrate/restrict (98.59436s) stopped
T12 >> 1462266921.91982603 Hartree integrate/restrict (98.59442s) started
T12 << 1462266922.23910999 Hartree integrate/restrict (98.91370s) stopped
T12 >> 1462266922.23923993 Atomic (637.98055s) started
T12 >> 1462266922.24098301 XC Correction (0.00883s) started
T12 << 1462266922.24100208 XC Correction (0.00885s) stopped
T12 << 1462266924.65267110 Atomic (640.39398s) stopped
T12 >> 1462266924.65281391 Communicate (2217.66107s) started
T12 << 1462266936.08853292 Communicate (2229.09678s) stopped
T12 << 1462266936.08856702 Hamiltonian (12376.13038s) stopped
T12 >> 1462266936.08858991 LCAO eigensolver (18116.02429s) started
T12 >> 1462266936.08860302 Potential matrix (274.93449s) started
T12 << 1462266937.03820395 Potential matrix (275.88409s) stopped
T12 >> 1462266937.03828907 DistributedAtomicCorrection (108.18571s) started
T12 << 1462266937.44025493 DistributedAtomicCorrection (108.58768s) stopped
T12 >> 1462266937.44030190 Distribute overlap matrix (1972.53723s) started
T12 >> 1462266937.44033194 blocked summation (1114.80230s) started
T12 << 1462266941.42811990 blocked summation (1118.79009s) stopped
T12 >> 1462266941.43818998 Scalapack redistribute (854.92356s) started
T12 << 1462266944.56907392 Scalapack redistribute (858.05445s) stopped
T12 << 1462266944.56917906 Distribute overlap matrix (1979.66611s) stopped
T12 >> 1462266944.57350492 Blacs Orbital Layouts (15264.82626s) started
T12 >> 1462266944.58247495 General diagonalize (15203.35092s) started
T12 << 1462266998.98625803 General diagonalize (15257.75470s) stopped
T12 >> 1462266998.98630500 Redistribute coefs (2.28245s) started
T12 << 1462266998.99362612 Redistribute coefs (2.28977s) stopped
T12 >> 1462266998.99370289 Send coefs to domains (56.65052s) started
T12 << 1462266999.16115999 Send coefs to domains (56.81797s) stopped
T12 << 1462266999.16149807 Blacs Orbital Layouts (15319.41426s) stopped
T12 >> 1462266999.16152501 Calculate projections (494.13947s) started
T12 << 1462267000.93087792 Calculate projections (495.90882s) stopped
T12 << 1462267000.93124104 LCAO eigensolver (18180.86694s) stopped
T12 >> 1462267004.10327005 Density (4395.59759s) started
T12 >> 1462267004.10328507 Pseudo density (3413.65932s) started
T12 >> 1462267004.10526705 Calculate density matrix (3208.36626s) started
T12 << 1462267016.05471992 Calculate density matrix (3220.31572s) stopped
T12 >> 1462267016.05476809 Construct density (199.85828s) started
T12 << 1462267016.79831100 Construct density (200.60182s) stopped
T12 >> 1462267016.81306005 Symmetrize density (0.02285s) started
T12 << 1462267016.81312799 Symmetrize density (0.02292s) stopped
T12 << 1462267016.81519890 Pseudo density (3426.37124s) stopped
T12 >> 1462267016.81525493 Atomic density matrices (862.34187s) started
T12 << 1462267020.23697209 Atomic density matrices (865.76359s) stopped
T12 >> 1462267020.23700404 Multipole moments (2.69604s) started
T12 << 1462267020.24902606 Multipole moments (2.70807s) stopped
T12 >> 1462267020.24905610 Normalize (1.84610s) started
T12 << 1462267020.25515199 Normalize (1.85219s) stopped
T12 >> 1462267020.25520492 Mix (115.03401s) started
T12 << 1462267020.64625001 Mix (115.42506s) stopped
T12 << 1462267020.64633203 Density (4412.14065s) stopped
T12 >> 1462267020.64636707 Hamiltonian (12376.13040s) started
T12 >> 1462267020.64638495 vbar (7.45144s) started
T12 << 1462267020.67346001 vbar (7.47851s) stopped
T12 >> 1462267020.67355490 XC 3D grid (7623.72319s) started
T12 >> 1462267021.22161698 van der Waals (7366.93180s) started
T12 >> 1462267021.33173800 semilocal (1551.95146s) started
T12 << 1462267027.13796902 semilocal (1557.75769s) stopped
T12 >> 1462267027.21674490 redistribute (790.35992s) started
T12 << 1462267028.22398591 redistribute (791.36716s) stopped
T12 >> 1462267028.22405410 libvdwxc nonlocal (4973.26245s) started
T12 << 1462267046.57422400 libvdwxc nonlocal (4991.61262s) stopped
T12 >> 1462267046.57428288 redistribute (791.36722s) started
T12 << 1462267049.11571693 redistribute (793.90865s) stopped
T12 << 1462267049.11690998 van der Waals (7394.82709s) stopped
T12 << 1462267049.57887793 XC 3D grid (7652.62851s) stopped
T12 >> 1462267049.57891703 Poisson (1776.42720s) started
T12 << 1462267055.44750905 Poisson (1782.29579s) stopped
T12 >> 1462267055.44757795 Hartree integrate/restrict (98.91373s) started
T12 << 1462267055.49255896 Hartree integrate/restrict (98.95871s) stopped
T12 >> 1462267055.49259996 Hartree integrate/restrict (98.95874s) started
T12 << 1462267055.83341694 Hartree integrate/restrict (99.29955s) stopped
T12 >> 1462267055.83356810 Atomic (640.39401s) started
T12 >> 1462267055.83520198 XC Correction (0.00886s) started
T12 << 1462267055.83521795 XC Correction (0.00888s) stopped
T12 << 1462267058.22873306 Atomic (642.78917s) stopped
T12 >> 1462267058.22886205 Communicate (2229.09681s) started
T12 << 1462267069.65638208 Communicate (2240.52433s) stopped
T12 << 1462267069.65641904 Hamiltonian (12425.14045s) stopped
T12 >> 1462267069.65644312 LCAO eigensolver (18180.86696s) started
T12 >> 1462267069.65645599 Potential matrix (275.88414s) started
T12 << 1462267070.60146689 Potential matrix (276.82916s) stopped
T12 >> 1462267070.60155010 DistributedAtomicCorrection (108.58772s) started
T12 << 1462267070.99874592 DistributedAtomicCorrection (108.98491s) stopped
T12 >> 1462267070.99879599 Distribute overlap matrix (1979.66612s) started
T12 >> 1462267070.99882603 blocked summation (1118.79014s) started
T12 << 1462267074.96904206 blocked summation (1122.76036s) stopped
T12 >> 1462267074.97821999 Scalapack redistribute (858.05451s) started
T12 << 1462267078.09212708 Scalapack redistribute (861.16842s) stopped
T12 << 1462267078.09223604 Distribute overlap matrix (1986.75956s) stopped
T12 >> 1462267078.09662390 Blacs Orbital Layouts (15319.41428s) started
T12 >> 1462267078.10557008 General diagonalize (15257.75474s) started
T12 << 1462267132.90593696 General diagonalize (15312.55510s) stopped
T12 >> 1462267132.90598202 Redistribute coefs (2.28984s) started
T12 << 1462267132.91377592 Redistribute coefs (2.29763s) stopped
T12 >> 1462267132.91384697 Send coefs to domains (56.81800s) started
T12 << 1462267132.99978399 Send coefs to domains (56.90394s) stopped
T12 << 1462267133.00011897 Blacs Orbital Layouts (15374.31777s) stopped
T12 >> 1462267133.00014710 Calculate projections (495.90887s) started
T12 << 1462267134.77101898 Calculate projections (497.67974s) stopped
T12 << 1462267134.77120209 LCAO eigensolver (18245.98172s) stopped
T12 >> 1462267137.94136596 Density (4412.14066s) started
T12 >> 1462267137.94138098 Pseudo density (3426.37128s) started
T12 >> 1462267137.94329405 Calculate density matrix (3220.31575s) started
T12 << 1462267149.87784505 Calculate density matrix (3232.25030s) stopped
T12 >> 1462267149.87789202 Construct density (200.60187s) started
T12 << 1462267150.61957908 Construct density (201.34356s) stopped
T12 >> 1462267150.63364601 Symmetrize density (0.02293s) started
T12 << 1462267150.63370895 Symmetrize density (0.02299s) stopped
T12 << 1462267150.63580203 Pseudo density (3439.06570s) stopped
T12 >> 1462267150.63585901 Atomic density matrices (865.76361s) started
T12 << 1462267154.11047006 Atomic density matrices (869.23822s) stopped
T12 >> 1462267154.11050296 Multipole moments (2.70808s) started
T12 << 1462267154.12252808 Multipole moments (2.72011s) stopped
T12 >> 1462267154.12255692 Normalize (1.85223s) started
T12 << 1462267154.12875795 Normalize (1.85843s) stopped
T12 >> 1462267154.12881088 Mix (115.42514s) started
T12 << 1462267154.57500410 Mix (115.87133s) stopped
T12 << 1462267154.57506108 Density (4428.77436s) stopped
T12 >> 1462267154.57508707 Hamiltonian (12425.14046s) started
T12 >> 1462267154.57510209 vbar (7.47857s) started
T12 << 1462267154.59824610 vbar (7.50171s) stopped
T12 >> 1462267154.59839010 XC 3D grid (7652.62854s) started
T12 >> 1462267155.09452605 van der Waals (7394.82712s) started
T12 >> 1462267155.20217896 semilocal (1557.75780s) started
T12 << 1462267161.01981401 semilocal (1563.57543s) stopped
T12 >> 1462267161.09898496 redistribute (793.90869s) started
T12 << 1462267162.08889508 redistribute (794.89860s) stopped
T12 >> 1462267162.08893800 libvdwxc nonlocal (4991.61267s) started
T12 << 1462267180.25009489 libvdwxc nonlocal (5009.77382s) stopped
T12 >> 1462267180.25015593 redistribute (794.89863s) started
T12 << 1462267182.86164308 redistribute (797.51012s) stopped
T12 << 1462267182.86313391 van der Waals (7422.59572s) stopped
T12 << 1462267183.32591105 XC 3D grid (7681.35606s) stopped
T12 >> 1462267183.32595301 Poisson (1782.29585s) started
T12 << 1462267189.02926207 Poisson (1787.99916s) stopped
T12 >> 1462267189.02933407 Hartree integrate/restrict (99.29960s) started
T12 << 1462267189.07205391 Hartree integrate/restrict (99.34232s) stopped
T12 >> 1462267189.07210588 Hartree integrate/restrict (99.34235s) started
T12 << 1462267189.38505292 Hartree integrate/restrict (99.65529s) stopped
T12 >> 1462267189.38521194 Atomic (642.78919s) started
T12 >> 1462267189.38689494 XC Correction (0.00889s) started
T12 << 1462267189.38690901 XC Correction (0.00890s) stopped
T12 << 1462267191.80663204 Atomic (645.21061s) stopped
T12 >> 1462267191.80676293 Communicate (2240.52435s) started
T12 << 1462267203.23944998 Communicate (2251.95704s) stopped
T12 << 1462267203.23949599 Hamiltonian (12473.80487s) stopped
T12 >> 1462267203.23952508 LCAO eigensolver (18245.98174s) started
T12 >> 1462267203.23953795 Potential matrix (276.82921s) started
T12 << 1462267204.19096398 Potential matrix (277.78063s) stopped
T12 >> 1462267204.19105697 DistributedAtomicCorrection (108.98496s) started
T12 << 1462267204.60159206 DistributedAtomicCorrection (109.39549s) stopped
T12 >> 1462267204.60163999 Distribute overlap matrix (1986.75958s) started
T12 >> 1462267204.60167694 blocked summation (1122.76041s) started
T12 << 1462267208.54933000 blocked summation (1126.70806s) stopped
T12 >> 1462267208.55882311 Scalapack redistribute (861.16848s) started
T12 << 1462267211.68882489 Scalapack redistribute (864.29848s) stopped
T12 << 1462267211.68894410 Distribute overlap matrix (1993.84688s) stopped
T12 >> 1462267211.69363189 Blacs Orbital Layouts (15374.31779s) started
T12 >> 1462267211.70270300 General diagonalize (15312.55514s) started
T12 << 1462267266.71109390 General diagonalize (15367.56353s) stopped
T12 >> 1462267266.71114206 Redistribute coefs (2.29769s) started
T12 << 1462267266.71871996 Redistribute coefs (2.30527s) stopped
T12 >> 1462267266.71880507 Send coefs to domains (56.90397s) started
T12 << 1462267266.83362293 Send coefs to domains (57.01879s) stopped
T12 << 1462267266.83424306 Blacs Orbital Layouts (15429.45840s) stopped
T12 >> 1462267266.83427191 Calculate projections (497.67979s) started
T12 << 1462267268.60321307 Calculate projections (499.44873s) stopped
T12 << 1462267268.60345101 LCAO eigensolver (18311.34566s) stopped
T12 >> 1462267271.79226208 Density (4428.77437s) started
T12 >> 1462267271.79227710 Pseudo density (3439.06575s) started
T12 >> 1462267271.79449201 Calculate density matrix (3232.25033s) started
T12 << 1462267283.81541705 Calculate density matrix (3244.27126s) stopped
T12 >> 1462267283.81546593 Construct density (201.34361s) started
T12 << 1462267284.55878997 Construct density (202.08693s) stopped
T12 >> 1462267284.57276893 Symmetrize density (0.02301s) started
T12 << 1462267284.57283807 Symmetrize density (0.02308s) stopped
T12 << 1462267284.57491302 Pseudo density (3451.84838s) stopped
T12 >> 1462267284.57497096 Atomic density matrices (869.23825s) started
T12 << 1462267288.05775690 Atomic density matrices (872.72103s) stopped
T12 >> 1462267288.05778909 Multipole moments (2.72012s) started
T12 << 1462267288.06979203 Multipole moments (2.73213s) stopped
T12 >> 1462267288.06982303 Normalize (1.85847s) started
T12 << 1462267288.07603502 Normalize (1.86468s) stopped
T12 >> 1462267288.07611609 Mix (115.87139s) started
T12 << 1462267288.50071096 Mix (116.29598s) stopped
T12 << 1462267288.50076199 Density (4445.48287s) stopped
T12 >> 1462267288.50078797 Hamiltonian (12473.80488s) started
T12 >> 1462267288.50080705 vbar (7.50180s) started
T12 << 1462267288.52317405 vbar (7.52417s) stopped
T12 >> 1462267288.52330995 XC 3D grid (7681.35610s) started
T12 >> 1462267289.03795099 van der Waals (7422.59575s) started
T12 >> 1462267289.14690495 semilocal (1563.57554s) started
T12 << 1462267294.95590901 semilocal (1569.38455s) stopped
T12 >> 1462267295.04099393 redistribute (797.51017s) started
T12 << 1462267296.03648400 redistribute (798.50566s) stopped
T12 >> 1462267296.03652692 libvdwxc nonlocal (5009.77387s) started
T12 << 1462267314.53903604 libvdwxc nonlocal (5028.27638s) stopped
T12 >> 1462267314.53910303 redistribute (798.50570s) started
T12 << 1462267317.12189889 redistribute (801.08849s) stopped
T12 << 1462267317.12311006 van der Waals (7450.68091s) stopped
T12 << 1462267317.58291006 XC 3D grid (7710.41570s) stopped
T12 >> 1462267317.58295989 Poisson (1787.99921s) started
T12 << 1462267320.53158402 Poisson (1790.94783s) stopped
T12 >> 1462267320.53171396 Hartree integrate/restrict (99.65534s) started
T12 << 1462267320.58075190 Hartree integrate/restrict (99.70438s) stopped
T12 >> 1462267320.58085990 Hartree integrate/restrict (99.70446s) started
T12 << 1462267320.90383601 Hartree integrate/restrict (100.02743s) stopped
T12 >> 1462267320.90396690 Atomic (645.21064s) started
T12 >> 1462267320.90559697 XC Correction (0.00891s) started
T12 << 1462267320.90561891 XC Correction (0.00894s) stopped
T12 << 1462267323.32355905 Atomic (647.63023s) stopped
T12 >> 1462267323.32365799 Communicate (2251.95707s) started
T12 << 1462267334.74176192 Communicate (2263.37517s) stopped
T12 << 1462267334.74180102 Hamiltonian (12520.04590s) stopped
T12 >> 1462267334.74182606 LCAO eigensolver (18311.34568s) started
T12 >> 1462267334.74183989 Potential matrix (277.78068s) started
T12 << 1462267335.70077801 Potential matrix (278.73962s) stopped
T12 >> 1462267335.70085692 DistributedAtomicCorrection (109.39553s) started
T12 << 1462267336.10375810 DistributedAtomicCorrection (109.79843s) stopped
T12 >> 1462267336.10380912 Distribute overlap matrix (1993.84689s) started
T12 >> 1462267336.10384107 blocked summation (1126.70812s) started
T12 << 1462267340.08341599 blocked summation (1130.68769s) stopped
T12 >> 1462267340.09302998 Scalapack redistribute (864.29854s) started
T12 << 1462267343.22041392 Scalapack redistribute (867.42593s) stopped
T12 << 1462267343.22051692 Distribute overlap matrix (2000.96360s) stopped
T12 >> 1462267343.22459507 Blacs Orbital Layouts (15429.45842s) started
T12 >> 1462267343.23313808 General diagonalize (15367.56357s) started
T12 << 1462267397.81281304 General diagonalize (15422.14325s) stopped
T12 >> 1462267397.81285810 Redistribute coefs (2.30533s) started
T12 << 1462267397.82020998 Redistribute coefs (2.31268s) stopped
T12 >> 1462267397.82030010 Send coefs to domains (57.01883s) started
T12 << 1462267397.95377994 Send coefs to domains (57.15231s) stopped
T12 << 1462267397.95413899 Blacs Orbital Layouts (15484.18796s) stopped
T12 >> 1462267397.95416689 Calculate projections (499.44879s) started
T12 << 1462267399.72347999 Calculate projections (501.21810s) stopped
T12 << 1462267399.72366595 LCAO eigensolver (18376.32752s) stopped
T12 >> 1462267402.92016292 Density (4445.48289s) started
T12 >> 1462267402.92017698 Pseudo density (3451.84843s) started
T12 >> 1462267402.92234302 Calculate density matrix (3244.27130s) started
T12 << 1462267414.84058595 Calculate density matrix (3256.18954s) stopped
T12 >> 1462267414.84063601 Construct density (202.08699s) started
T12 << 1462267415.58385801 Construct density (202.83021s) stopped
T12 >> 1462267415.59776306 Symmetrize density (0.02310s) started
T12 << 1462267415.59782410 Symmetrize density (0.02316s) stopped
T12 << 1462267415.59991693 Pseudo density (3464.52817s) stopped
T12 >> 1462267415.59997392 Atomic density matrices (872.72106s) started
T12 << 1462267418.96756506 Atomic density matrices (876.08865s) stopped
T12 >> 1462267418.96759701 Multipole moments (2.73214s) started
T12 << 1462267418.97898602 Multipole moments (2.74353s) stopped
T12 >> 1462267418.97901511 Normalize (1.86475s) started
T12 << 1462267418.98524690 Normalize (1.87098s) stopped
T12 >> 1462267418.98529911 Mix (116.29603s) started
T12 << 1462267419.41566300 Mix (116.72640s) stopped
T12 << 1462267419.41570902 Density (4461.97843s) stopped
T12 >> 1462267419.41573596 Hamiltonian (12520.04591s) started
T12 >> 1462267419.41575098 vbar (7.52425s) started
T12 << 1462267419.43890691 vbar (7.54740s) stopped
T12 >> 1462267419.43904805 XC 3D grid (7710.41573s) started
T12 >> 1462267419.93859410 van der Waals (7450.68094s) started
T12 >> 1462267420.04649591 semilocal (1569.38463s) started
T12 << 1462267425.84522390 semilocal (1575.18336s) stopped
T12 >> 1462267425.92676210 redistribute (801.08853s) started
T12 << 1462267426.94241810 redistribute (802.10418s) stopped
T12 >> 1462267426.94246006 libvdwxc nonlocal (5028.27643s) started
T12 << 1462267445.59515905 libvdwxc nonlocal (5046.92913s) stopped
T12 >> 1462267445.59520793 redistribute (802.10422s) started
T12 << 1462267447.25849199 redistribute (803.76750s) stopped
T12 << 1462267447.25931907 van der Waals (7478.00166s) stopped
T12 << 1462267447.71845603 XC 3D grid (7738.69514s) stopped
T12 >> 1462267447.71852112 Poisson (1790.94793s) started
T12 << 1462267452.06639791 Poisson (1795.29581s) stopped
T12 >> 1462267452.06650090 Hartree integrate/restrict (100.02746s) started
T12 << 1462267452.11496091 Hartree integrate/restrict (100.07592s) stopped
T12 >> 1462267452.11506391 Hartree integrate/restrict (100.07600s) started
T12 << 1462267452.44810390 Hartree integrate/restrict (100.40904s) stopped
T12 >> 1462267452.44826698 Atomic (647.63025s) started
T12 >> 1462267452.44991112 XC Correction (0.00895s) started
T12 << 1462267452.44992805 XC Correction (0.00897s) stopped
T12 << 1462267454.86108804 Atomic (650.04307s) stopped
T12 >> 1462267454.86117601 Communicate (2263.37520s) started
T12 << 1462267466.32274103 Communicate (2274.83676s) stopped
T12 << 1462267466.32277799 Hamiltonian (12566.95295s) stopped
T12 >> 1462267466.32280707 LCAO eigensolver (18376.32754s) started
T12 >> 1462267466.32281899 Potential matrix (278.73967s) started
T12 << 1462267467.26971412 Potential matrix (279.68656s) stopped
T12 >> 1462267467.26978803 DistributedAtomicCorrection (109.79847s) started
T12 << 1462267467.67176700 DistributedAtomicCorrection (110.20045s) stopped
T12 >> 1462267467.67181802 Distribute overlap matrix (2000.96361s) started
T12 >> 1462267467.67184806 blocked summation (1130.68772s) started
T12 << 1462267471.60595608 blocked summation (1134.62183s) stopped
T12 >> 1462267471.61510110 Scalapack redistribute (867.42598s) started
T12 << 1462267474.76977301 Scalapack redistribute (870.58065s) stopped
T12 << 1462267474.76988292 Distribute overlap matrix (2008.06168s) stopped
T12 >> 1462267474.77389193 Blacs Orbital Layouts (15484.18798s) started
T12 >> 1462267474.78249598 General diagonalize (15422.14328s) started
T12 << 1462267526.14259195 General diagonalize (15473.50338s) stopped
T12 >> 1462267526.14264894 Redistribute coefs (2.31276s) started
T12 << 1462267526.15051794 Redistribute coefs (2.32063s) stopped
T12 >> 1462267526.15056705 Send coefs to domains (57.15234s) started
T12 << 1462267526.45261693 Send coefs to domains (57.45439s) stopped
T12 << 1462267526.45305800 Blacs Orbital Layouts (15535.86715s) stopped
T12 >> 1462267526.45308900 Calculate projections (501.21816s) started
T12 << 1462267528.23391891 Calculate projections (502.99899s) stopped
T12 << 1462267528.23416305 LCAO eigensolver (18438.23890s) stopped
T12 >> 1462267531.40993094 Density (4461.97845s) started
T12 >> 1462267531.40994692 Pseudo density (3464.52822s) started
T12 >> 1462267531.41243601 Calculate density matrix (3256.18957s) started
T12 << 1462267543.33897805 Calculate density matrix (3268.11611s) stopped
T12 >> 1462267543.33903503 Construct density (202.83026s) started
T12 << 1462267544.08315396 Construct density (203.57438s) stopped
T12 >> 1462267544.09947491 Symmetrize density (0.02318s) started
T12 << 1462267544.09955192 Symmetrize density (0.02325s) stopped
T12 << 1462267544.10200500 Pseudo density (3477.22028s) stopped
T12 >> 1462267544.10207295 Atomic density matrices (876.08868s) started
T12 << 1462267547.52577400 Atomic density matrices (879.51238s) stopped
T12 >> 1462267547.52581096 Multipole moments (2.74355s) started
T12 << 1462267547.53781199 Multipole moments (2.75555s) stopped
T12 >> 1462267547.53784800 Normalize (1.87102s) started
T12 << 1462267547.54554105 Normalize (1.87871s) stopped
T12 >> 1462267547.54558802 Mix (116.72644s) started
T12 << 1462267548.00648999 Mix (117.18734s) stopped
T12 << 1462267548.00654292 Density (4478.57506s) stopped
T12 >> 1462267548.00656891 Hamiltonian (12566.95296s) started
T12 >> 1462267548.00658393 vbar (7.54749s) started
T12 << 1462267548.03624201 vbar (7.57715s) stopped
T12 >> 1462267548.03639007 XC 3D grid (7738.69520s) started
T12 >> 1462267548.51259589 van der Waals (7478.00169s) started
T12 >> 1462267548.62439489 semilocal (1575.18345s) started
T12 << 1462267554.38043189 semilocal (1580.93949s) stopped
T12 >> 1462267554.45522690 redistribute (803.76753s) started
T12 << 1462267555.47741508 redistribute (804.78972s) stopped
T12 >> 1462267555.47748709 libvdwxc nonlocal (5046.92917s) started
T12 << 1462267573.74075603 libvdwxc nonlocal (5065.19243s) stopped
T12 >> 1462267573.74081898 redistribute (804.78978s) started
T12 << 1462267575.73069692 redistribute (806.77966s) stopped
T12 << 1462267575.73186111 van der Waals (7505.22095s) stopped
T12 << 1462267576.18761396 XC 3D grid (7766.84642s) stopped
T12 >> 1462267576.18766189 Poisson (1795.29589s) started
T12 << 1462267580.56713796 Poisson (1799.67537s) stopped
T12 >> 1462267580.56721306 Hartree integrate/restrict (100.40909s) started
T12 << 1462267580.60761404 Hartree integrate/restrict (100.44949s) stopped
T12 >> 1462267580.60769892 Hartree integrate/restrict (100.44954s) started
T12 << 1462267580.93700194 Hartree integrate/restrict (100.77884s) stopped
T12 >> 1462267580.93717408 Atomic (650.04309s) started
T12 >> 1462267580.93889689 XC Correction (0.00898s) started
T12 << 1462267580.93891597 XC Correction (0.00900s) stopped
T12 << 1462267583.34669805 Atomic (652.45262s) stopped
T12 >> 1462267583.34679294 Communicate (2274.83679s) started
T12 << 1462267594.78401089 Communicate (2286.27400s) stopped
T12 << 1462267594.78405404 Hamiltonian (12613.73045s) stopped
T12 >> 1462267594.78408289 LCAO eigensolver (18438.23892s) started
T12 >> 1462267594.78409696 Potential matrix (279.68661s) started
T12 << 1462267595.73589396 Potential matrix (280.63841s) stopped
T12 >> 1462267595.73598909 DistributedAtomicCorrection (110.20050s) started
T12 << 1462267596.14298701 DistributedAtomicCorrection (110.60749s) stopped
T12 >> 1462267596.14303708 Distribute overlap matrix (2008.06169s) started
T12 >> 1462267596.14306903 blocked summation (1134.62186s) started
T12 << 1462267600.13601208 blocked summation (1138.61481s) stopped
T12 >> 1462267600.14558506 Scalapack redistribute (870.58072s) started
T12 << 1462267603.23385811 Scalapack redistribute (873.66899s) stopped
T12 << 1462267603.23397803 Distribute overlap matrix (2015.15263s) stopped
T12 >> 1462267603.23879504 Blacs Orbital Layouts (15535.86717s) started
T12 >> 1462267603.24794412 General diagonalize (15473.50343s) started
T12 << 1462267658.14848995 General diagonalize (15528.40397s) stopped
T12 >> 1462267658.14856791 Redistribute coefs (2.32066s) started
T12 << 1462267658.15671301 Redistribute coefs (2.32881s) stopped
T12 >> 1462267658.15678811 Send coefs to domains (57.45443s) started
T12 << 1462267658.36381292 Send coefs to domains (57.66146s) stopped
T12 << 1462267658.36423206 Blacs Orbital Layouts (15590.99260s) stopped
T12 >> 1462267658.36426210 Calculate projections (502.99905s) started
T12 << 1462267660.14224792 Calculate projections (504.77703s) stopped
T12 << 1462267660.14244890 LCAO eigensolver (18503.59728s) stopped
T12 >> 1462267663.33013797 Density (4478.57507s) started
T12 >> 1462267663.33015394 Pseudo density (3477.22033s) started
T12 >> 1462267663.33272290 Calculate density matrix (3268.11615s) started
T12 << 1462267675.23619509 Calculate density matrix (3280.01962s) stopped
T12 >> 1462267675.23625207 Construct density (203.57444s) started
T12 << 1462267675.97964811 Construct density (204.31784s) stopped
T12 >> 1462267675.99588203 Symmetrize density (0.02327s) started
T12 << 1462267675.99594903 Symmetrize density (0.02334s) stopped
T12 << 1462267675.99839211 Pseudo density (3489.88857s) stopped
T12 >> 1462267675.99846005 Atomic density matrices (879.51240s) started
T12 << 1462267679.41439199 Atomic density matrices (882.92834s) stopped
T12 >> 1462267679.41442895 Multipole moments (2.75557s) started
T12 << 1462267679.42584610 Multipole moments (2.76698s) stopped
T12 >> 1462267679.42587996 Normalize (1.87874s) started
T12 << 1462267679.43281198 Normalize (1.88567s) stopped
T12 >> 1462267679.43285799 Mix (117.18739s) started
T12 << 1462267679.85260892 Mix (117.60714s) stopped
T12 << 1462267679.85265708 Density (4495.09759s) stopped
T12 >> 1462267679.85268211 Hamiltonian (12613.73046s) started
T12 >> 1462267679.85269809 vbar (7.57723s) started
T12 << 1462267679.88069391 vbar (7.60523s) stopped
T12 >> 1462267679.88079810 XC 3D grid (7766.84646s) started
T12 >> 1462267680.35266304 van der Waals (7505.22098s) started
T12 >> 1462267680.46828389 semilocal (1580.93959s) started
T12 << 1462267686.26826000 semilocal (1586.73956s) stopped
T12 >> 1462267686.34312797 redistribute (806.77971s) started
T12 << 1462267687.34876299 redistribute (807.78535s) stopped
T12 >> 1462267687.34881306 libvdwxc nonlocal (5065.19248s) started
T12 << 1462267705.17695904 libvdwxc nonlocal (5083.02063s) stopped
T12 >> 1462267705.17701602 redistribute (807.78539s) started
T12 << 1462267707.08784103 redistribute (809.69621s) stopped
T12 << 1462267707.08899403 van der Waals (7531.95731s) stopped
T12 << 1462267707.54760695 XC 3D grid (7794.51327s) stopped
T12 >> 1462267707.54765391 Poisson (1799.67542s) started
T12 << 1462267711.86210990 Poisson (1803.98988s) stopped
T12 >> 1462267711.86219597 Hartree integrate/restrict (100.77890s) started
T12 << 1462267711.90229988 Hartree integrate/restrict (100.81900s) stopped
T12 >> 1462267711.90237808 Hartree integrate/restrict (100.81905s) started
T12 << 1462267712.22666407 Hartree integrate/restrict (101.14333s) stopped
T12 >> 1462267712.22685099 Atomic (652.45264s) started
T12 >> 1462267712.22851491 XC Correction (0.00901s) started
T12 << 1462267712.22852993 XC Correction (0.00902s) stopped
T12 << 1462267714.64265800 Atomic (654.86845s) stopped
T12 >> 1462267714.64275098 Communicate (2286.27403s) started
T12 << 1462267726.07216096 Communicate (2297.70344s) stopped
T12 << 1462267726.07220697 Hamiltonian (12659.94999s) stopped
T12 >> 1462267726.07223392 LCAO eigensolver (18503.59730s) started
T12 >> 1462267726.07224798 Potential matrix (280.63846s) started
T12 << 1462267727.02893996 Potential matrix (281.59515s) stopped
T12 >> 1462267727.02902508 DistributedAtomicCorrection (110.60753s) started
T12 << 1462267727.43235898 DistributedAtomicCorrection (111.01087s) stopped
T12 >> 1462267727.43240809 Distribute overlap matrix (2015.15265s) started
T12 >> 1462267727.43244004 blocked summation (1138.61487s) started
T12 << 1462267731.31252098 blocked summation (1142.49495s) stopped
T12 >> 1462267731.32164407 Scalapack redistribute (873.66905s) started
T12 << 1462267734.61112309 Scalapack redistribute (876.95853s) stopped
T12 << 1462267734.61123800 Distribute overlap matrix (2022.33148s) stopped
T12 >> 1462267734.61562800 Blacs Orbital Layouts (15590.99262s) started
T12 >> 1462267734.62453103 General diagonalize (15528.40404s) started
T12 << 1462267789.41895103 General diagonalize (15583.19846s) stopped
T12 >> 1462267789.41899705 Redistribute coefs (2.32887s) started
T12 << 1462267789.42687297 Redistribute coefs (2.33674s) stopped
T12 >> 1462267789.42694592 Send coefs to domains (57.66150s) started
T12 << 1462267789.66833591 Send coefs to domains (57.90289s) stopped
T12 << 1462267789.66885805 Blacs Orbital Layouts (15646.04585s) stopped
T12 >> 1462267789.66888499 Calculate projections (504.77709s) started
T12 << 1462267791.43779111 Calculate projections (506.54600s) stopped
T12 << 1462267791.43802309 LCAO eigensolver (18568.96309s) stopped
T12 >> 1462267794.62508106 Density (4495.09760s) started
T12 >> 1462267794.62509704 Pseudo density (3489.88862s) started
T12 >> 1462267794.62733293 Calculate density matrix (3280.01966s) started
T12 << 1462267806.59521008 Calculate density matrix (3291.98754s) stopped
T12 >> 1462267806.59525704 Construct density (204.31790s) started
T12 << 1462267807.33856297 Construct density (205.06120s) stopped
T12 >> 1462267807.35269308 Symmetrize density (0.02336s) started
T12 << 1462267807.35275102 Symmetrize density (0.02342s) stopped
T12 << 1462267807.35483003 Pseudo density (3502.61835s) stopped
T12 >> 1462267807.35488796 Atomic density matrices (882.92836s) started
T12 << 1462267810.72101092 Atomic density matrices (886.29449s) stopped
T12 >> 1462267810.72104502 Multipole moments (2.76700s) started
T12 << 1462267810.73308110 Multipole moments (2.77904s) stopped
T12 >> 1462267810.73312998 Normalize (1.88571s) started
T12 << 1462267810.73930597 Normalize (1.89189s) stopped
T12 >> 1462267810.73935890 Mix (117.60719s) started
T12 << 1462267811.20379090 Mix (118.07162s) stopped
T12 << 1462267811.20383692 Density (4511.67636s) stopped
T12 >> 1462267811.20386100 Hamiltonian (12659.95000s) started
T12 >> 1462267811.20387602 vbar (7.60528s) started
T12 << 1462267811.23625302 vbar (7.63766s) stopped
T12 >> 1462267811.23639703 XC 3D grid (7794.51330s) started
T12 >> 1462267811.71655202 van der Waals (7531.95734s) started
T12 >> 1462267811.82711506 semilocal (1586.73965s) started
T12 << 1462267817.54854608 semilocal (1592.46108s) stopped
T12 >> 1462267817.62419510 redistribute (809.69626s) started
T12 << 1462267818.66880298 redistribute (810.74086s) stopped
T12 >> 1462267818.66884589 libvdwxc nonlocal (5083.02067s) started
T12 << 1462267836.98368096 libvdwxc nonlocal (5101.33551s) stopped
T12 >> 1462267836.98374605 redistribute (810.74090s) started
T12 << 1462267838.74133110 redistribute (812.49848s) stopped
T12 << 1462267838.74235702 van der Waals (7558.98314s) stopped
T12 << 1462267839.19988990 XC 3D grid (7822.47680s) stopped
T12 >> 1462267839.19993806 Poisson (1803.98994s) started
T12 << 1462267843.56004405 Poisson (1808.35005s) stopped
T12 >> 1462267843.56015611 Hartree integrate/restrict (101.14339s) started
T12 << 1462267843.61027193 Hartree integrate/restrict (101.19351s) stopped
T12 >> 1462267843.61032796 Hartree integrate/restrict (101.19354s) started
T12 << 1462267843.92362595 Hartree integrate/restrict (101.50684s) stopped
T12 >> 1462267843.92381096 Atomic (654.86848s) started
T12 >> 1462267843.92540789 XC Correction (0.00903s) started
T12 << 1462267843.92542291 XC Correction (0.00905s) stopped
T12 << 1462267846.33920193 Atomic (657.28387s) stopped
T12 >> 1462267846.33929110 Communicate (2297.70347s) started
T12 << 1462267857.76369309 Communicate (2309.12788s) stopped
T12 << 1462267857.76372910 Hamiltonian (12706.50987s) stopped
T12 >> 1462267857.76375604 LCAO eigensolver (18568.96311s) started
T12 >> 1462267857.76376891 Potential matrix (281.59520s) started
T12 << 1462267858.71923590 Potential matrix (282.55067s) stopped
T12 >> 1462267858.71932292 DistributedAtomicCorrection (111.01091s) started
T12 << 1462267859.12527394 DistributedAtomicCorrection (111.41686s) stopped
T12 >> 1462267859.12532091 Distribute overlap matrix (2022.33149s) started
T12 >> 1462267859.12535000 blocked summation (1142.49498s) started
T12 << 1462267863.07322407 blocked summation (1146.44286s) stopped
T12 >> 1462267863.08244300 Scalapack redistribute (876.95859s) started
T12 << 1462267866.27333212 Scalapack redistribute (880.14948s) stopped
T12 << 1462267866.27341795 Distribute overlap matrix (2029.47959s) stopped
T12 >> 1462267866.27757597 Blacs Orbital Layouts (15646.04587s) started
T12 >> 1462267866.28582406 General diagonalize (15583.19849s) started
T12 << 1462267920.28536797 General diagonalize (15637.19804s) stopped
T12 >> 1462267920.28545189 Redistribute coefs (2.33680s) started
T12 << 1462267920.29384089 Redistribute coefs (2.34519s) stopped
T12 >> 1462267920.29389906 Send coefs to domains (57.90292s) started
T12 << 1462267920.77085805 Send coefs to domains (58.37988s) stopped
T12 << 1462267920.77145004 Blacs Orbital Layouts (15700.53975s) stopped
T12 >> 1462267920.77148008 Calculate projections (506.54604s) started
T12 << 1462267922.55103898 Calculate projections (508.32560s) stopped
T12 << 1462267922.55128098 LCAO eigensolver (18633.75064s) stopped
T12 << 1462267925.71335697 SCF-cycle (36789.99482s) stopped
T12 >> 1462267927.83555388 Force calculation (1342.73214s) started
T12 >> 1462267927.83563399 LCAO forces (1327.86842s) started
T12 >> 1462267927.83602095 Initial (0.00041s) started
T12 << 1462267927.83603191 Initial (0.00042s) stopped
T12 >> 1462267927.84199810 Get density matrix (702.25745s) started
T12 << 1462267936.99151611 Get density matrix (711.40697s) stopped
T12 >> 1462267936.99156809 Potential (106.68985s) started
T12 << 1462267942.96299601 Potential (112.66128s) stopped
T12 >> 1462267942.96305490 Get density matrix (711.40701s) started
T12 << 1462267973.49429989 Get density matrix (741.93826s) stopped
T12 >> 1462267973.49437094 Prepare TCI loop (37.13633s) started
T12 >> 1462267973.49491405 Get neighbors (33.78923s) started
T12 << 1462267975.48730993 Get neighbors (35.78162s) stopped
T12 >> 1462267975.48753691 broadcast dH (3.32773s) started
T12 << 1462267975.58258104 broadcast dH (3.42278s) stopped
T12 << 1462267975.58262610 Prepare TCI loop (39.22459s) stopped
T12 >> 1462267975.58264399 Not so complicated loop (2.07768s) started
T12 << 1462267975.70261598 Not so complicated loop (2.19765s) stopped
T12 >> 1462267975.82191396 Complicated loop (312.60985s) started
T12 << 1462267994.22534990 Complicated loop (331.01329s) stopped
T12 >> 1462267994.22629595 Wait for sum (164.93368s) started
T12 << 1462268003.17798805 Wait for sum (173.88537s) stopped
T12 << 1462268003.17803097 LCAO forces (1403.21082s) stopped
T12 << 1462268004.03070903 Force calculation (1418.92730s) stopped
T12 >> 1462268004.04872608 Initialization (2208.81933s) started
T12 << 1462268004.04889798 Initialization (2208.81950s) stopped
T12 >> 1462268004.04911590 Initialization (2208.81952s) started
T12 << 1462268004.04924512 Initialization (2208.81965s) stopped
T12 >> 1462268004.04937792 Initialization (2208.81966s) started
T12 << 1462268004.04950309 Initialization (2208.81978s) stopped
T12 >> 1462268024.40500903 Initialization (2208.81980s) started
T12 >> 1462268024.49280405 Basic WFS set positions (1.57192s) started
T12 >> 1462268024.49283099 Redistribute (0.00943s) started
T12 << 1462268024.49297690 Redistribute (0.00957s) stopped
T12 << 1462268024.57823205 Basic WFS set positions (1.65735s) stopped
T12 >> 1462268024.57825899 Basis functions set positions (31.97396s) started
T12 << 1462268026.38314009 Basis functions set positions (33.77884s) stopped
T12 >> 1462268026.38362408 TCI: Calculate S, T, P (271.92648s) started
T12 << 1462268041.26336789 TCI: Calculate S, T, P (286.80622s) stopped
T12 >> 1462268041.26342893 blocked summation (355.73000s) started
T12 << 1462268062.58188105 blocked summation (377.04845s) stopped
T12 >> 1462268062.59244490 Scalapack redistribute (130.07770s) started
T12 << 1462268071.87204599 Scalapack redistribute (139.35730s) stopped
T12 >> 1462268071.87313604 blocked summation (377.04855s) started
T12 << 1462268073.04570603 blocked summation (378.22112s) stopped
T12 >> 1462268073.05542302 Scalapack redistribute (139.35736s) started
T12 << 1462268073.27218795 Scalapack redistribute (139.57413s) stopped
T12 >> 1462268073.27410698 Redistribute (0.07493s) started
T12 << 1462268073.27465796 Redistribute (0.07548s) stopped
T12 >> 1462268074.92082810 Redistribute (0.07550s) started
T12 << 1462268074.92130709 Redistribute (0.07598s) stopped
T12 >> 1462268074.94064999 LCAO WFS Initialize (1378.54245s) started
T12 >> 1462268074.94068289 Density initialize from wavefunctions (255.40512s) started
T12 >> 1462268074.94493008 Calculate density matrix (178.28193s) started
T12 << 1462268084.79120588 Calculate density matrix (188.12821s) stopped
T12 >> 1462268084.79126310 Construct density (13.34372s) started
T12 << 1462268085.53511095 Construct density (14.08757s) stopped
T12 >> 1462268085.55049491 Symmetrize density (0.00144s) started
T12 << 1462268085.55056190 Symmetrize density (0.00151s) stopped
T12 << 1462268089.21967006 Density initialize from wavefunctions (269.68411s) stopped
T12 >> 1462268089.21996593 Hamiltonian (1122.21863s) started
T12 >> 1462268089.21998405 vbar (0.54434s) started
T12 << 1462268089.24525809 vbar (0.56961s) stopped
T12 >> 1462268089.24538207 XC 3D grid (546.07539s) started
T12 >> 1462268089.73722506 van der Waals (527.92207s) started
T12 >> 1462268089.84847903 semilocal (110.10740s) started
T12 << 1462268095.70715904 semilocal (115.96608s) stopped
T12 >> 1462268095.78401089 redistribute (62.91989s) started
T12 << 1462268096.72878098 redistribute (63.86466s) stopped
T12 >> 1462268096.72883391 libvdwxc nonlocal (351.24807s) started
T12 << 1462268115.21817088 libvdwxc nonlocal (369.73740s) stopped
T12 >> 1462268115.21826291 redistribute (63.86469s) started
T12 << 1462268118.00908494 redistribute (66.65552s) stopped
T12 << 1462268118.01011395 van der Waals (556.19496s) stopped
T12 << 1462268118.46984196 XC 3D grid (575.29985s) stopped
T12 >> 1462268118.46989107 Poisson (319.01818s) started
T12 << 1462268129.93171000 Poisson (330.48000s) stopped
T12 >> 1462268129.93178892 Hartree integrate/restrict (7.04060s) started
T12 << 1462268129.98061395 Hartree integrate/restrict (7.08943s) stopped
T12 >> 1462268129.98067307 Hartree integrate/restrict (7.08946s) started
T12 << 1462268130.29157400 Hartree integrate/restrict (7.40036s) stopped
T12 >> 1462268130.29173207 Atomic (44.64264s) started
T12 >> 1462268130.29373503 XC Correction (0.00077s) started
T12 << 1462268130.29375100 XC Correction (0.00078s) stopped
T12 << 1462268132.66421700 Atomic (47.01512s) stopped
T12 >> 1462268132.66438603 Communicate (204.86326s) started
T12 << 1462268146.40605807 Communicate (218.60493s) stopped
T12 << 1462268146.40609503 Hamiltonian (1179.40476s) stopped
T12 << 1462268146.40610909 LCAO WFS Initialize (1450.00791s) stopped
T12 << 1462268146.41814804 Initialization (2330.83294s) stopped
T12 >> 1462268146.44371009 SCF-cycle (36789.99484s) started
T12 >> 1462268146.44374609 LCAO eigensolver (18633.75066s) started
T12 >> 1462268146.44375896 Potential matrix (282.55072s) started
T12 << 1462268147.38846493 Potential matrix (283.49542s) stopped
T12 >> 1462268147.38853693 DistributedAtomicCorrection (111.41690s) started
T12 << 1462268147.77246809 DistributedAtomicCorrection (111.80083s) stopped
T12 >> 1462268147.77251697 Distribute overlap matrix (2029.47960s) started
T12 >> 1462268147.77254701 blocked summation (1146.44289s) started
T12 << 1462268151.99600410 blocked summation (1150.66634s) stopped
T12 >> 1462268152.00569105 Scalapack redistribute (880.14953s) started
T12 << 1462268155.27904510 Scalapack redistribute (883.42288s) stopped
T12 << 1462268155.27914906 Distribute overlap matrix (2036.98623s) stopped
T12 >> 1462268155.28388095 Blacs Orbital Layouts (15700.53977s) started
T12 >> 1462268155.29244995 General diagonalize (15637.19811s) started
T12 << 1462268207.00863290 General diagonalize (15688.91429s) stopped
T12 >> 1462268207.00867891 Redistribute coefs (2.34524s) started
T12 << 1462268207.01583290 Redistribute coefs (2.35239s) stopped
T12 >> 1462268207.01591301 Send coefs to domains (58.37992s) started
T12 << 1462268207.24945593 Send coefs to domains (58.61346s) stopped
T12 << 1462268207.24981809 Blacs Orbital Layouts (15752.50570s) stopped
T12 >> 1462268207.24984598 Calculate projections (508.32566s) started
T12 << 1462268209.01889610 Calculate projections (510.09471s) stopped
T12 << 1462268209.01908803 LCAO eigensolver (18696.32600s) stopped
T12 >> 1462268212.21575308 Density (4511.67637s) started
T12 >> 1462268212.21576810 Pseudo density (3502.61840s) started
T12 >> 1462268212.21834493 Calculate density matrix (3291.98758s) started
T12 << 1462268224.01958489 Calculate density matrix (3303.78882s) stopped
T12 >> 1462268224.01963496 Construct density (205.06126s) started
T12 << 1462268224.76312900 Construct density (205.80475s) stopped
T12 >> 1462268224.77933002 Symmetrize density (0.02343s) started
T12 << 1462268224.77939796 Symmetrize density (0.02350s) stopped
T12 << 1462268224.78183699 Pseudo density (3515.18447s) stopped
T12 >> 1462268224.78189898 Atomic density matrices (886.29451s) started
T12 << 1462268228.10898304 Atomic density matrices (889.62160s) stopped
T12 >> 1462268228.10901499 Multipole moments (2.77907s) started
T12 << 1462268228.12155294 Multipole moments (2.79161s) stopped
T12 >> 1462268228.12157702 Normalize (1.89192s) started
T12 << 1462268228.12807298 Normalize (1.89842s) stopped
T12 >> 1462268228.12811303 Mix (118.07167s) started
T12 << 1462268228.52910590 Mix (118.47266s) stopped
T12 << 1462268228.52916694 Density (4527.98978s) stopped
T12 >> 1462268228.52919507 Hamiltonian (12706.50988s) started
T12 >> 1462268228.52921009 vbar (7.63775s) started
T12 << 1462268228.56142306 vbar (7.66996s) stopped
T12 >> 1462268228.56157494 XC 3D grid (7822.47683s) started
T12 >> 1462268229.02761507 van der Waals (7558.98317s) started
T12 >> 1462268229.13922596 semilocal (1592.46117s) started
T12 << 1462268234.94852209 semilocal (1598.27047s) stopped
T12 >> 1462268235.03545594 redistribute (812.49854s) started
T12 << 1462268236.03443408 redistribute (813.49751s) stopped
T12 >> 1462268236.03447604 libvdwxc nonlocal (5101.33556s) started
T12 << 1462268254.98549390 libvdwxc nonlocal (5120.28657s) stopped
T12 >> 1462268254.98555994 redistribute (813.49755s) started
T12 << 1462268256.66188097 redistribute (815.17387s) stopped
T12 << 1462268256.66307497 van der Waals (7586.61863s) stopped
T12 << 1462268257.12353611 XC 3D grid (7851.03879s) stopped
T12 >> 1462268257.12357807 Poisson (1808.35014s) started
T12 << 1462268261.54561305 Poisson (1812.77217s) stopped
T12 >> 1462268261.54566598 Hartree integrate/restrict (101.50689s) started
T12 << 1462268261.60069704 Hartree integrate/restrict (101.56192s) stopped
T12 >> 1462268261.60079789 Hartree integrate/restrict (101.56200s) started
T12 << 1462268261.91831899 Hartree integrate/restrict (101.87952s) stopped
T12 >> 1462268261.91848493 Atomic (657.28389s) started
T12 >> 1462268261.92039394 XC Correction (0.00906s) started
T12 << 1462268261.92041993 XC Correction (0.00909s) stopped
T12 << 1462268264.31905293 Atomic (659.68446s) stopped
T12 >> 1462268264.31922793 Communicate (2309.12790s) started
T12 << 1462268278.05706310 Communicate (2322.86574s) stopped
T12 << 1462268278.05710101 Hamiltonian (12756.03779s) stopped
T12 >> 1462268278.05712605 LCAO eigensolver (18696.32601s) started
T12 >> 1462268278.05713892 Potential matrix (283.49547s) started
T12 << 1462268279.01447201 Potential matrix (284.45280s) stopped
T12 >> 1462268279.01455688 DistributedAtomicCorrection (111.80087s) started
T12 << 1462268279.40527892 DistributedAtomicCorrection (112.19159s) stopped
T12 >> 1462268279.40532708 Distribute overlap matrix (2036.98624s) started
T12 >> 1462268279.40535808 blocked summation (1150.66638s) started
T12 << 1462268283.58388901 blocked summation (1154.84491s) stopped
T12 >> 1462268283.59377408 Scalapack redistribute (883.42294s) started
T12 << 1462268286.93165588 Scalapack redistribute (886.76082s) stopped
T12 << 1462268286.93176508 Distribute overlap matrix (2044.51268s) stopped
T12 >> 1462268286.93665290 Blacs Orbital Layouts (15752.50572s) started
T12 >> 1462268286.94512200 General diagonalize (15688.91433s) started
T12 << 1462268341.26299691 General diagonalize (15743.23220s) stopped
T12 >> 1462268341.26306295 Redistribute coefs (2.35246s) started
T12 << 1462268341.27126789 Redistribute coefs (2.36066s) stopped
T12 >> 1462268341.27133489 Send coefs to domains (58.61350s) started
T12 << 1462268341.39675403 Send coefs to domains (58.73892s) stopped
T12 << 1462268341.39711690 Blacs Orbital Layouts (15806.96619s) stopped
T12 >> 1462268341.39714408 Calculate projections (510.09476s) started
T12 << 1462268343.16534805 Calculate projections (511.86296s) stopped
T12 << 1462268343.16572499 LCAO eigensolver (18761.43461s) stopped
T12 >> 1462268346.34306598 Density (4527.98980s) started
T12 >> 1462268346.34308100 Pseudo density (3515.18452s) started
T12 >> 1462268346.34566998 Calculate density matrix (3303.78885s) started
T12 << 1462268358.30609488 Calculate density matrix (3315.74927s) stopped
T12 >> 1462268358.30614400 Construct density (205.80480s) started
T12 << 1462268359.04748893 Construct density (206.54614s) stopped
T12 >> 1462268359.06348395 Symmetrize density (0.02352s) started
T12 << 1462268359.06354904 Symmetrize density (0.02358s) stopped
T12 << 1462268359.06597900 Pseudo density (3527.90742s) stopped
T12 >> 1462268359.06603599 Atomic density matrices (889.62162s) started
T12 << 1462268362.50850105 Atomic density matrices (893.06409s) stopped
T12 >> 1462268362.50853300 Multipole moments (2.79162s) started
T12 << 1462268362.52095509 Multipole moments (2.80405s) stopped
T12 >> 1462268362.52097797 Normalize (1.89845s) started
T12 << 1462268362.52764511 Normalize (1.90512s) stopped
T12 >> 1462268362.52772403 Mix (118.47272s) started
T12 << 1462268362.94292808 Mix (118.88792s) stopped
T12 << 1462268362.94298291 Density (4544.58972s) stopped
T12 >> 1462268362.94300795 Hamiltonian (12756.03780s) started
T12 >> 1462268362.94302201 vbar (7.67005s) started
T12 << 1462268362.97189498 vbar (7.69892s) stopped
T12 >> 1462268362.97197104 XC 3D grid (7851.03883s) started
T12 >> 1462268363.50470901 van der Waals (7586.61865s) started
T12 >> 1462268363.62170696 semilocal (1598.27054s) started
T12 << 1462268369.39929891 semilocal (1604.04814s) stopped
T12 >> 1462268369.47744989 redistribute (815.17392s) started
T12 << 1462268370.46723294 redistribute (816.16371s) stopped
T12 >> 1462268370.46727490 libvdwxc nonlocal (5120.28663s) started
T12 << 1462268389.31051612 libvdwxc nonlocal (5139.12987s) stopped
T12 >> 1462268389.31057692 redistribute (816.16374s) started
T12 << 1462268391.03068900 redistribute (817.88385s) stopped
T12 << 1462268391.03196597 van der Waals (7614.14591s) stopped
T12 << 1462268391.49052906 XC 3D grid (7879.55738s) stopped
T12 >> 1462268391.49058890 Poisson (1812.77221s) started
T12 << 1462268398.75700593 Poisson (1820.03863s) stopped
T12 >> 1462268398.75713801 Hartree integrate/restrict (101.87957s) started
T12 << 1462268398.80224204 Hartree integrate/restrict (101.92467s) stopped
T12 >> 1462268398.80229497 Hartree integrate/restrict (101.92471s) started
T12 << 1462268399.12400889 Hartree integrate/restrict (102.24642s) stopped
T12 >> 1462268399.12418509 Atomic (659.68448s) started
T12 >> 1462268399.12594891 XC Correction (0.00910s) started
T12 << 1462268399.12597203 XC Correction (0.00912s) stopped
T12 << 1462268401.54379201 Atomic (662.10409s) stopped
T12 >> 1462268401.54395700 Communicate (2322.86576s) started
T12 << 1462268415.17827606 Communicate (2336.50008s) stopped
T12 << 1462268415.17831397 Hamiltonian (12808.27310s) stopped
T12 >> 1462268415.17833900 LCAO eigensolver (18761.43463s) started
T12 >> 1462268415.17835212 Potential matrix (284.45285s) started
T12 << 1462268416.12818408 Potential matrix (285.40268s) stopped
T12 >> 1462268416.12825394 DistributedAtomicCorrection (112.19163s) started
T12 << 1462268416.51315808 DistributedAtomicCorrection (112.57654s) stopped
T12 >> 1462268416.51320291 Distribute overlap matrix (2044.51269s) started
T12 >> 1462268416.51323104 blocked summation (1154.84494s) started
T12 << 1462268420.73288202 blocked summation (1159.06459s) stopped
T12 >> 1462268420.74250507 Scalapack redistribute (886.76087s) started
T12 << 1462268423.99807191 Scalapack redistribute (890.01644s) stopped
T12 << 1462268423.99818897 Distribute overlap matrix (2051.99768s) stopped
T12 >> 1462268424.00259304 Blacs Orbital Layouts (15806.96621s) started
T12 >> 1462268424.01145291 General diagonalize (15743.23226s) started
T12 << 1462268475.79894495 General diagonalize (15795.01975s) stopped
T12 >> 1462268475.79899192 Redistribute coefs (2.36072s) started
T12 << 1462268475.80630803 Redistribute coefs (2.36803s) stopped
T12 >> 1462268475.80638194 Send coefs to domains (58.73895s) started
T12 << 1462268475.89958096 Send coefs to domains (58.83215s) stopped
T12 << 1462268475.90011501 Blacs Orbital Layouts (15858.86373s) stopped
T12 >> 1462268475.90014291 Calculate projections (511.86301s) started
T12 << 1462268477.66807008 Calculate projections (513.63094s) stopped
T12 << 1462268477.66842699 LCAO eigensolver (18823.92472s) stopped
T12 >> 1462268480.84178901 Density (4544.58973s) started
T12 >> 1462268480.84180403 Pseudo density (3527.90746s) started
T12 >> 1462268480.84420395 Calculate density matrix (3315.74931s) started
T12 << 1462268492.70252991 Calculate density matrix (3327.60763s) stopped
T12 >> 1462268492.70257807 Construct density (206.54619s) started
T12 << 1462268493.44460797 Construct density (207.28822s) stopped
T12 >> 1462268493.46083593 Symmetrize density (0.02360s) started
T12 << 1462268493.46089196 Symmetrize density (0.02366s) stopped
T12 << 1462268493.46331096 Pseudo density (3540.52897s) stopped
T12 >> 1462268493.46336794 Atomic density matrices (893.06411s) started
T12 << 1462268496.89481497 Atomic density matrices (896.49556s) stopped
T12 >> 1462268496.89484811 Multipole moments (2.80406s) started
T12 << 1462268496.90724993 Multipole moments (2.81646s) stopped
T12 >> 1462268496.90727305 Normalize (1.90518s) started
T12 << 1462268496.91368604 Normalize (1.91159s) stopped
T12 >> 1462268496.91372991 Mix (118.88797s) started
T12 << 1462268497.29766297 Mix (119.27191s) stopped
T12 << 1462268497.29771209 Density (4561.04565s) stopped
T12 >> 1462268497.29773808 Hamiltonian (12808.27312s) started
T12 >> 1462268497.29775190 vbar (7.69896s) started
T12 << 1462268497.33084702 vbar (7.73206s) stopped
T12 >> 1462268497.33104300 XC 3D grid (7879.55743s) started
T12 >> 1462268497.79322100 van der Waals (7614.14594s) started
T12 >> 1462268497.90387797 semilocal (1604.04826s) started
T12 << 1462268503.69261408 semilocal (1609.83700s) stopped
T12 >> 1462268503.76682305 redistribute (817.88389s) started
T12 << 1462268504.82274103 redistribute (818.93981s) stopped
T12 >> 1462268504.82278895 libvdwxc nonlocal (5139.12991s) started
T12 << 1462268523.70944595 libvdwxc nonlocal (5158.01657s) stopped
T12 >> 1462268523.70951200 redistribute (818.93984s) started
T12 << 1462268525.51072788 redistribute (820.74106s) stopped
T12 << 1462268525.51166010 van der Waals (7641.86438s) stopped
T12 << 1462268525.96448708 XC 3D grid (7908.19088s) stopped
T12 >> 1462268525.96455312 Poisson (1820.03873s) started
T12 << 1462268531.81066394 Poisson (1825.88485s) stopped
T12 >> 1462268531.81077409 Hartree integrate/restrict (102.24648s) started
T12 << 1462268531.85979390 Hartree integrate/restrict (102.29550s) stopped
T12 >> 1462268531.85983992 Hartree integrate/restrict (102.29552s) started
T12 << 1462268532.17855310 Hartree integrate/restrict (102.61424s) stopped
T12 >> 1462268532.17872310 Atomic (662.10411s) started
T12 >> 1462268532.18047094 XC Correction (0.00914s) started
T12 << 1462268532.18049693 XC Correction (0.00916s) stopped
T12 << 1462268534.59118009 Atomic (664.51656s) stopped
T12 >> 1462268534.59133101 Communicate (2336.50011s) started
T12 << 1462268547.44879007 Communicate (2349.35757s) stopped
T12 << 1462268547.44882298 Hamiltonian (12858.42420s) stopped
T12 >> 1462268547.44884706 LCAO eigensolver (18823.92474s) started
T12 >> 1462268547.44885993 Potential matrix (285.40272s) started
T12 << 1462268548.40225196 Potential matrix (286.35612s) stopped
T12 >> 1462268548.40232301 DistributedAtomicCorrection (112.57657s) started
T12 << 1462268548.78861499 DistributedAtomicCorrection (112.96286s) stopped
T12 >> 1462268548.78866100 Distribute overlap matrix (2051.99769s) started
T12 >> 1462268548.78868890 blocked summation (1159.06462s) started
T12 << 1462268552.90725589 blocked summation (1163.18318s) stopped
T12 >> 1462268552.91671491 Scalapack redistribute (890.01650s) started
T12 << 1462268556.31734705 Scalapack redistribute (893.41714s) stopped
T12 << 1462268556.31745410 Distribute overlap matrix (2059.52649s) stopped
T12 >> 1462268556.32172394 Blacs Orbital Layouts (15858.86375s) started
T12 >> 1462268556.33079600 General diagonalize (15795.01979s) started
T12 << 1462268610.57943511 General diagonalize (15849.26843s) stopped
T12 >> 1462268610.57948709 Redistribute coefs (2.36809s) started
T12 << 1462268610.58911896 Redistribute coefs (2.37772s) stopped
T12 >> 1462268610.58917594 Send coefs to domains (58.83218s) started
T12 << 1462268610.68508101 Send coefs to domains (58.92809s) stopped
T12 << 1462268610.68565798 Blacs Orbital Layouts (15913.22768s) stopped
T12 >> 1462268610.68568802 Calculate projections (513.63099s) started
T12 << 1462268612.46730900 Calculate projections (515.41261s) stopped
T12 << 1462268612.46777201 LCAO eigensolver (18888.94366s) stopped
T12 >> 1462268615.61901402 Density (4561.04567s) started
T12 >> 1462268615.61903000 Pseudo density (3540.52901s) started
T12 >> 1462268615.62125301 Calculate density matrix (3327.60767s) started
T12 << 1462268627.50294590 Calculate density matrix (3339.48936s) stopped
T12 >> 1462268627.50300193 Construct density (207.28827s) started
T12 << 1462268628.24539399 Construct density (208.03066s) stopped
T12 >> 1462268628.26033211 Symmetrize density (0.02367s) started
T12 << 1462268628.26039791 Symmetrize density (0.02374s) stopped
T12 << 1462268628.26251602 Pseudo density (3553.17250s) stopped
T12 >> 1462268628.26258612 Atomic density matrices (896.49558s) started
T12 << 1462268631.60350490 Atomic density matrices (899.83650s) stopped
T12 >> 1462268631.60353994 Multipole moments (2.81648s) started
T12 << 1462268631.61576796 Multipole moments (2.82871s) stopped
T12 >> 1462268631.61579990 Normalize (1.91163s) started
T12 << 1462268631.62189698 Normalize (1.91772s) stopped
T12 >> 1462268631.62201500 Mix (119.27196s) started
T12 << 1462268632.02986693 Mix (119.67981s) stopped
T12 << 1462268632.02990103 Density (4577.45655s) stopped
T12 >> 1462268632.02992702 Hamiltonian (12858.42421s) started
T12 >> 1462268632.02994204 vbar (7.73217s) started
T12 << 1462268632.05907393 vbar (7.76130s) stopped
T12 >> 1462268632.05921698 XC 3D grid (7908.19093s) started
T12 >> 1462268632.55006289 van der Waals (7641.86440s) started
T12 >> 1462268632.66537309 semilocal (1609.83708s) started
T12 << 1462268638.41767812 semilocal (1615.58939s) stopped
T12 >> 1462268638.49442196 redistribute (820.74109s) started
T12 << 1462268639.53098392 redistribute (821.77765s) stopped
T12 >> 1462268639.53103590 libvdwxc nonlocal (5158.01662s) started
T12 << 1462268657.74431705 libvdwxc nonlocal (5176.22990s) stopped
T12 >> 1462268657.74440002 redistribute (821.77769s) started
T12 << 1462268659.87350106 redistribute (823.90679s) stopped
T12 << 1462268659.87486100 van der Waals (7669.18920s) stopped
T12 << 1462268660.33001399 XC 3D grid (7936.46173s) stopped
T12 >> 1462268660.33008003 Poisson (1825.88494s) started
T12 << 1462268664.82726192 Poisson (1830.38212s) stopped
T12 >> 1462268664.82741499 Hartree integrate/restrict (102.61430s) started
T12 << 1462268664.86460495 Hartree integrate/restrict (102.65149s) stopped
T12 >> 1462268664.86469412 Hartree integrate/restrict (102.65154s) started
T12 << 1462268665.20114493 Hartree integrate/restrict (102.98799s) stopped
T12 >> 1462268665.20132208 Atomic (664.51659s) started
T12 >> 1462268665.20320106 XC Correction (0.00917s) started
T12 << 1462268665.20321894 XC Correction (0.00919s) stopped
T12 << 1462268667.61744809 Atomic (666.93271s) stopped
T12 >> 1462268667.61761308 Communicate (2349.35759s) started
T12 << 1462268679.54039907 Communicate (2361.28037s) stopped
T12 << 1462268679.54045200 Hamiltonian (12905.93474s) stopped
T12 >> 1462268679.54047608 LCAO eigensolver (18888.94368s) started
T12 >> 1462268679.54048991 Potential matrix (286.35616s) started
T12 << 1462268680.48984909 Potential matrix (287.30552s) stopped
T12 >> 1462268680.48994493 DistributedAtomicCorrection (112.96290s) started
T12 << 1462268680.88575602 DistributedAtomicCorrection (113.35871s) stopped
T12 >> 1462268680.88580489 Distribute overlap matrix (2059.52650s) started
T12 >> 1462268680.88584089 blocked summation (1163.18321s) started
T12 << 1462268684.87204599 blocked summation (1167.16942s) stopped
T12 >> 1462268684.88182306 Scalapack redistribute (893.41720s) started
T12 << 1462268688.27888393 Scalapack redistribute (896.81426s) stopped
T12 << 1462268688.27901411 Distribute overlap matrix (2066.91971s) stopped
T12 >> 1462268688.28311706 Blacs Orbital Layouts (15913.22770s) started
T12 >> 1462268688.29185510 General diagonalize (15849.26847s) started
T12 << 1462268739.73906207 General diagonalize (15900.71568s) stopped
T12 >> 1462268739.73912597 Redistribute coefs (2.37777s) started
T12 << 1462268739.74764895 Redistribute coefs (2.38629s) stopped
T12 >> 1462268739.74769807 Send coefs to domains (58.92813s) started
T12 << 1462268740.08175111 Send coefs to domains (59.26218s) stopped
T12 << 1462268740.08232903 Blacs Orbital Layouts (15965.02691s) stopped
T12 >> 1462268740.08235788 Calculate projections (515.41267s) started
T12 << 1462268741.85149288 Calculate projections (517.18181s) stopped
T12 << 1462268741.85198498 LCAO eigensolver (18951.25519s) stopped
T12 >> 1462268745.03472590 Density (4577.45656s) started
T12 >> 1462268745.03474092 Pseudo density (3553.17256s) started
T12 >> 1462268745.03795290 Calculate density matrix (3339.48940s) started
T12 << 1462268756.88542891 Calculate density matrix (3351.33688s) stopped
T12 >> 1462268756.88547897 Construct density (208.03076s) started
T12 << 1462268757.62762594 Construct density (208.77291s) stopped
T12 >> 1462268757.64413905 Symmetrize density (0.02376s) started
T12 << 1462268757.64419699 Symmetrize density (0.02382s) stopped
T12 << 1462268757.64662290 Pseudo density (3565.78444s) stopped
T12 >> 1462268757.64668107 Atomic density matrices (899.83653s) started
T12 << 1462268760.92699695 Atomic density matrices (903.11685s) stopped
T12 >> 1462268760.92703009 Multipole moments (2.82872s) started
T12 << 1462268760.93931699 Multipole moments (2.84101s) stopped
T12 >> 1462268760.93934703 Normalize (1.91782s) started
T12 << 1462268760.94860506 Normalize (1.92708s) stopped
T12 >> 1462268760.94868994 Mix (119.67984s) started
T12 << 1462268761.41321707 Mix (120.14437s) stopped
T12 << 1462268761.41325307 Density (4593.83509s) stopped
T12 >> 1462268761.41328001 Hamiltonian (12905.93475s) started
T12 >> 1462268761.41329598 vbar (7.76139s) started
T12 << 1462268761.44859600 vbar (7.79669s) stopped
T12 >> 1462268761.44869208 XC 3D grid (7936.46178s) started
T12 >> 1462268761.90624309 van der Waals (7669.18922s) started
T12 >> 1462268762.01915097 semilocal (1615.58948s) started
T12 << 1462268767.83631897 semilocal (1621.40665s) stopped
T12 >> 1462268767.91503906 redistribute (823.90685s) started
T12 << 1462268768.91406298 redistribute (824.90587s) stopped
T12 >> 1462268768.91410708 libvdwxc nonlocal (5176.22996s) started
T12 << 1462268787.38454294 libvdwxc nonlocal (5194.70040s) stopped
T12 >> 1462268787.38460803 redistribute (824.90591s) started
T12 << 1462268789.19767809 redistribute (826.71898s) stopped
T12 << 1462268789.19888902 van der Waals (7696.48187s) stopped
T12 << 1462268789.65615511 XC 3D grid (7964.66925s) stopped
T12 >> 1462268789.65620089 Poisson (1830.38223s) started
T12 << 1462268795.45380998 Poisson (1836.17984s) stopped
T12 >> 1462268795.45393109 Hartree integrate/restrict (102.98805s) started
T12 << 1462268795.49924588 Hartree integrate/restrict (103.03336s) stopped
T12 >> 1462268795.49934292 Hartree integrate/restrict (103.03343s) started
T12 << 1462268795.81881809 Hartree integrate/restrict (103.35291s) stopped
T12 >> 1462268795.81894803 Atomic (666.93274s) started
T12 >> 1462268795.82065511 XC Correction (0.00920s) started
T12 << 1462268795.82066989 XC Correction (0.00922s) stopped
T12 << 1462268798.22555208 Atomic (669.33934s) stopped
T12 >> 1462268798.22571111 Communicate (2361.28040s) started
T12 << 1462268809.86173701 Communicate (2372.91642s) stopped
T12 << 1462268809.86177897 Hamiltonian (12954.38325s) stopped
T12 >> 1462268809.86180902 LCAO eigensolver (18951.25521s) started
T12 >> 1462268809.86182308 Potential matrix (287.30557s) started
T12 << 1462268810.82252097 Potential matrix (288.26627s) stopped
T12 >> 1462268810.82260394 DistributedAtomicCorrection (113.35875s) started
T12 << 1462268811.22852397 DistributedAtomicCorrection (113.76467s) stopped
T12 >> 1462268811.22857404 Distribute overlap matrix (2066.91972s) started
T12 >> 1462268811.22860694 blocked summation (1167.16945s) started
T12 << 1462268815.20676994 blocked summation (1171.14762s) stopped
T12 >> 1462268815.21633601 Scalapack redistribute (896.81433s) started
T12 << 1462268818.33684492 Scalapack redistribute (899.93484s) stopped
T12 << 1462268818.33697391 Distribute overlap matrix (2074.02812s) stopped
T12 >> 1462268818.34112906 Blacs Orbital Layouts (15965.02693s) started
T12 >> 1462268818.34971499 General diagonalize (15900.71573s) started
T12 << 1462268869.66790795 General diagonalize (15952.03392s) stopped
T12 >> 1462268869.66796088 Redistribute coefs (2.38633s) started
T12 << 1462268869.67613292 Redistribute coefs (2.39450s) stopped
T12 >> 1462268869.67618608 Send coefs to domains (59.26222s) started
T12 << 1462268869.97258210 Send coefs to domains (59.55862s) stopped
T12 << 1462268869.97295094 Blacs Orbital Layouts (16016.65876s) stopped
T12 >> 1462268869.97298503 Calculate projections (517.18186s) started
T12 << 1462268871.75253296 Calculate projections (518.96141s) stopped
T12 << 1462268871.75291109 LCAO eigensolver (19013.14631s) stopped
T12 >> 1462268874.91411710 Density (4593.83511s) started
T12 >> 1462268874.91413307 Pseudo density (3565.78448s) started
T12 >> 1462268874.91621208 Calculate density matrix (3351.33691s) started
T12 << 1462268887.82519507 Calculate density matrix (3364.24589s) stopped
T12 >> 1462268887.82524991 Construct density (208.77296s) started
T12 << 1462268888.56855798 Construct density (209.51627s) stopped
T12 >> 1462268888.58291411 Symmetrize density (0.02383s) started
T12 << 1462268888.58297896 Symmetrize density (0.02390s) stopped
T12 << 1462268888.58508992 Pseudo density (3579.45544s) stopped
T12 >> 1462268888.58515906 Atomic density matrices (903.11687s) started
T12 << 1462268891.86587811 Atomic density matrices (906.39759s) stopped
T12 >> 1462268891.86591697 Multipole moments (2.84103s) started
T12 << 1462268891.87765908 Multipole moments (2.85277s) stopped
T12 >> 1462268891.87769103 Normalize (1.92714s) started
T12 << 1462268891.88376093 Normalize (1.93321s) stopped
T12 >> 1462268891.88391399 Mix (120.14441s) started
T12 << 1462268892.31150103 Mix (120.57199s) stopped
T12 << 1462268892.31154895 Density (4611.23254s) stopped
T12 >> 1462268892.31157494 Hamiltonian (12954.38326s) started
T12 >> 1462268892.31159091 vbar (7.79674s) started
T12 << 1462268892.33386588 vbar (7.81901s) stopped
T12 >> 1462268892.33396292 XC 3D grid (7964.66928s) started
T12 >> 1462268892.88123488 van der Waals (7696.48189s) started
T12 >> 1462268892.99435806 semilocal (1621.40672s) started
T12 << 1462268898.72732210 semilocal (1627.13969s) stopped
T12 >> 1462268898.80440807 redistribute (826.71901s) started
T12 << 1462268899.84959412 redistribute (827.76420s) stopped
T12 >> 1462268899.84964609 libvdwxc nonlocal (5194.70045s) started
T12 << 1462268917.91559792 libvdwxc nonlocal (5212.76640s) stopped
T12 >> 1462268917.91568208 redistribute (827.76424s) started
T12 << 1462268920.06399989 redistribute (829.91256s) stopped
T12 << 1462268920.06517196 van der Waals (7723.66583s) stopped
T12 << 1462268920.52249908 XC 3D grid (7992.85782s) stopped
T12 >> 1462268920.52254605 Poisson (1836.17993s) started
T12 << 1462268924.87213302 Poisson (1840.52952s) stopped
T12 >> 1462268924.87221909 Hartree integrate/restrict (103.35294s) started
T12 << 1462268924.91185999 Hartree integrate/restrict (103.39258s) stopped
T12 >> 1462268924.91193199 Hartree integrate/restrict (103.39263s) started
T12 << 1462268925.27400708 Hartree integrate/restrict (103.75470s) stopped
T12 >> 1462268925.27419090 Atomic (669.33936s) started
T12 >> 1462268925.27605700 XC Correction (0.00923s) started
T12 << 1462268925.27608204 XC Correction (0.00926s) stopped
T12 << 1462268927.68278694 Atomic (671.74796s) stopped
T12 >> 1462268927.68293810 Communicate (2372.91645s) started
T12 << 1462268939.34930897 Communicate (2384.58282s) stopped
T12 << 1462268939.34934998 Hamiltonian (13001.42104s) stopped
T12 >> 1462268939.34937811 LCAO eigensolver (19013.14633s) started
T12 >> 1462268939.34939098 Potential matrix (288.26631s) started
T12 << 1462268940.30061007 Potential matrix (289.21753s) stopped
T12 >> 1462268940.30069089 DistributedAtomicCorrection (113.76471s) started
T12 << 1462268940.70596409 DistributedAtomicCorrection (114.16999s) stopped
T12 >> 1462268940.70601296 Distribute overlap matrix (2074.02814s) started
T12 >> 1462268940.70604491 blocked summation (1171.14766s) started
T12 << 1462268944.61816812 blocked summation (1175.05978s) stopped
T12 >> 1462268944.62730598 Scalapack redistribute (899.93491s) started
T12 << 1462268947.85295391 Scalapack redistribute (903.16056s) stopped
T12 << 1462268947.85309696 Distribute overlap matrix (2081.17522s) stopped
T12 >> 1462268947.85744596 Blacs Orbital Layouts (16016.65878s) started
T12 >> 1462268947.86608791 General diagonalize (15952.03397s) started
T12 << 1462269001.85702205 General diagonalize (16006.02490s) stopped
T12 >> 1462269001.85706592 Redistribute coefs (2.39454s) started
T12 << 1462269001.86431289 Redistribute coefs (2.40179s) stopped
T12 >> 1462269001.86438608 Send coefs to domains (59.55869s) started
T12 << 1462269001.97085500 Send coefs to domains (59.66516s) stopped
T12 << 1462269001.97129798 Blacs Orbital Layouts (16070.77263s) stopped
T12 >> 1462269001.97132611 Calculate projections (518.96147s) started
T12 << 1462269003.74136996 Calculate projections (520.73151s) stopped
T12 << 1462269003.74160099 LCAO eigensolver (19077.53856s) stopped
T12 >> 1462269006.91176391 Density (4611.23255s) started
T12 >> 1462269006.91177893 Pseudo density (3579.45550s) started
T12 >> 1462269006.91500592 Calculate density matrix (3364.24593s) started
T12 << 1462269018.79268909 Calculate density matrix (3376.12362s) stopped
T12 >> 1462269018.79273701 Construct density (209.51633s) started
T12 << 1462269019.53463602 Construct density (210.25823s) stopped
T12 >> 1462269019.55232310 Symmetrize density (0.02392s) started
T12 << 1462269019.55237889 Symmetrize density (0.02397s) stopped
T12 << 1462269019.55481195 Pseudo density (3592.09853s) stopped
T12 >> 1462269019.55486798 Atomic density matrices (906.39762s) started
T12 << 1462269022.80976391 Atomic density matrices (909.65252s) stopped
T12 >> 1462269022.80979991 Multipole moments (2.85279s) started
T12 << 1462269022.82145905 Multipole moments (2.86445s) stopped
T12 >> 1462269022.82148910 Normalize (1.93334s) started
T12 << 1462269022.82908297 Normalize (1.94093s) stopped
T12 >> 1462269022.82912588 Mix (120.57204s) started
T12 << 1462269023.27355909 Mix (121.01647s) stopped
T12 << 1462269023.27361298 Density (4627.59440s) stopped
T12 >> 1462269023.27364206 Hamiltonian (13001.42105s) started
T12 >> 1462269023.27365804 vbar (7.81907s) started
T12 << 1462269023.30604100 vbar (7.85145s) stopped
T12 >> 1462269023.30622792 XC 3D grid (7992.85785s) started
T12 >> 1462269023.78325391 van der Waals (7723.66586s) started
T12 >> 1462269023.89861703 semilocal (1627.13981s) started
T12 << 1462269029.65592289 semilocal (1632.89712s) stopped
T12 >> 1462269029.72909689 redistribute (829.91261s) started
T12 << 1462269030.76565099 redistribute (830.94917s) stopped
T12 >> 1462269030.76569390 libvdwxc nonlocal (5212.76646s) started
T12 << 1462269049.26436400 libvdwxc nonlocal (5231.26513s) stopped
T12 >> 1462269049.26440692 redistribute (830.94920s) started
T12 << 1462269051.01502299 redistribute (832.69982s) stopped
T12 << 1462269051.01627994 van der Waals (7750.89888s) stopped
T12 << 1462269051.46912694 XC 3D grid (8021.02075s) stopped
T12 >> 1462269051.46916699 Poisson (1840.52958s) started
T12 << 1462269055.81950808 Poisson (1844.87992s) stopped
T12 >> 1462269055.81960392 Hartree integrate/restrict (103.75476s) started
T12 << 1462269055.86327791 Hartree integrate/restrict (103.79844s) stopped
T12 >> 1462269055.86334705 Hartree integrate/restrict (103.79848s) started
T12 << 1462269056.21484709 Hartree integrate/restrict (104.14998s) stopped
T12 >> 1462269056.21502090 Atomic (671.74799s) started
T12 >> 1462269056.21667194 XC Correction (0.00927s) started
T12 << 1462269056.21668696 XC Correction (0.00928s) stopped
T12 << 1462269058.59893298 Atomic (674.13190s) stopped
T12 >> 1462269058.59904909 Communicate (2384.58285s) started
T12 << 1462269070.24458694 Communicate (2396.22839s) stopped
T12 << 1462269070.24462509 Hamiltonian (13048.39203s) stopped
T12 >> 1462269070.24464989 LCAO eigensolver (19077.53858s) started
T12 >> 1462269070.24466300 Potential matrix (289.21758s) started
T12 << 1462269071.20766997 Potential matrix (290.18059s) stopped
T12 >> 1462269071.20774388 DistributedAtomicCorrection (114.17003s) started
T12 << 1462269071.61200190 DistributedAtomicCorrection (114.57428s) stopped
T12 >> 1462269071.61204910 Distribute overlap matrix (2081.17523s) started
T12 >> 1462269071.61207700 blocked summation (1175.05981s) started
T12 << 1462269075.54726911 blocked summation (1178.99500s) stopped
T12 >> 1462269075.55733395 Scalapack redistribute (903.16063s) started
T12 << 1462269078.77930903 Scalapack redistribute (906.38261s) stopped
T12 << 1462269078.77941608 Distribute overlap matrix (2088.34260s) stopped
T12 >> 1462269078.78387403 Blacs Orbital Layouts (16070.77265s) started
T12 >> 1462269078.79231906 General diagonalize (16006.02494s) started
T12 << 1462269133.46104002 General diagonalize (16060.69366s) stopped
T12 >> 1462269133.46109295 Redistribute coefs (2.40185s) started
T12 << 1462269133.47015309 Redistribute coefs (2.41091s) stopped
T12 >> 1462269133.47020411 Send coefs to domains (59.66520s) started
T12 << 1462269133.56558299 Send coefs to domains (59.76058s) stopped
T12 << 1462269133.56610990 Blacs Orbital Layouts (16125.55489s) stopped
T12 >> 1462269133.56613994 Calculate projections (520.73156s) started
T12 << 1462269135.34510899 Calculate projections (522.51053s) stopped
T12 << 1462269135.34534693 LCAO eigensolver (19142.63927s) stopped
T12 >> 1462269138.50585699 Density (4627.59442s) started
T12 >> 1462269138.50587201 Pseudo density (3592.09857s) started
T12 >> 1462269138.50812697 Calculate density matrix (3376.12365s) started
T12 << 1462269150.34026694 Calculate density matrix (3387.95579s) stopped
T12 >> 1462269150.34032393 Construct density (210.25828s) started
T12 << 1462269151.08280897 Construct density (211.00076s) stopped
T12 >> 1462269151.09781790 Symmetrize density (0.02399s) started
T12 << 1462269151.09788489 Symmetrize density (0.02406s) stopped
T12 << 1462269151.09998202 Pseudo density (3604.69268s) stopped
T12 >> 1462269151.10004997 Atomic density matrices (909.65254s) started
T12 << 1462269154.46147299 Atomic density matrices (913.01397s) stopped
T12 >> 1462269154.46151090 Multipole moments (2.86446s) started
T12 << 1462269154.47315192 Multipole moments (2.87610s) stopped
T12 >> 1462269154.47318411 Normalize (1.94096s) started
T12 << 1462269154.47924089 Normalize (1.94702s) stopped
T12 >> 1462269154.47937489 Mix (121.01653s) started
T12 << 1462269154.93729091 Mix (121.47444s) stopped
T12 << 1462269154.93734288 Density (4644.02590s) stopped
T12 >> 1462269154.93736911 Hamiltonian (13048.39205s) started
T12 >> 1462269154.93738508 vbar (7.85156s) started
T12 << 1462269154.95682192 vbar (7.87100s) stopped
T12 >> 1462269154.95691609 XC 3D grid (8021.02078s) started
T12 >> 1462269155.49411798 van der Waals (7750.89891s) started
T12 >> 1462269155.60741305 semilocal (1632.89724s) started
T12 << 1462269161.35986996 semilocal (1638.64969s) stopped
T12 >> 1462269161.43652892 redistribute (832.69987s) started
T12 << 1462269162.49525690 redistribute (833.75860s) stopped
T12 >> 1462269162.49532795 libvdwxc nonlocal (5231.26516s) started
T12 << 1462269180.70292807 libvdwxc nonlocal (5249.47276s) stopped
T12 >> 1462269180.70301104 redistribute (833.75866s) started
T12 << 1462269182.83646202 redistribute (835.89211s) stopped
T12 << 1462269182.83765411 van der Waals (7778.24245s) stopped
T12 << 1462269183.29532290 XC 3D grid (8049.35919s) stopped
T12 >> 1462269183.29538798 Poisson (1844.88000s) started
T12 << 1462269187.67036510 Poisson (1849.25497s) stopped
T12 >> 1462269187.67045903 Hartree integrate/restrict (104.15004s) started
T12 << 1462269187.70822811 Hartree integrate/restrict (104.18781s) stopped
T12 >> 1462269187.70832396 Hartree integrate/restrict (104.18787s) started
T12 << 1462269188.08164811 Hartree integrate/restrict (104.56120s) stopped
T12 >> 1462269188.08183908 Atomic (674.13192s) started
T12 >> 1462269188.08374500 XC Correction (0.00929s) started
T12 << 1462269188.08376288 XC Correction (0.00931s) stopped
T12 << 1462269190.50353909 Atomic (676.55362s) stopped
T12 >> 1462269190.50365400 Communicate (2396.22841s) started
T12 << 1462269202.10095000 Communicate (2407.82571s) stopped
T12 << 1462269202.10098910 Hamiltonian (13095.55567s) stopped
T12 >> 1462269202.10101295 LCAO eigensolver (19142.63929s) started
T12 >> 1462269202.10102606 Potential matrix (290.18063s) started
T12 << 1462269203.04761100 Potential matrix (291.12722s) stopped
T12 >> 1462269203.04770708 DistributedAtomicCorrection (114.57432s) started
T12 << 1462269203.45479488 DistributedAtomicCorrection (114.98141s) stopped
T12 >> 1462269203.45484710 Distribute overlap matrix (2088.34262s) started
T12 >> 1462269203.45487905 blocked summation (1178.99503s) started
T12 << 1462269207.38941693 blocked summation (1182.92957s) stopped
T12 >> 1462269207.39940691 Scalapack redistribute (906.38266s) started
T12 << 1462269210.62037301 Scalapack redistribute (909.60363s) stopped
T12 << 1462269210.62051010 Distribute overlap matrix (2095.50828s) stopped
T12 >> 1462269210.62485600 Blacs Orbital Layouts (16125.55491s) started
T12 >> 1462269210.63366699 General diagonalize (16060.69370s) started
T12 << 1462269262.17259097 General diagonalize (16112.23263s) stopped
T12 >> 1462269262.17263794 Redistribute coefs (2.41095s) started
T12 << 1462269262.17973709 Redistribute coefs (2.41805s) stopped
T12 >> 1462269262.17980504 Send coefs to domains (59.76062s) started
T12 << 1462269262.27370811 Send coefs to domains (59.85452s) stopped
T12 << 1462269262.27423692 Blacs Orbital Layouts (16177.20429s) stopped
T12 >> 1462269262.27426505 Calculate projections (522.51059s) started
T12 << 1462269264.04318500 Calculate projections (524.27951s) stopped
T12 << 1462269264.04368210 LCAO eigensolver (19204.58196s) stopped
T12 >> 1462269267.21663690 Density (4644.02591s) started
T12 >> 1462269267.21665192 Pseudo density (3604.69274s) started
T12 >> 1462269267.21901107 Calculate density matrix (3387.95583s) started
T12 << 1462269279.03266597 Calculate density matrix (3399.76948s) stopped
T12 >> 1462269279.03271389 Construct density (211.00082s) started
T12 << 1462269279.77429795 Construct density (211.74241s) stopped
T12 >> 1462269279.79119611 Symmetrize density (0.02407s) started
T12 << 1462269279.79125404 Symmetrize density (0.02413s) stopped
T12 << 1462269279.79366589 Pseudo density (3617.26975s) stopped
T12 >> 1462269279.79372311 Atomic density matrices (913.01400s) started
T12 << 1462269283.16359591 Atomic density matrices (916.38387s) stopped
T12 >> 1462269283.16362906 Multipole moments (2.87612s) started
T12 << 1462269283.17606091 Multipole moments (2.88855s) stopped
T12 >> 1462269283.17609191 Normalize (1.94713s) started
T12 << 1462269283.18278408 Normalize (1.95382s) stopped
T12 >> 1462269283.18282890 Mix (121.47449s) started
T12 << 1462269283.63900304 Mix (121.93067s) stopped
T12 << 1462269283.63905501 Density (4660.44833s) stopped
T12 >> 1462269283.63908195 Hamiltonian (13095.55568s) started
T12 >> 1462269283.63909698 vbar (7.87105s) started
T12 << 1462269283.66930509 vbar (7.90126s) stopped
T12 >> 1462269283.66942000 XC 3D grid (8049.35924s) started
T12 >> 1462269284.16087198 van der Waals (7778.24247s) started
T12 >> 1462269284.27267003 semilocal (1638.64982s) started
T12 << 1462269290.05016494 semilocal (1644.42732s) stopped
T12 >> 1462269290.12897301 redistribute (835.89217s) started
T12 << 1462269291.14570189 redistribute (836.90889s) stopped
T12 >> 1462269291.14577389 libvdwxc nonlocal (5249.47283s) started
T12 << 1462269309.90965700 libvdwxc nonlocal (5268.23671s) stopped
T12 >> 1462269309.90972209 redistribute (836.90895s) started
T12 << 1462269311.61651492 redistribute (838.61575s) stopped
T12 << 1462269311.61762595 van der Waals (7805.69922s) stopped
T12 << 1462269312.07258511 XC 3D grid (8077.76241s) stopped
T12 >> 1462269312.07263994 Poisson (1849.25504s) started
T12 << 1462269316.48837590 Poisson (1853.67078s) stopped
T12 >> 1462269316.48850107 Hartree integrate/restrict (104.56126s) started
T12 << 1462269316.53888202 Hartree integrate/restrict (104.61164s) stopped
T12 >> 1462269316.53897405 Hartree integrate/restrict (104.61170s) started
T12 << 1462269316.84741497 Hartree integrate/restrict (104.92014s) stopped
T12 >> 1462269316.84758806 Atomic (676.55365s) started
T12 >> 1462269316.84924507 XC Correction (0.00932s) started
T12 << 1462269316.84926105 XC Correction (0.00934s) stopped
T12 << 1462269319.26010203 Atomic (678.96616s) stopped
T12 >> 1462269319.26019001 Communicate (2407.82573s) started
T12 << 1462269331.03402901 Communicate (2419.59957s) stopped
T12 << 1462269331.03406692 Hamiltonian (13142.95066s) stopped
T12 >> 1462269331.03411102 LCAO eigensolver (19204.58198s) started
T12 >> 1462269331.03412509 Potential matrix (291.12727s) started
T12 << 1462269331.98294306 Potential matrix (292.07609s) stopped
T12 >> 1462269331.98301506 DistributedAtomicCorrection (114.98145s) started
T12 << 1462269332.38445306 DistributedAtomicCorrection (115.38289s) stopped
T12 >> 1462269332.38450098 Distribute overlap matrix (2095.50829s) started
T12 >> 1462269332.38452911 blocked summation (1182.92961s) started
T12 << 1462269336.35615110 blocked summation (1186.90123s) stopped
T12 >> 1462269336.36542106 Scalapack redistribute (909.60370s) started
T12 << 1462269339.55251503 Scalapack redistribute (912.79080s) stopped
T12 << 1462269339.55263209 Distribute overlap matrix (2102.67642s) stopped
T12 >> 1462269339.55764890 Blacs Orbital Layouts (16177.20431s) started
T12 >> 1462269339.56682205 General diagonalize (16112.23267s) started
T12 << 1462269390.83022404 General diagonalize (16163.49607s) stopped
T12 >> 1462269390.83026910 Redistribute coefs (2.41810s) started
T12 << 1462269390.83743691 Redistribute coefs (2.42527s) stopped
T12 >> 1462269390.83749890 Send coefs to domains (59.85456s) started
T12 << 1462269390.93571591 Send coefs to domains (59.95277s) stopped
T12 << 1462269390.93631101 Blacs Orbital Layouts (16228.58297s) stopped
T12 >> 1462269390.93633890 Calculate projections (524.27956s) started
T12 << 1462269392.70417404 Calculate projections (526.04740s) stopped
T12 << 1462269392.70435691 LCAO eigensolver (19266.25223s) stopped
T12 >> 1462269395.88194299 Density (4660.44835s) started
T12 >> 1462269395.88195801 Pseudo density (3617.26980s) started
T12 >> 1462269395.88450789 Calculate density matrix (3399.76951s) started
T12 << 1462269407.71800303 Calculate density matrix (3411.60301s) stopped
T12 >> 1462269407.71805191 Construct density (211.74246s) started
T12 << 1462269408.45966506 Construct density (212.48407s) stopped
T12 >> 1462269408.47550106 Symmetrize density (0.02415s) started
T12 << 1462269408.47555804 Symmetrize density (0.02421s) stopped
T12 << 1462269408.47796607 Pseudo density (3629.86580s) stopped
T12 >> 1462269408.47802305 Atomic density matrices (916.38389s) started
T12 << 1462269411.80836892 Atomic density matrices (919.71424s) stopped
T12 >> 1462269411.80840206 Multipole moments (2.88857s) started
T12 << 1462269411.82068610 Multipole moments (2.90085s) stopped
T12 >> 1462269411.82071590 Normalize (1.95385s) started
T12 << 1462269411.82843494 Normalize (1.96157s) stopped
T12 >> 1462269411.82849097 Mix (121.93072s) started
T12 << 1462269412.24415493 Mix (122.34638s) stopped
T12 << 1462269412.24420810 Density (4676.81061s) stopped
T12 >> 1462269412.24423504 Hamiltonian (13142.95069s) started
T12 >> 1462269412.24425006 vbar (7.90132s) started
T12 << 1462269412.27265096 vbar (7.92973s) stopped
T12 >> 1462269412.27277207 XC 3D grid (8077.76245s) started
T12 >> 1462269412.80328202 van der Waals (7805.69925s) started
T12 >> 1462269412.91355896 semilocal (1644.42741s) started
T12 << 1462269418.68264794 semilocal (1650.19650s) stopped
T12 >> 1462269418.77044797 redistribute (838.61578s) started
T12 << 1462269419.78807712 redistribute (839.63341s) stopped
T12 >> 1462269419.78812003 libvdwxc nonlocal (5268.23676s) started
T12 << 1462269438.38228893 libvdwxc nonlocal (5286.83093s) stopped
T12 >> 1462269438.38234711 redistribute (839.63344s) started
T12 << 1462269440.15476608 redistribute (841.40586s) stopped
T12 << 1462269440.15586805 van der Waals (7833.05183s) stopped
T12 << 1462269440.61018300 XC 3D grid (8106.09986s) stopped
T12 >> 1462269440.61022496 Poisson (1853.67088s) started
T12 << 1462269444.95536995 Poisson (1858.01602s) stopped
T12 >> 1462269444.95544505 Hartree integrate/restrict (104.92020s) started
T12 << 1462269445.00072193 Hartree integrate/restrict (104.96548s) stopped
T12 >> 1462269445.00081611 Hartree integrate/restrict (104.96554s) started
T12 << 1462269445.31411695 Hartree integrate/restrict (105.27884s) stopped
T12 >> 1462269445.31427598 Atomic (678.96618s) started
T12 >> 1462269445.31590605 XC Correction (0.00935s) started
T12 << 1462269445.31592202 XC Correction (0.00937s) stopped
T12 << 1462269447.72484803 Atomic (681.37675s) stopped
T12 >> 1462269447.72493410 Communicate (2419.59960s) started
T12 << 1462269459.51383710 Communicate (2431.38850s) stopped
T12 << 1462269459.51387501 Hamiltonian (13190.22033s) stopped
T12 >> 1462269459.51390004 LCAO eigensolver (19266.25224s) started
T12 >> 1462269459.51391292 Potential matrix (292.07613s) started
T12 << 1462269460.46612191 Potential matrix (293.02834s) stopped
T12 >> 1462269460.46619391 DistributedAtomicCorrection (115.38293s) started
T12 << 1462269460.86397600 DistributedAtomicCorrection (115.78071s) stopped
T12 >> 1462269460.86402297 Distribute overlap matrix (2102.67644s) started
T12 >> 1462269460.86405206 blocked summation (1186.90126s) started
T12 << 1462269464.86676002 blocked summation (1190.90397s) stopped
T12 >> 1462269464.87663388 Scalapack redistribute (912.79086s) started
T12 << 1462269468.05394793 Scalapack redistribute (915.96818s) stopped
T12 << 1462269468.05405998 Distribute overlap matrix (2109.86647s) stopped
T12 >> 1462269468.05843210 Blacs Orbital Layouts (16228.58299s) started
T12 >> 1462269468.06756306 General diagonalize (16163.49611s) started
T12 << 1462269522.05128098 General diagonalize (16217.47983s) stopped
T12 >> 1462269522.05132604 Redistribute coefs (2.42532s) started
T12 << 1462269522.05865788 Redistribute coefs (2.43265s) stopped
T12 >> 1462269522.05872607 Send coefs to domains (59.95281s) started
T12 << 1462269522.42313504 Send coefs to domains (60.31722s) stopped
T12 << 1462269522.42356396 Blacs Orbital Layouts (16282.94812s) stopped
T12 >> 1462269522.42359090 Calculate projections (526.04745s) started
T12 << 1462269524.19119000 Calculate projections (527.81505s) stopped
T12 << 1462269524.19156003 LCAO eigensolver (19330.92990s) stopped
T12 << 1462269527.36644506 SCF-cycle (38170.91757s) stopped
T12 >> 1462269529.43072701 Force calculation (1418.92733s) started
T12 >> 1462269529.43080401 LCAO forces (1403.21083s) started
T12 >> 1462269529.43115997 Initial (0.00043s) started
T12 << 1462269529.43117094 Initial (0.00044s) stopped
T12 >> 1462269529.43755102 Get density matrix (741.93830s) started
T12 << 1462269538.55517292 Get density matrix (751.05592s) stopped
T12 >> 1462269538.55521393 Potential (112.66132s) started
T12 << 1462269544.51098895 Potential (118.61710s) stopped
T12 >> 1462269544.51104498 Get density matrix (751.05595s) started
T12 << 1462269575.21058202 Get density matrix (781.75549s) stopped
T12 >> 1462269575.21065307 Prepare TCI loop (39.22460s) started
T12 >> 1462269575.21119308 Get neighbors (35.78166s) started
T12 << 1462269577.08609605 Get neighbors (37.65657s) stopped
T12 >> 1462269577.08694410 broadcast dH (3.42280s) started
T12 << 1462269577.29092097 broadcast dH (3.62678s) stopped
T12 << 1462269577.29096293 Prepare TCI loop (41.30491s) stopped
T12 >> 1462269577.29098201 Not so complicated loop (2.19769s) started
T12 << 1462269577.40546393 Not so complicated loop (2.31217s) stopped
T12 >> 1462269577.51926494 Complicated loop (331.01332s) started
T12 << 1462269595.64297605 Complicated loop (349.13703s) stopped
T12 >> 1462269595.64396405 Wait for sum (173.88542s) started
T12 << 1462269605.32484198 Wait for sum (183.56629s) stopped
T12 << 1462269605.32487607 LCAO forces (1479.10490s) stopped
T12 << 1462269606.12292290 Force calculation (1495.61952s) stopped
T12 >> 1462269606.14085388 Initialization (2330.83296s) started
T12 << 1462269606.14102006 Initialization (2330.83312s) stopped
T12 >> 1462269606.14123392 Initialization (2330.83314s) started
T12 << 1462269606.14136410 Initialization (2330.83327s) stopped
T12 >> 1462269606.14149809 Initialization (2330.83328s) started
T12 << 1462269606.14162493 Initialization (2330.83341s) stopped
T12 >> 1462269626.43371391 Initialization (2330.83343s) started
T12 >> 1462269626.54632211 Basic WFS set positions (1.65737s) started
T12 >> 1462269626.54634595 Redistribute (0.00959s) started
T12 << 1462269626.54647589 Redistribute (0.00972s) stopped
T12 << 1462269626.63240695 Basic WFS set positions (1.74346s) stopped
T12 >> 1462269626.63244891 Basis functions set positions (33.77887s) started
T12 << 1462269628.42645907 Basis functions set positions (35.57288s) stopped
T12 >> 1462269628.42690992 TCI: Calculate S, T, P (286.80626s) started
T12 << 1462269643.34543896 TCI: Calculate S, T, P (301.72479s) stopped
T12 >> 1462269643.34549403 blocked summation (378.22122s) started
T12 << 1462269664.70499206 blocked summation (399.58071s) stopped
T12 >> 1462269664.71405506 Scalapack redistribute (139.57418s) started
T12 << 1462269674.55296493 Scalapack redistribute (149.41309s) stopped
T12 >> 1462269674.55394697 blocked summation (399.58078s) started
T12 << 1462269675.63677502 blocked summation (400.66361s) stopped
T12 >> 1462269675.64621592 Scalapack redistribute (149.41315s) started
T12 << 1462269675.87404203 Scalapack redistribute (149.64098s) stopped
T12 >> 1462269675.87621593 Redistribute (0.07600s) started
T12 << 1462269675.87672210 Redistribute (0.07650s) stopped
T12 >> 1462269677.51955295 Redistribute (0.07652s) started
T12 << 1462269677.52004409 Redistribute (0.07701s) stopped
T12 >> 1462269677.53485298 LCAO WFS Initialize (1450.00792s) started
T12 >> 1462269677.53489208 Density initialize from wavefunctions (269.68416s) started
T12 >> 1462269677.54004192 Calculate density matrix (188.12824s) started
T12 << 1462269687.37976599 Calculate density matrix (197.96797s) stopped
T12 >> 1462269687.37981701 Construct density (14.08763s) started
T12 << 1462269688.12068391 Construct density (14.82850s) stopped
T12 >> 1462269688.13597894 Symmetrize density (0.00152s) started
T12 << 1462269688.13603497 Symmetrize density (0.00158s) stopped
T12 << 1462269691.79820299 Density initialize from wavefunctions (283.94747s) stopped
T12 >> 1462269691.79850006 Hamiltonian (1179.40477s) started
T12 >> 1462269691.79851794 vbar (0.56965s) started
T12 << 1462269691.82158899 vbar (0.59272s) stopped
T12 >> 1462269691.82166696 XC 3D grid (575.29989s) started
T12 >> 1462269692.36956406 van der Waals (556.19499s) started
T12 >> 1462269692.48009706 semilocal (115.96613s) started
T12 << 1462269698.28462911 semilocal (121.77066s) stopped
T12 >> 1462269698.36441898 redistribute (66.65557s) started
T12 << 1462269699.33085394 redistribute (67.62200s) stopped
T12 >> 1462269699.33092809 libvdwxc nonlocal (369.73748s) started
T12 << 1462269717.73286009 libvdwxc nonlocal (388.13941s) stopped
T12 >> 1462269717.73292208 redistribute (67.62205s) started
T12 << 1462269719.40903497 redistribute (69.29817s) stopped
T12 << 1462269719.41026306 van der Waals (583.23569s) stopped
T12 << 1462269719.86866999 XC 3D grid (603.34689s) stopped
T12 >> 1462269719.86871195 Poisson (330.48005s) started
T12 << 1462269735.42952108 Poisson (346.04086s) stopped
T12 >> 1462269735.42958808 Hartree integrate/restrict (7.40041s) started
T12 << 1462269735.47346807 Hartree integrate/restrict (7.44429s) stopped
T12 >> 1462269735.47351289 Hartree integrate/restrict (7.44432s) started
T12 << 1462269735.78606105 Hartree integrate/restrict (7.75687s) stopped
T12 >> 1462269735.78621793 Atomic (47.01514s) started
T12 >> 1462269735.78823900 XC Correction (0.00079s) started
T12 << 1462269735.78825808 XC Correction (0.00081s) stopped
T12 << 1462269738.17472696 Atomic (49.40365s) stopped
T12 >> 1462269738.17490101 Communicate (218.60495s) started
T12 << 1462269752.65810299 Communicate (233.08815s) stopped
T12 << 1462269752.65813899 Hamiltonian (1240.26441s) stopped
T12 << 1462269752.65815306 LCAO WFS Initialize (1525.13122s) stopped
T12 << 1462269752.67034602 Initialization (2457.07006s) stopped
T12 >> 1462269752.69610405 SCF-cycle (38170.91759s) started
T12 >> 1462269752.69613791 LCAO eigensolver (19330.92992s) started
T12 >> 1462269752.69615102 Potential matrix (293.02838s) started
T12 << 1462269753.64615297 Potential matrix (293.97838s) stopped
T12 >> 1462269753.64623809 DistributedAtomicCorrection (115.78075s) started
T12 << 1462269754.03144407 DistributedAtomicCorrection (116.16596s) stopped
T12 >> 1462269754.03149009 Distribute overlap matrix (2109.86649s) started
T12 >> 1462269754.03151798 blocked summation (1190.90400s) started
T12 << 1462269758.22220993 blocked summation (1195.09469s) stopped
T12 >> 1462269758.23180795 Scalapack redistribute (915.96824s) started
T12 << 1462269761.58328891 Scalapack redistribute (919.31972s) stopped
T12 << 1462269761.58337688 Distribute overlap matrix (2117.41837s) stopped
T12 >> 1462269761.58738708 Blacs Orbital Layouts (16282.94814s) started
T12 >> 1462269761.59536910 General diagonalize (16217.47986s) started
T12 << 1462269817.37103295 General diagonalize (16273.25553s) stopped
T12 >> 1462269817.37107992 Redistribute coefs (2.43271s) started
T12 << 1462269817.37877393 Redistribute coefs (2.44040s) stopped
T12 >> 1462269817.37884498 Send coefs to domains (60.31725s) started
T12 << 1462269817.49029803 Send coefs to domains (60.42870s) stopped
T12 << 1462269817.49048305 Blacs Orbital Layouts (16338.85124s) stopped
T12 >> 1462269817.49050999 Calculate projections (527.81510s) started
T12 << 1462269819.25536704 Calculate projections (529.57996s) stopped
T12 << 1462269819.25555301 LCAO eigensolver (19397.48934s) stopped
T12 >> 1462269822.38766789 Density (4676.81062s) started
T12 >> 1462269822.38768291 Pseudo density (3629.86585s) started
T12 >> 1462269822.39026308 Calculate density matrix (3411.60304s) started
T12 << 1462269834.34702110 Calculate density matrix (3423.55980s) stopped
T12 >> 1462269834.34706807 Construct density (212.48413s) started
T12 << 1462269835.08873892 Construct density (213.22580s) stopped
T12 >> 1462269835.10267591 Symmetrize density (0.02422s) started
T12 << 1462269835.10274291 Symmetrize density (0.02429s) stopped
T12 << 1462269835.10474205 Pseudo density (3642.58291s) stopped
T12 >> 1462269835.10480499 Atomic density matrices (919.71427s) started
T12 << 1462269838.45622897 Atomic density matrices (923.06569s) stopped
T12 >> 1462269838.45626092 Multipole moments (2.90087s) started
T12 << 1462269838.46801400 Multipole moments (2.91262s) stopped
T12 >> 1462269838.46803689 Normalize (1.96162s) started
T12 << 1462269838.47422004 Normalize (1.96780s) stopped
T12 >> 1462269838.47432089 Mix (122.34644s) started
T12 << 1462269838.79456902 Mix (122.66669s) stopped
T12 << 1462269838.79462504 Density (4693.21758s) stopped
T12 >> 1462269838.79464889 Hamiltonian (13190.22035s) started
T12 >> 1462269838.79466391 vbar (7.92979s) started
T12 << 1462269838.81718993 vbar (7.95232s) stopped
T12 >> 1462269838.81729388 XC 3D grid (8106.09990s) started
T12 >> 1462269839.36060691 van der Waals (7833.05186s) started
T12 >> 1462269839.47119498 semilocal (1650.19660s) started
T12 << 1462269845.24572301 semilocal (1655.97113s) stopped
T12 >> 1462269845.32448292 redistribute (841.40590s) started
T12 << 1462269846.35951805 redistribute (842.44093s) stopped
T12 >> 1462269846.35956001 libvdwxc nonlocal (5286.83097s) started
T12 << 1462269864.93922091 libvdwxc nonlocal (5305.41063s) stopped
T12 >> 1462269864.93928695 redistribute (842.44096s) started
T12 << 1462269866.70024705 redistribute (844.20192s) stopped
T12 << 1462269866.70141912 van der Waals (7860.39267s) stopped
T12 << 1462269867.15995193 XC 3D grid (8134.44255s) stopped
T12 >> 1462269867.15999508 Poisson (1858.01608s) started
T12 << 1462269873.10368204 Poisson (1863.95977s) stopped
T12 >> 1462269873.10375094 Hartree integrate/restrict (105.27889s) started
T12 << 1462269873.15343189 Hartree integrate/restrict (105.32857s) stopped
T12 >> 1462269873.15351009 Hartree integrate/restrict (105.32863s) started
T12 << 1462269873.46776295 Hartree integrate/restrict (105.64288s) stopped
T12 >> 1462269873.46790910 Atomic (681.37678s) started
T12 >> 1462269873.46974993 XC Correction (0.00938s) started
T12 << 1462269873.46976399 XC Correction (0.00939s) stopped
T12 << 1462269875.87882304 Atomic (683.78769s) stopped
T12 >> 1462269875.87899709 Communicate (2431.38853s) started
T12 << 1462269890.39838290 Communicate (2445.90791s) stopped
T12 << 1462269890.39841890 Hamiltonian (13241.82412s) stopped
T12 >> 1462269890.39844489 LCAO eigensolver (19397.48936s) started
T12 >> 1462269890.39845705 Potential matrix (293.97843s) started
T12 << 1462269891.34915900 Potential matrix (294.92914s) stopped
T12 >> 1462269891.34924412 DistributedAtomicCorrection (116.16600s) started
T12 << 1462269891.73934698 DistributedAtomicCorrection (116.55610s) stopped
T12 >> 1462269891.73939300 Distribute overlap matrix (2117.41838s) started
T12 >> 1462269891.73942304 blocked summation (1195.09474s) started
T12 << 1462269895.93524289 blocked summation (1199.29056s) stopped
T12 >> 1462269895.94496107 Scalapack redistribute (919.31977s) started
T12 << 1462269899.26747894 Scalapack redistribute (922.64229s) stopped
T12 << 1462269899.26758003 Distribute overlap matrix (2124.94657s) stopped
T12 >> 1462269899.27186894 Blacs Orbital Layouts (16338.85126s) started
T12 >> 1462269899.28030992 General diagonalize (16273.25556s) started
T12 << 1462269953.31550097 General diagonalize (16327.29076s) stopped
T12 >> 1462269953.31556511 Redistribute coefs (2.44046s) started
T12 << 1462269953.32335711 Redistribute coefs (2.44825s) stopped
T12 >> 1462269953.32343197 Send coefs to domains (60.42873s) started
T12 << 1462269953.83020711 Send coefs to domains (60.93551s) stopped
T12 << 1462269953.83041811 Blacs Orbital Layouts (16393.40981s) stopped
T12 >> 1462269953.83044505 Calculate projections (529.58000s) started
T12 << 1462269955.59516406 Calculate projections (531.34472s) stopped
T12 << 1462269955.59534192 LCAO eigensolver (19462.68625s) stopped
T12 >> 1462269958.72622895 Density (4693.21759s) started
T12 >> 1462269958.72624397 Pseudo density (3642.58296s) started
T12 >> 1462269958.72899199 Calculate density matrix (3423.55983s) started
T12 << 1462269970.64908004 Calculate density matrix (3435.47992s) stopped
T12 >> 1462269970.64912796 Construct density (213.22585s) started
T12 << 1462269971.39140797 Construct density (213.96813s) stopped
T12 >> 1462269971.40551805 Symmetrize density (0.02430s) started
T12 << 1462269971.40558290 Symmetrize density (0.02437s) stopped
T12 << 1462269971.40759492 Pseudo density (3655.26431s) stopped
T12 >> 1462269971.40765405 Atomic density matrices (923.06571s) started
T12 << 1462269974.81410599 Atomic density matrices (926.47217s) stopped
T12 >> 1462269974.81413794 Multipole moments (2.91264s) started
T12 << 1462269974.82598305 Multipole moments (2.92448s) stopped
T12 >> 1462269974.82600689 Normalize (1.96788s) started
T12 << 1462269974.83220792 Normalize (1.97408s) stopped
T12 >> 1462269974.83229995 Mix (122.66674s) started
T12 << 1462269975.19926000 Mix (123.03370s) stopped
T12 << 1462269975.19931197 Density (4709.69068s) stopped
T12 >> 1462269975.19933796 Hamiltonian (13241.82413s) started
T12 >> 1462269975.19935203 vbar (7.95238s) started
T12 << 1462269975.21887589 vbar (7.97191s) stopped
T12 >> 1462269975.21895289 XC 3D grid (8134.44259s) started
T12 >> 1462269975.72976804 van der Waals (7860.39270s) started
T12 >> 1462269975.83793092 semilocal (1655.97126s) started
T12 << 1462269981.58791590 semilocal (1661.72125s) stopped
T12 >> 1462269981.68251705 redistribute (844.20198s) started
T12 << 1462269982.72449994 redistribute (845.24396s) stopped
T12 >> 1462269982.72456694 libvdwxc nonlocal (5305.41068s) started
T12 << 1462270001.14200592 libvdwxc nonlocal (5323.82812s) stopped
T12 >> 1462270001.14206910 redistribute (845.24402s) started
T12 << 1462270002.82095194 redistribute (846.92290s) stopped
T12 << 1462270002.82213998 van der Waals (7887.48507s) stopped
T12 << 1462270003.28335404 XC 3D grid (8162.50699s) stopped
T12 >> 1462270003.28341889 Poisson (1863.95982s) started
T12 << 1462270014.81371188 Poisson (1875.49011s) stopped
T12 >> 1462270014.81385708 Hartree integrate/restrict (105.64293s) started
T12 << 1462270014.86062193 Hartree integrate/restrict (105.68969s) stopped
T12 >> 1462270014.86071992 Hartree integrate/restrict (105.68976s) started
T12 << 1462270015.19708991 Hartree integrate/restrict (106.02613s) stopped
T12 >> 1462270015.19727612 Atomic (683.78771s) started
T12 >> 1462270015.19955397 XC Correction (0.00940s) started
T12 << 1462270015.19957495 XC Correction (0.00942s) stopped
T12 << 1462270017.60440612 Atomic (686.19484s) stopped
T12 >> 1462270017.60456896 Communicate (2445.90793s) started
T12 << 1462270031.84274507 Communicate (2460.14611s) stopped
T12 << 1462270031.84278107 Hamiltonian (13298.46757s) stopped
T12 >> 1462270031.84281111 LCAO eigensolver (19462.68627s) started
T12 >> 1462270031.84282398 Potential matrix (294.92919s) started
T12 << 1462270032.79051709 Potential matrix (295.87688s) stopped
T12 >> 1462270032.79058695 DistributedAtomicCorrection (116.55614s) started
T12 << 1462270033.18774104 DistributedAtomicCorrection (116.95329s) stopped
T12 >> 1462270033.18779302 Distribute overlap matrix (2124.94658s) started
T12 >> 1462270033.18782401 blocked summation (1199.29061s) started
T12 << 1462270037.36930704 blocked summation (1203.47210s) stopped
T12 >> 1462270037.37844300 Scalapack redistribute (922.64235s) started
T12 << 1462270040.58574200 Scalapack redistribute (925.84965s) stopped
T12 << 1462270040.58581710 Distribute overlap matrix (2132.34461s) stopped
T12 >> 1462270040.58978105 Blacs Orbital Layouts (16393.40983s) started
T12 >> 1462270040.59764409 General diagonalize (16327.29081s) started
T12 << 1462270094.78517699 General diagonalize (16381.47834s) stopped
T12 >> 1462270094.78522205 Redistribute coefs (2.44831s) started
T12 << 1462270094.79254603 Redistribute coefs (2.45564s) stopped
T12 >> 1462270094.79262090 Send coefs to domains (60.93554s) started
T12 << 1462270094.96080899 Send coefs to domains (61.10373s) stopped
T12 << 1462270094.96101809 Blacs Orbital Layouts (16447.78106s) stopped
T12 >> 1462270094.96104503 Calculate projections (531.34477s) started
T12 << 1462270096.72594404 Calculate projections (533.10967s) stopped
T12 << 1462270096.72612500 LCAO eigensolver (19527.56959s) stopped
T12 >> 1462270099.84145689 Density (4709.69069s) started
T12 >> 1462270099.84147191 Pseudo density (3655.26436s) started
T12 >> 1462270099.84365892 Calculate density matrix (3435.47996s) started
T12 << 1462270111.79139209 Calculate density matrix (3447.42769s) stopped
T12 >> 1462270111.79143906 Construct density (213.96818s) started
T12 << 1462270112.53289604 Construct density (214.70964s) stopped
T12 >> 1462270112.54675889 Symmetrize density (0.02439s) started
T12 << 1462270112.54682589 Symmetrize density (0.02445s) stopped
T12 << 1462270112.54884791 Pseudo density (3667.97173s) stopped
T12 >> 1462270112.54890490 Atomic density matrices (926.47219s) started
T12 << 1462270115.88837600 Atomic density matrices (929.81166s) stopped
T12 >> 1462270115.88840795 Multipole moments (2.92450s) started
T12 << 1462270115.90109992 Multipole moments (2.93719s) stopped
T12 >> 1462270115.90112305 Normalize (1.97416s) started
T12 << 1462270115.90718889 Normalize (1.98022s) stopped
T12 >> 1462270115.90731192 Mix (123.03375s) started
T12 << 1462270116.33763194 Mix (123.46407s) stopped
T12 << 1462270116.33766389 Density (4726.18690s) stopped
T12 >> 1462270116.33768702 Hamiltonian (13298.46759s) started
T12 >> 1462270116.33770204 vbar (7.97195s) started
T12 << 1462270116.37500405 vbar (8.00925s) stopped
T12 >> 1462270116.37511802 XC 3D grid (8162.50704s) started
T12 >> 1462270116.85063004 van der Waals (7887.48510s) started
T12 >> 1462270116.96496010 semilocal (1661.72139s) started
T12 << 1462270122.80427504 semilocal (1667.56070s) stopped
T12 >> 1462270122.87909889 redistribute (846.92295s) started
T12 << 1462270123.83670998 redistribute (847.88056s) stopped
T12 >> 1462270123.83676004 libvdwxc nonlocal (5323.82817s) started
T12 << 1462270142.19378710 libvdwxc nonlocal (5342.18520s) stopped
T12 >> 1462270142.19387794 redistribute (847.88060s) started
T12 << 1462270144.21311402 redistribute (849.89984s) stopped
T12 << 1462270144.21418810 van der Waals (7914.84866s) stopped
T12 << 1462270144.68032598 XC 3D grid (8190.81225s) stopped
T12 >> 1462270144.68039203 Poisson (1875.49022s) started
T12 << 1462270153.30434489 Poisson (1884.11417s) stopped
T12 >> 1462270153.30443501 Hartree integrate/restrict (106.02619s) started
T12 << 1462270153.34185600 Hartree integrate/restrict (106.06361s) stopped
T12 >> 1462270153.34194803 Hartree integrate/restrict (106.06367s) started
T12 << 1462270153.67283607 Hartree integrate/restrict (106.39456s) stopped
T12 >> 1462270153.67296505 Atomic (686.19487s) started
T12 >> 1462270153.67470193 XC Correction (0.00944s) started
T12 << 1462270153.67471695 XC Correction (0.00945s) stopped
T12 << 1462270156.09185791 Atomic (688.61376s) stopped
T12 >> 1462270156.09203410 Communicate (2460.14613s) started
T12 << 1462270169.54969406 Communicate (2473.60379s) stopped
T12 << 1462270169.54973698 Hamiltonian (13351.67964s) stopped
T12 >> 1462270169.54976296 LCAO eigensolver (19527.56960s) started
T12 >> 1462270169.54977608 Potential matrix (295.87692s) started
T12 << 1462270170.49734092 Potential matrix (296.82449s) stopped
T12 >> 1462270170.49743700 DistributedAtomicCorrection (116.95333s) started
T12 << 1462270170.89372206 DistributedAtomicCorrection (117.34962s) stopped
T12 >> 1462270170.89376998 Distribute overlap matrix (2132.34462s) started
T12 >> 1462270170.89380503 blocked summation (1203.47215s) started
T12 << 1462270175.03832793 blocked summation (1207.61667s) stopped
T12 >> 1462270175.04789996 Scalapack redistribute (925.84971s) started
T12 << 1462270178.29014802 Scalapack redistribute (929.09196s) stopped
T12 << 1462270178.29024410 Distribute overlap matrix (2139.74109s) stopped
T12 >> 1462270178.29483294 Blacs Orbital Layouts (16447.78108s) started
T12 >> 1462270178.30283403 General diagonalize (16381.47838s) started
T12 << 1462270230.95480299 General diagonalize (16434.13035s) stopped
T12 >> 1462270230.95485091 Redistribute coefs (2.45570s) started
T12 << 1462270230.96255398 Redistribute coefs (2.46340s) stopped
T12 >> 1462270230.96261907 Send coefs to domains (61.10376s) started
T12 << 1462270231.05164599 Send coefs to domains (61.19279s) stopped
T12 << 1462270231.05186391 Blacs Orbital Layouts (16500.53811s) stopped
T12 >> 1462270231.05189109 Calculate projections (533.10971s) started
T12 << 1462270232.82131505 Calculate projections (534.87914s) stopped
T12 << 1462270232.82179999 LCAO eigensolver (19590.84164s) stopped
T12 >> 1462270235.94367003 Density (4726.18691s) started
T12 >> 1462270235.94368505 Pseudo density (3667.97178s) started
T12 >> 1462270235.94606090 Calculate density matrix (3447.42772s) started
T12 << 1462270247.91685510 Calculate density matrix (3459.39852s) stopped
T12 >> 1462270247.91690302 Construct density (214.70969s) started
T12 << 1462270248.65871191 Construct density (215.45150s) stopped
T12 >> 1462270248.67247796 Symmetrize density (0.02447s) started
T12 << 1462270248.67253494 Symmetrize density (0.02453s) stopped
T12 << 1462270248.67461896 Pseudo density (3680.70271s) stopped
T12 >> 1462270248.67467594 Atomic density matrices (929.81169s) started
T12 << 1462270252.02009106 Atomic density matrices (933.15710s) stopped
T12 >> 1462270252.02012396 Multipole moments (2.93721s) started
T12 << 1462270252.03261495 Multipole moments (2.94970s) stopped
T12 >> 1462270252.03263807 Normalize (1.98033s) started
T12 << 1462270252.03869510 Normalize (1.98638s) stopped
T12 >> 1462270252.03879094 Mix (123.46410s) started
T12 << 1462270252.45096207 Mix (123.87627s) stopped
T12 << 1462270252.45101094 Density (4742.69425s) stopped
T12 >> 1462270252.45103502 Hamiltonian (13351.67965s) started
T12 >> 1462270252.45105004 vbar (8.00931s) started
T12 << 1462270252.47275209 vbar (8.03101s) stopped
T12 >> 1462270252.47282505 XC 3D grid (8190.81230s) started
T12 >> 1462270252.98815608 van der Waals (7914.84869s) started
T12 >> 1462270253.09854198 semilocal (1667.56078s) started
T12 << 1462270258.90117192 semilocal (1673.36341s) stopped
T12 >> 1462270258.97693110 redistribute (849.89988s) started
T12 << 1462270259.97601390 redistribute (850.89896s) stopped
T12 >> 1462270259.97605705 libvdwxc nonlocal (5342.18527s) started
T12 << 1462270278.34514403 libvdwxc nonlocal (5360.55436s) stopped
T12 >> 1462270278.34520793 redistribute (850.89899s) started
T12 << 1462270280.08732510 redistribute (852.64111s) stopped
T12 << 1462270280.08851004 van der Waals (7941.94904s) stopped
T12 << 1462270280.55047798 XC 3D grid (8218.88996s) stopped
T12 >> 1462270280.55051994 Poisson (1884.11424s) started
T12 << 1462270286.38004303 Poisson (1889.94376s) stopped
T12 >> 1462270286.38011503 Hartree integrate/restrict (106.39459s) started
T12 << 1462270286.43155503 Hartree integrate/restrict (106.44603s) stopped
T12 >> 1462270286.43159795 Hartree integrate/restrict (106.44606s) started
T12 << 1462270286.77219296 Hartree integrate/restrict (106.78665s) stopped
T12 >> 1462270286.77234602 Atomic (688.61378s) started
T12 >> 1462270286.77410793 XC Correction (0.00946s) started
T12 << 1462270286.77412605 XC Correction (0.00948s) stopped
T12 << 1462270289.17264295 Atomic (691.01408s) stopped
T12 >> 1462270289.17279005 Communicate (2473.60382s) started
T12 << 1462270301.63840294 Communicate (2486.06944s) stopped
T12 << 1462270301.63843989 Hamiltonian (13400.86705s) stopped
T12 >> 1462270301.63846493 LCAO eigensolver (19590.84166s) started
T12 >> 1462270301.63847804 Potential matrix (296.82454s) started
T12 << 1462270302.59042907 Potential matrix (297.77649s) stopped
T12 >> 1462270302.59051490 DistributedAtomicCorrection (117.34966s) started
T12 << 1462270302.98171091 DistributedAtomicCorrection (117.74085s) stopped
T12 >> 1462270302.98175812 Distribute overlap matrix (2139.74111s) started
T12 >> 1462270302.98179197 blocked summation (1207.61671s) started
T12 << 1462270306.97934198 blocked summation (1211.61426s) stopped
T12 >> 1462270306.98908305 Scalapack redistribute (929.09203s) started
T12 << 1462270310.18281198 Scalapack redistribute (932.28575s) stopped
T12 << 1462270310.18290901 Distribute overlap matrix (2146.94226s) stopped
T12 >> 1462270310.18700790 Blacs Orbital Layouts (16500.53813s) started
T12 >> 1462270310.19529009 General diagonalize (16434.13039s) started
T12 << 1462270364.22237396 General diagonalize (16488.15747s) stopped
T12 >> 1462270364.22242093 Redistribute coefs (2.46346s) started
T12 << 1462270364.22947907 Redistribute coefs (2.47051s) stopped
T12 >> 1462270364.22956491 Send coefs to domains (61.19282s) started
T12 << 1462270364.31955409 Send coefs to domains (61.28281s) stopped
T12 << 1462270364.31974697 Blacs Orbital Layouts (16554.67087s) stopped
T12 >> 1462270364.31977296 Calculate projections (534.87919s) started
T12 << 1462270366.08509803 Calculate projections (536.64451s) stopped
T12 << 1462270366.08545899 LCAO eigensolver (19655.28865s) stopped
T12 >> 1462270369.19585609 Density (4742.69426s) started
T12 >> 1462270369.19587111 Pseudo density (3680.70276s) started
T12 >> 1462270369.19789791 Calculate density matrix (3459.39855s) started
T12 << 1462270381.12582994 Calculate density matrix (3471.32648s) stopped
T12 >> 1462270381.12587905 Construct density (215.45155s) started
T12 << 1462270381.86606693 Construct density (216.19174s) stopped
T12 >> 1462270381.88052607 Symmetrize density (0.02454s) started
T12 << 1462270381.88058209 Symmetrize density (0.02460s) stopped
T12 << 1462270381.88267398 Pseudo density (3693.38956s) stopped
T12 >> 1462270381.88272905 Atomic density matrices (933.15713s) started
T12 << 1462270385.36279392 Atomic density matrices (936.63719s) stopped
T12 >> 1462270385.36282492 Multipole moments (2.94971s) started
T12 << 1462270385.37472296 Multipole moments (2.96161s) stopped
T12 >> 1462270385.37475109 Normalize (1.98644s) started
T12 << 1462270385.38125610 Normalize (1.99295s) stopped
T12 >> 1462270385.38135409 Mix (123.87632s) started
T12 << 1462270385.81051493 Mix (124.30548s) stopped
T12 << 1462270385.81056690 Density (4759.30897s) stopped
T12 >> 1462270385.81059289 Hamiltonian (13400.86707s) started
T12 >> 1462270385.81060791 vbar (8.03106s) started
T12 << 1462270385.84825993 vbar (8.06871s) stopped
T12 >> 1462270385.84837508 XC 3D grid (8218.88999s) started
T12 >> 1462270386.31408310 van der Waals (7941.94907s) started
T12 >> 1462270386.42445397 semilocal (1673.36351s) started
T12 << 1462270392.14272690 semilocal (1679.08178s) stopped
T12 >> 1462270392.23195291 redistribute (852.64115s) started
T12 << 1462270393.33984303 redistribute (853.74904s) stopped
T12 >> 1462270393.33988309 libvdwxc nonlocal (5360.55441s) started
T12 << 1462270412.28296995 libvdwxc nonlocal (5379.49749s) stopped
T12 >> 1462270412.28305697 redistribute (853.74907s) started
T12 << 1462270413.98032498 redistribute (855.44634s) stopped
T12 << 1462270413.98133302 van der Waals (7969.61632s) stopped
T12 << 1462270414.43842793 XC 3D grid (8247.48004s) stopped
T12 >> 1462270414.43846798 Poisson (1889.94382s) started
T12 << 1462270421.84265995 Poisson (1897.34801s) stopped
T12 >> 1462270421.84272003 Hartree integrate/restrict (106.78670s) started
T12 << 1462270421.89819503 Hartree integrate/restrict (106.84217s) stopped
T12 >> 1462270421.89824104 Hartree integrate/restrict (106.84220s) started
T12 << 1462270422.18753505 Hartree integrate/restrict (107.13150s) stopped
T12 >> 1462270422.18768096 Atomic (691.01410s) started
T12 >> 1462270422.18929291 XC Correction (0.00949s) started
T12 << 1462270422.18930793 XC Correction (0.00951s) stopped
T12 << 1462270424.62600899 Atomic (693.45243s) stopped
T12 >> 1462270424.62614989 Communicate (2486.06946s) started
T12 << 1462270436.84454989 Communicate (2498.28786s) stopped
T12 << 1462270436.84458709 Hamiltonian (13451.90106s) stopped
T12 >> 1462270436.84461308 LCAO eigensolver (19655.28867s) started
T12 >> 1462270436.84462500 Potential matrix (297.77654s) started
T12 << 1462270437.80217695 Potential matrix (298.73409s) stopped
T12 >> 1462270437.80226302 DistributedAtomicCorrection (117.74089s) started
T12 << 1462270438.23717189 DistributedAtomicCorrection (118.17580s) stopped
T12 >> 1462270438.23722005 Distribute overlap matrix (2146.94227s) started
T12 >> 1462270438.23724794 blocked summation (1211.61431s) started
T12 << 1462270442.16888499 blocked summation (1215.54595s) stopped
T12 >> 1462270442.17823291 Scalapack redistribute (932.28581s) started
T12 << 1462270445.36573792 Scalapack redistribute (935.47332s) stopped
T12 << 1462270445.36584711 Distribute overlap matrix (2154.07090s) stopped
T12 >> 1462270445.37130904 Blacs Orbital Layouts (16554.67089s) started
T12 >> 1462270445.37984109 General diagonalize (16488.15751s) started
T12 << 1462270497.17262006 General diagonalize (16539.95029s) stopped
T12 >> 1462270497.17266607 Redistribute coefs (2.47058s) started
T12 << 1462270497.17987800 Redistribute coefs (2.47779s) stopped
T12 >> 1462270497.17995691 Send coefs to domains (61.28284s) started
T12 << 1462270497.50497293 Send coefs to domains (61.60786s) stopped
T12 << 1462270497.50516105 Blacs Orbital Layouts (16606.80474s) stopped
T12 >> 1462270497.50518799 Calculate projections (536.64456s) started
T12 << 1462270499.27077103 Calculate projections (538.41014s) stopped
T12 << 1462270499.27112699 LCAO eigensolver (19717.71519s) stopped
T12 >> 1462270502.39909911 Density (4759.30899s) started
T12 >> 1462270502.39911509 Pseudo density (3693.38961s) started
T12 >> 1462270502.40122294 Calculate density matrix (3471.32652s) started
T12 << 1462270514.34912992 Calculate density matrix (3483.27442s) stopped
T12 >> 1462270514.34917903 Construct density (216.19179s) started
T12 << 1462270515.09118795 Construct density (216.93380s) stopped
T12 >> 1462270515.10599709 Symmetrize density (0.02461s) started
T12 << 1462270515.10605311 Symmetrize density (0.02467s) stopped
T12 << 1462270515.10814500 Pseudo density (3706.09864s) stopped
T12 >> 1462270515.10820198 Atomic density matrices (936.63722s) started
T12 << 1462270518.46683502 Atomic density matrices (939.99585s) stopped
T12 >> 1462270518.46686792 Multipole moments (2.96163s) started
T12 << 1462270518.47942090 Multipole moments (2.97418s) stopped
T12 >> 1462270518.47944999 Normalize (1.99303s) started
T12 << 1462270518.48559499 Normalize (1.99917s) stopped
T12 >> 1462270518.48565412 Mix (124.30553s) started
T12 << 1462270518.89119411 Mix (124.71107s) stopped
T12 << 1462270518.89124608 Density (4775.80113s) stopped
T12 >> 1462270518.89127398 Hamiltonian (13451.90107s) started
T12 >> 1462270518.89128995 vbar (8.06876s) started
T12 << 1462270518.91411304 vbar (8.09158s) stopped
T12 >> 1462270518.91421795 XC 3D grid (8247.48007s) started
T12 >> 1462270519.43960094 van der Waals (7969.61634s) started
T12 >> 1462270519.55185699 semilocal (1679.08191s) started
T12 << 1462270525.26085401 semilocal (1684.79090s) stopped
T12 >> 1462270525.34328604 redistribute (855.44637s) started
T12 << 1462270526.39533401 redistribute (856.49842s) stopped
T12 >> 1462270526.39539909 libvdwxc nonlocal (5379.49757s) started
T12 << 1462270545.24977994 libvdwxc nonlocal (5398.35195s) stopped
T12 >> 1462270545.24996901 redistribute (856.49847s) started
T12 << 1462270547.04738808 redistribute (858.29589s) stopped
T12 << 1462270547.04855204 van der Waals (7997.22529s) stopped
T12 << 1462270547.50652194 XC 3D grid (8276.07238s) stopped
T12 >> 1462270547.50656295 Poisson (1897.34805s) started
T12 << 1462270551.91228104 Poisson (1901.75377s) stopped
T12 >> 1462270551.91234398 Hartree integrate/restrict (107.13155s) started
T12 << 1462270551.96668291 Hartree integrate/restrict (107.18588s) stopped
T12 >> 1462270551.96675491 Hartree integrate/restrict (107.18594s) started
T12 << 1462270552.29035401 Hartree integrate/restrict (107.50954s) stopped
T12 >> 1462270552.29046988 Atomic (693.45245s) started
T12 >> 1462270552.29217410 XC Correction (0.00952s) started
T12 << 1462270552.29220009 XC Correction (0.00954s) stopped
T12 << 1462270554.70434308 Atomic (695.86633s) stopped
T12 >> 1462270554.70447302 Communicate (2498.28789s) started
T12 << 1462270567.00122309 Communicate (2510.58464s) stopped
T12 << 1462270567.00126004 Hamiltonian (13500.01106s) stopped
T12 >> 1462270567.00128603 LCAO eigensolver (19717.71521s) started
T12 >> 1462270567.00129890 Potential matrix (298.73415s) started
T12 << 1462270567.94181991 Potential matrix (299.67467s) stopped
T12 >> 1462270567.94188809 DistributedAtomicCorrection (118.17584s) started
T12 << 1462270568.36105800 DistributedAtomicCorrection (118.59501s) stopped
T12 >> 1462270568.36110497 Distribute overlap matrix (2154.07091s) started
T12 >> 1462270568.36113501 blocked summation (1215.54598s) started
T12 << 1462270572.25434494 blocked summation (1219.43919s) stopped
T12 >> 1462270572.26348400 Scalapack redistribute (935.47339s) started
T12 << 1462270575.62937808 Scalapack redistribute (938.83928s) stopped
T12 << 1462270575.62945509 Distribute overlap matrix (2161.33926s) stopped
T12 >> 1462270575.63378096 Blacs Orbital Layouts (16606.80476s) started
T12 >> 1462270575.64215207 General diagonalize (16539.95033s) started
T12 << 1462270629.83856201 General diagonalize (16594.14674s) stopped
T12 >> 1462270629.83860803 Redistribute coefs (2.47786s) started
T12 << 1462270629.84608889 Redistribute coefs (2.48534s) stopped
T12 >> 1462270629.84615993 Send coefs to domains (61.60789s) started
T12 << 1462270629.93635988 Send coefs to domains (61.69809s) stopped
T12 << 1462270629.93656898 Blacs Orbital Layouts (16661.10755s) stopped
T12 >> 1462270629.93659592 Calculate projections (538.41019s) started
T12 << 1462270631.70258904 Calculate projections (540.17619s) stopped
T12 << 1462270631.70277691 LCAO eigensolver (19782.41670s) stopped
T12 >> 1462270634.81598210 Density (4775.80115s) started
T12 >> 1462270634.81599689 Pseudo density (3706.09868s) started
T12 >> 1462270634.81792688 Calculate density matrix (3483.27446s) started
T12 << 1462270647.73936200 Calculate density matrix (3496.19589s) stopped
T12 >> 1462270647.73940802 Construct density (216.93385s) started
T12 << 1462270648.48245406 Construct density (217.67690s) stopped
T12 >> 1462270648.49646807 Symmetrize density (0.02469s) started
T12 << 1462270648.49652410 Symmetrize density (0.02474s) stopped
T12 << 1462270648.49861789 Pseudo density (3719.78130s) stopped
T12 >> 1462270648.49867511 Atomic density matrices (939.99588s) started
T12 << 1462270651.86643100 Atomic density matrices (943.36363s) stopped
T12 >> 1462270651.86646199 Multipole moments (2.97420s) started
T12 << 1462270651.87898803 Multipole moments (2.98672s) stopped
T12 >> 1462270651.87901711 Normalize (1.99921s) started
T12 << 1462270651.88509297 Normalize (2.00529s) stopped
T12 >> 1462270651.88516903 Mix (124.71113s) started
T12 << 1462270652.28972006 Mix (125.11568s) stopped
T12 << 1462270652.28978491 Density (4793.27495s) stopped
T12 >> 1462270652.28984904 Hamiltonian (13500.01107s) started
T12 >> 1462270652.28986406 vbar (8.09164s) started
T12 << 1462270652.31131411 vbar (8.11309s) stopped
T12 >> 1462270652.31141901 XC 3D grid (8276.07241s) started
T12 >> 1462270652.83081508 van der Waals (7997.22532s) started
T12 >> 1462270652.94340110 semilocal (1684.79098s) started
T12 << 1462270658.64423394 semilocal (1690.49181s) stopped
T12 >> 1462270658.71824408 redistribute (858.29593s) started
T12 << 1462270659.76539397 redistribute (859.34308s) stopped
T12 >> 1462270659.76543593 libvdwxc nonlocal (5398.35212s) started
T12 << 1462270678.81142402 libvdwxc nonlocal (5417.39811s) stopped
T12 >> 1462270678.81147099 redistribute (859.34311s) started
T12 << 1462270680.58224702 redistribute (861.11389s) stopped
T12 << 1462270680.58340406 van der Waals (8024.97791s) stopped
T12 << 1462270681.04713988 XC 3D grid (8304.80813s) stopped
T12 >> 1462270681.04717898 Poisson (1901.75382s) started
T12 << 1462270686.96842289 Poisson (1907.67506s) stopped
T12 >> 1462270686.96848702 Hartree integrate/restrict (107.50957s) started
T12 << 1462270687.01523209 Hartree integrate/restrict (107.55631s) stopped
T12 >> 1462270687.01528502 Hartree integrate/restrict (107.55634s) started
T12 << 1462270687.34236097 Hartree integrate/restrict (107.88342s) stopped
T12 >> 1462270687.34248710 Atomic (695.86635s) started
T12 >> 1462270687.34409690 XC Correction (0.00956s) started
T12 << 1462270687.34411192 XC Correction (0.00957s) stopped
T12 << 1462270689.74864602 Atomic (698.27251s) stopped
T12 >> 1462270689.74875998 Communicate (2510.58466s) started
T12 << 1462270701.98939896 Communicate (2522.82530s) stopped
T12 << 1462270701.98943591 Hamiltonian (13549.71066s) stopped
T12 >> 1462270701.98946190 LCAO eigensolver (19782.41672s) started
T12 >> 1462270701.98947501 Potential matrix (299.67471s) started
T12 << 1462270702.94238806 Potential matrix (300.62762s) stopped
T12 >> 1462270702.94245911 DistributedAtomicCorrection (118.59505s) started
T12 << 1462270703.36475897 DistributedAtomicCorrection (119.01735s) stopped
T12 >> 1462270703.36481094 Distribute overlap matrix (2161.33927s) started
T12 >> 1462270703.36484098 blocked summation (1219.43924s) started
T12 << 1462270707.25097895 blocked summation (1223.32538s) stopped
T12 >> 1462270707.25989103 Scalapack redistribute (938.83932s) started
T12 << 1462270710.59029102 Scalapack redistribute (942.16972s) stopped
T12 << 1462270710.59034300 Distribute overlap matrix (2168.56481s) stopped
T12 >> 1462270710.59561706 Blacs Orbital Layouts (16661.10757s) started
T12 >> 1462270710.60391808 General diagonalize (16594.14678s) started
T12 << 1462270765.44000292 General diagonalize (16648.98286s) stopped
T12 >> 1462270765.44011092 Redistribute coefs (2.48540s) started
T12 << 1462270765.44775105 Redistribute coefs (2.49304s) stopped
T12 >> 1462270765.44783211 Send coefs to domains (61.69812s) started
T12 << 1462270765.62590003 Send coefs to domains (61.87619s) stopped
T12 << 1462270765.62608099 Blacs Orbital Layouts (16716.13803s) stopped
T12 >> 1462270765.62610793 Calculate projections (540.17624s) started
T12 << 1462270767.39320493 Calculate projections (541.94333s) stopped
T12 << 1462270767.39339209 LCAO eigensolver (19847.82065s) stopped
T12 >> 1462270770.50341797 Density (4793.27500s) started
T12 >> 1462270770.50343299 Pseudo density (3719.78135s) started
T12 >> 1462270770.50536990 Calculate density matrix (3496.19593s) started
T12 << 1462270782.77936411 Calculate density matrix (3508.46992s) stopped
T12 >> 1462270782.77941203 Construct density (217.67695s) started
T12 << 1462270783.52111697 Construct density (218.41865s) stopped
T12 >> 1462270783.53525996 Symmetrize density (0.02476s) started
T12 << 1462270783.53532600 Symmetrize density (0.02482s) stopped
T12 << 1462270783.53741789 Pseudo density (3732.81534s) stopped
T12 >> 1462270783.53747511 Atomic density matrices (943.36366s) started
T12 << 1462270786.87060094 Atomic density matrices (946.69678s) stopped
T12 >> 1462270786.87063408 Multipole moments (2.98674s) started
T12 << 1462270786.88301206 Multipole moments (2.99912s) stopped
T12 >> 1462270786.88304090 Normalize (2.00534s) started
T12 << 1462270786.88915801 Normalize (2.01146s) stopped
T12 >> 1462270786.88927889 Mix (125.11574s) started
T12 << 1462270787.32462502 Mix (125.55109s) stopped
T12 << 1462270787.32468200 Density (4810.09626s) stopped
T12 >> 1462270787.32471108 Hamiltonian (13549.71067s) started
T12 >> 1462270787.32472610 vbar (8.11316s) started
T12 << 1462270787.35633993 vbar (8.14477s) stopped
T12 >> 1462270787.35652804 XC 3D grid (8304.80816s) started
T12 >> 1462270787.84244704 van der Waals (8024.97794s) started
T12 >> 1462270787.95268798 semilocal (1690.49191s) started
T12 << 1462270793.70154190 semilocal (1696.24077s) stopped
T12 >> 1462270793.78153396 redistribute (861.11392s) started
T12 << 1462270794.80663610 redistribute (862.13902s) stopped
T12 >> 1462270794.80667901 libvdwxc nonlocal (5417.39814s) started
T12 << 1462270813.22634101 libvdwxc nonlocal (5435.81781s) stopped
T12 >> 1462270813.22640491 redistribute (862.13905s) started
T12 << 1462270815.06714201 redistribute (863.97979s) stopped
T12 << 1462270815.06827307 van der Waals (8052.20377s) stopped
T12 << 1462270815.53153706 XC 3D grid (8332.98317s) stopped
T12 >> 1462270815.53159499 Poisson (1907.67511s) started
T12 << 1462270819.89047694 Poisson (1912.03399s) stopped
T12 >> 1462270819.89061499 Hartree integrate/restrict (107.88345s) started
T12 << 1462270819.94112492 Hartree integrate/restrict (107.93396s) stopped
T12 >> 1462270819.94121599 Hartree integrate/restrict (107.93403s) started
T12 << 1462270820.25445294 Hartree integrate/restrict (108.24726s) stopped
T12 >> 1462270820.25461292 Atomic (698.27253s) started
T12 >> 1462270820.25628090 XC Correction (0.00958s) started
T12 << 1462270820.25629711 XC Correction (0.00960s) stopped
T12 << 1462270822.67291307 Atomic (700.69083s) stopped
T12 >> 1462270822.67301297 Communicate (2522.82532s) started
T12 << 1462270834.92186403 Communicate (2535.07418s) stopped
T12 << 1462270834.92190194 Hamiltonian (13597.30786s) stopped
T12 >> 1462270834.92192793 LCAO eigensolver (19847.82067s) started
T12 >> 1462270834.92194104 Potential matrix (300.62766s) started
T12 << 1462270835.87701797 Potential matrix (301.58274s) stopped
T12 >> 1462270835.87710500 DistributedAtomicCorrection (119.01740s) started
T12 << 1462270836.27033401 DistributedAtomicCorrection (119.41062s) stopped
T12 >> 1462270836.27038097 Distribute overlap matrix (2168.56482s) started
T12 >> 1462270836.27041101 blocked summation (1223.32543s) started
T12 << 1462270840.20123100 blocked summation (1227.25625s) stopped
T12 >> 1462270840.21045899 Scalapack redistribute (942.16976s) started
T12 << 1462270843.52717090 Scalapack redistribute (945.48647s) stopped
T12 << 1462270843.52725506 Distribute overlap matrix (2175.82169s) stopped
T12 >> 1462270843.53240299 Blacs Orbital Layouts (16716.13805s) started
T12 >> 1462270843.54038501 General diagonalize (16648.98296s) started
T12 << 1462270895.71758795 General diagonalize (16701.16016s) stopped
T12 >> 1462270895.71764588 Redistribute coefs (2.49310s) started
T12 << 1462270895.72550893 Redistribute coefs (2.50097s) stopped
T12 >> 1462270895.72559190 Send coefs to domains (61.87622s) started
T12 << 1462270895.93412900 Send coefs to domains (62.08476s) stopped
T12 << 1462270895.93437696 Blacs Orbital Layouts (16768.54002s) stopped
T12 >> 1462270895.93440604 Calculate projections (541.94338s) started
T12 << 1462270897.71279597 Calculate projections (543.72177s) stopped
T12 << 1462270897.71304798 LCAO eigensolver (19910.61179s) stopped
T12 >> 1462270900.83130503 Density (4810.09628s) started
T12 >> 1462270900.83132005 Pseudo density (3732.81538s) started
T12 >> 1462270900.83421898 Calculate density matrix (3508.46995s) started
T12 << 1462270912.72584391 Calculate density matrix (3520.36158s) stopped
T12 >> 1462270912.72590089 Construct density (218.41871s) started
T12 << 1462270913.46859407 Construct density (219.16140s) stopped
T12 >> 1462270913.48467898 Symmetrize density (0.02484s) started
T12 << 1462270913.48474503 Symmetrize density (0.02491s) stopped
T12 << 1462270913.48724508 Pseudo density (3745.47131s) stopped
T12 >> 1462270913.48731208 Atomic density matrices (946.69681s) started
T12 << 1462270916.85334110 Atomic density matrices (950.06284s) stopped
T12 >> 1462270916.85337806 Multipole moments (2.99914s) started
T12 << 1462270916.86518502 Multipole moments (3.01094s) stopped
T12 >> 1462270916.86521506 Normalize (2.01155s) started
T12 << 1462270916.87201691 Normalize (2.01835s) stopped
T12 >> 1462270916.87206197 Mix (125.55115s) started
T12 << 1462270917.34966493 Mix (126.02875s) stopped
T12 << 1462270917.34972000 Density (4826.61469s) stopped
T12 >> 1462270917.34974694 Hamiltonian (13597.30788s) started
T12 >> 1462270917.34976292 vbar (8.14488s) started
T12 << 1462270917.37696910 vbar (8.17209s) stopped
T12 >> 1462270917.37707710 XC 3D grid (8332.98322s) started
T12 >> 1462270917.82615399 van der Waals (8052.20379s) started
T12 >> 1462270917.93805909 semilocal (1696.24089s) started
T12 << 1462270923.62062311 semilocal (1701.92346s) stopped
T12 >> 1462270923.71404505 redistribute (863.97983s) started
T12 << 1462270924.78997993 redistribute (865.05576s) stopped
T12 >> 1462270924.79002309 libvdwxc nonlocal (5435.81786s) started
T12 << 1462270943.10426998 libvdwxc nonlocal (5454.13210s) stopped
T12 >> 1462270943.10432506 redistribute (865.05580s) started
T12 << 1462270944.77746010 redistribute (866.72893s) stopped
T12 << 1462270944.77835393 van der Waals (8079.15599s) stopped
T12 << 1462270945.24244905 XC 3D grid (8360.84859s) stopped
T12 >> 1462270945.24250293 Poisson (1912.03410s) started
T12 << 1462270949.53698397 Poisson (1916.32858s) stopped
T12 >> 1462270949.53706193 Hartree integrate/restrict (108.24731s) started
T12 << 1462270949.58100605 Hartree integrate/restrict (108.29126s) stopped
T12 >> 1462270949.58108592 Hartree integrate/restrict (108.29131s) started
T12 << 1462270949.88712311 Hartree integrate/restrict (108.59735s) stopped
T12 >> 1462270949.88727188 Atomic (700.69085s) started
T12 >> 1462270949.88898897 XC Correction (0.00961s) started
T12 << 1462270949.88900304 XC Correction (0.00962s) stopped
T12 << 1462270952.30874801 Atomic (703.11233s) stopped
T12 >> 1462270952.30885410 Communicate (2535.07420s) started
T12 << 1462270964.57802391 Communicate (2547.34337s) stopped
T12 << 1462270964.57806492 Hamiltonian (13644.53619s) stopped
T12 >> 1462270964.57809091 LCAO eigensolver (19910.61181s) started
T12 >> 1462270964.57810497 Potential matrix (301.58279s) started
T12 << 1462270965.53021693 Potential matrix (302.53490s) stopped
T12 >> 1462270965.53029895 DistributedAtomicCorrection (119.41066s) started
T12 << 1462270965.92184997 DistributedAtomicCorrection (119.80221s) stopped
T12 >> 1462270965.92189789 Distribute overlap matrix (2175.82171s) started
T12 >> 1462270965.92192888 blocked summation (1227.25628s) started
T12 << 1462270969.88686991 blocked summation (1231.22122s) stopped
T12 >> 1462270969.89584303 Scalapack redistribute (945.48651s) started
T12 << 1462270973.18981504 Scalapack redistribute (948.78048s) stopped
T12 << 1462270973.18989897 Distribute overlap matrix (2183.08971s) stopped
T12 >> 1462270973.19478512 Blacs Orbital Layouts (16768.54004s) started
T12 >> 1462270973.20312595 General diagonalize (16701.16021s) started
T12 << 1462271027.60282493 General diagonalize (16755.55991s) stopped
T12 >> 1462271027.60287094 Redistribute coefs (2.50103s) started
T12 << 1462271027.61036491 Redistribute coefs (2.50853s) stopped
T12 >> 1462271027.61043906 Send coefs to domains (62.08480s) started
T12 << 1462271027.92326903 Send coefs to domains (62.39763s) stopped
T12 << 1462271027.92350793 Blacs Orbital Layouts (16823.26876s) stopped
T12 >> 1462271027.92353606 Calculate projections (543.72183s) started
T12 << 1462271029.69154310 Calculate projections (545.48984s) stopped
T12 << 1462271029.69177890 LCAO eigensolver (19975.72549s) stopped
T12 >> 1462271032.81159902 Density (4826.61471s) started
T12 >> 1462271032.81161308 Pseudo density (3745.47136s) started
T12 >> 1462271032.81424308 Calculate density matrix (3520.36162s) started
T12 << 1462271044.70287800 Calculate density matrix (3532.25025s) stopped
T12 >> 1462271044.70292711 Construct density (219.16146s) started
T12 << 1462271045.44400311 Construct density (219.90253s) stopped
T12 >> 1462271045.45817089 Symmetrize density (0.02495s) started
T12 << 1462271045.45822906 Symmetrize density (0.02501s) stopped
T12 << 1462271045.46033192 Pseudo density (3758.12008s) stopped
T12 >> 1462271045.46039104 Atomic density matrices (950.06287s) started
T12 << 1462271048.84173989 Atomic density matrices (953.44421s) stopped
T12 >> 1462271048.84177208 Multipole moments (3.01096s) started
T12 << 1462271048.85433412 Multipole moments (3.02352s) stopped
T12 >> 1462271048.85436201 Normalize (2.01838s) started
T12 << 1462271048.86046410 Normalize (2.02448s) stopped
T12 >> 1462271048.86060596 Mix (126.02880s) started
T12 << 1462271049.27963305 Mix (126.44783s) stopped
T12 << 1462271049.27968788 Density (4843.08280s) stopped
T12 >> 1462271049.27971506 Hamiltonian (13644.53621s) started
T12 >> 1462271049.27973008 vbar (8.17215s) started
T12 << 1462271049.30237603 vbar (8.19480s) stopped
T12 >> 1462271049.30246592 XC 3D grid (8360.84863s) started
T12 >> 1462271049.83600903 van der Waals (8079.15602s) started
T12 >> 1462271049.94617200 semilocal (1701.92359s) started
T12 << 1462271055.70149899 semilocal (1707.67892s) stopped
T12 >> 1462271055.78672504 redistribute (866.72897s) started
T12 << 1462271056.80912304 redistribute (867.75137s) stopped
T12 >> 1462271056.80916405 libvdwxc nonlocal (5454.13214s) started
T12 << 1462271075.16341090 libvdwxc nonlocal (5472.48639s) stopped
T12 >> 1462271075.16347408 redistribute (867.75140s) started
T12 << 1462271076.86180210 redistribute (869.44972s) stopped
T12 << 1462271076.86318302 van der Waals (8106.18319s) stopped
T12 << 1462271077.32892799 XC 3D grid (8388.87510s) stopped
T12 >> 1462271077.32896805 Poisson (1916.32864s) started
T12 << 1462271081.64679599 Poisson (1920.64646s) stopped
T12 >> 1462271081.64686799 Hartree integrate/restrict (108.59740s) started
T12 << 1462271081.69051003 Hartree integrate/restrict (108.64104s) stopped
T12 >> 1462271081.69056296 Hartree integrate/restrict (108.64107s) started
T12 << 1462271082.00943089 Hartree integrate/restrict (108.95994s) stopped
T12 >> 1462271082.00955200 Atomic (703.11235s) started
T12 >> 1462271082.01125002 XC Correction (0.00963s) started
T12 << 1462271082.01128411 XC Correction (0.00967s) stopped
T12 << 1462271084.41674590 Atomic (705.51955s) stopped
T12 >> 1462271084.41683412 Communicate (2547.34340s) started
T12 << 1462271096.74655700 Communicate (2559.67312s) stopped
T12 << 1462271096.74658799 Hamiltonian (13692.00308s) stopped
T12 >> 1462271096.74661112 LCAO eigensolver (19975.72551s) started
T12 >> 1462271096.74662399 Potential matrix (302.53495s) started
T12 << 1462271097.70814610 Potential matrix (303.49647s) stopped
T12 >> 1462271097.70823312 DistributedAtomicCorrection (119.80225s) started
T12 << 1462271098.09243608 DistributedAtomicCorrection (120.18646s) stopped
T12 >> 1462271098.09248209 Distribute overlap matrix (2183.08972s) started
T12 >> 1462271098.09250998 blocked summation (1231.22127s) started
T12 << 1462271102.08693910 blocked summation (1235.21570s) stopped
T12 >> 1462271102.09616709 Scalapack redistribute (948.78052s) started
T12 << 1462271105.34937096 Scalapack redistribute (952.03373s) stopped
T12 << 1462271105.34944105 Distribute overlap matrix (2190.34668s) stopped
T12 >> 1462271105.35392809 Blacs Orbital Layouts (16823.26878s) started
T12 >> 1462271105.36217904 General diagonalize (16755.55995s) started
T12 << 1462271158.72743392 General diagonalize (16808.92520s) stopped
T12 >> 1462271158.72748709 Redistribute coefs (2.50859s) started
T12 << 1462271158.73506093 Redistribute coefs (2.51616s) stopped
T12 >> 1462271158.73514390 Send coefs to domains (62.39766s) started
T12 << 1462271158.97514701 Send coefs to domains (62.63767s) stopped
T12 << 1462271158.97551394 Blacs Orbital Layouts (16876.89037s) stopped
T12 >> 1462271158.97554708 Calculate projections (545.48988s) started
T12 << 1462271160.75525594 Calculate projections (547.26959s) stopped
T12 << 1462271160.75554395 LCAO eigensolver (20039.73445s) stopped
T12 >> 1462271163.85439491 Density (4843.08281s) started
T12 >> 1462271163.85441089 Pseudo density (3758.12013s) started
T12 >> 1462271163.85734892 Calculate density matrix (3532.25029s) started
T12 << 1462271175.80083704 Calculate density matrix (3544.19378s) stopped
T12 >> 1462271175.80089307 Construct density (219.90258s) started
T12 << 1462271176.54370809 Construct density (220.64540s) stopped
T12 >> 1462271176.56028509 Symmetrize density (0.02503s) started
T12 << 1462271176.56034994 Symmetrize density (0.02509s) stopped
T12 << 1462271176.56282902 Pseudo density (3770.82854s) stopped
T12 >> 1462271176.56290007 Atomic density matrices (953.44424s) started
T12 << 1462271179.94562697 Atomic density matrices (956.82697s) stopped
T12 >> 1462271179.94566298 Multipole moments (3.02354s) started
T12 << 1462271179.95817304 Multipole moments (3.03605s) stopped
T12 >> 1462271179.95820498 Normalize (2.02459s) started
T12 << 1462271179.96503592 Normalize (2.03143s) stopped
T12 >> 1462271179.96508098 Mix (126.44788s) started
T12 << 1462271180.45094895 Mix (126.93375s) stopped
T12 << 1462271180.45098400 Density (4859.67940s) stopped
T12 >> 1462271180.45100999 Hamiltonian (13692.00309s) started
T12 >> 1462271180.45102501 vbar (8.19485s) started
T12 << 1462271180.47617793 vbar (8.22001s) stopped
T12 >> 1462271180.47625589 XC 3D grid (8388.87513s) started
T12 >> 1462271180.98803091 van der Waals (8106.18322s) started
T12 >> 1462271181.10190701 semilocal (1707.67902s) started
T12 << 1462271186.81158900 semilocal (1713.38870s) stopped
T12 >> 1462271186.88598800 redistribute (869.44978s) started
T12 << 1462271187.95791101 redistribute (870.52170s) stopped
T12 >> 1462271187.95798492 libvdwxc nonlocal (5472.48644s) started
T12 << 1462271206.06755900 libvdwxc nonlocal (5490.59601s) stopped
T12 >> 1462271206.06764197 redistribute (870.52176s) started
T12 << 1462271208.02928901 redistribute (872.48341s) stopped
T12 << 1462271208.03041005 van der Waals (8133.22560s) stopped
T12 << 1462271208.48932505 XC 3D grid (8416.88820s) stopped
T12 >> 1462271208.48937106 Poisson (1920.64652s) started
T12 << 1462271212.82618594 Poisson (1924.98333s) stopped
T12 >> 1462271212.82626700 Hartree integrate/restrict (108.95997s) started
T12 << 1462271212.86984611 Hartree integrate/restrict (109.00355s) stopped
T12 >> 1462271212.86988592 Hartree integrate/restrict (109.00357s) started
T12 << 1462271213.19348693 Hartree integrate/restrict (109.32717s) stopped
T12 >> 1462271213.19365001 Atomic (705.51957s) started
T12 >> 1462271213.19526792 XC Correction (0.00968s) started
T12 << 1462271213.19528508 XC Correction (0.00970s) stopped
T12 << 1462271215.60668111 Atomic (707.93260s) stopped
T12 >> 1462271215.60676789 Communicate (2559.67314s) started
T12 << 1462271227.87502193 Communicate (2571.94140s) stopped
T12 << 1462271227.87505388 Hamiltonian (13739.42714s) stopped
T12 >> 1462271227.87507796 LCAO eigensolver (20039.73447s) started
T12 >> 1462271227.87509108 Potential matrix (303.49652s) started
T12 << 1462271228.82812095 Potential matrix (304.44955s) stopped
T12 >> 1462271228.82820797 DistributedAtomicCorrection (120.18650s) started
T12 << 1462271229.22121191 DistributedAtomicCorrection (120.57950s) stopped
T12 >> 1462271229.22125912 Distribute overlap matrix (2190.34669s) started
T12 >> 1462271229.22128701 blocked summation (1235.21574s) started
T12 << 1462271233.17368388 blocked summation (1239.16813s) stopped
T12 >> 1462271233.18365002 Scalapack redistribute (952.03376s) started
T12 << 1462271236.44772506 Scalapack redistribute (955.29784s) stopped
T12 << 1462271236.44780898 Distribute overlap matrix (2197.57324s) stopped
T12 >> 1462271236.45287704 Blacs Orbital Layouts (16876.89039s) started
T12 >> 1462271236.46092105 General diagonalize (16808.92524s) started
T12 << 1462271290.90851903 General diagonalize (16863.37284s) stopped
T12 >> 1462271290.90856409 Redistribute coefs (2.51623s) started
T12 << 1462271290.91607690 Redistribute coefs (2.52374s) stopped
T12 >> 1462271290.91614699 Send coefs to domains (62.63771s) started
T12 << 1462271291.14631200 Send coefs to domains (62.86787s) stopped
T12 << 1462271291.14649606 Blacs Orbital Layouts (16931.58401s) stopped
T12 >> 1462271291.14652395 Calculate projections (547.26969s) started
T12 << 1462271292.91555095 Calculate projections (549.03872s) stopped
T12 << 1462271292.91591001 LCAO eigensolver (20104.77530s) stopped
T12 >> 1462271296.04322410 Density (4859.67941s) started
T12 >> 1462271296.04323912 Pseudo density (3770.82860s) started
T12 >> 1462271296.04575205 Calculate density matrix (3544.19381s) started
T12 << 1462271307.97432709 Calculate density matrix (3556.12239s) stopped
T12 >> 1462271307.97437501 Construct density (220.64546s) started
T12 << 1462271308.71661711 Construct density (221.38770s) stopped
T12 >> 1462271308.73080897 Symmetrize density (0.02511s) started
T12 << 1462271308.73086810 Symmetrize density (0.02517s) stopped
T12 << 1462271308.73297095 Pseudo density (3783.51833s) stopped
T12 >> 1462271308.73302794 Atomic density matrices (956.82700s) started
T12 << 1462271312.09749293 Atomic density matrices (960.19146s) stopped
T12 >> 1462271312.09752607 Multipole moments (3.03607s) started
T12 << 1462271312.11002994 Multipole moments (3.04857s) stopped
T12 >> 1462271312.11005902 Normalize (2.03146s) started
T12 << 1462271312.11612296 Normalize (2.03752s) stopped
T12 >> 1462271312.11624002 Mix (126.93379s) started
T12 << 1462271312.58738399 Mix (127.40493s) stopped
T12 << 1462271312.58743691 Density (4876.22362s) stopped
T12 >> 1462271312.58746290 Hamiltonian (13739.42715s) started
T12 >> 1462271312.58747697 vbar (8.22005s) started
T12 << 1462271312.61921310 vbar (8.25178s) stopped
T12 >> 1462271312.61938596 XC 3D grid (8416.88823s) started
T12 >> 1462271313.09486508 van der Waals (8133.22563s) started
T12 >> 1462271313.20469809 semilocal (1713.38878s) started
T12 << 1462271318.85472608 semilocal (1719.03881s) stopped
T12 >> 1462271318.95005202 redistribute (872.48347s) started
T12 << 1462271320.10662889 redistribute (873.64005s) stopped
T12 >> 1462271320.10669708 libvdwxc nonlocal (5490.59608s) started
T12 << 1462271338.56246209 libvdwxc nonlocal (5509.05184s) stopped
T12 >> 1462271338.56252694 redistribute (873.64010s) started
T12 << 1462271340.37040496 redistribute (875.44798s) stopped
T12 << 1462271340.37141109 van der Waals (8160.50218s) stopped
T12 << 1462271340.82964301 XC 3D grid (8445.09849s) stopped
T12 >> 1462271340.82969999 Poisson (1924.98339s) started
T12 << 1462271345.25102806 Poisson (1929.40472s) stopped
T12 >> 1462271345.25114703 Hartree integrate/restrict (109.32723s) started
T12 << 1462271345.29433489 Hartree integrate/restrict (109.37042s) stopped
T12 >> 1462271345.29443598 Hartree integrate/restrict (109.37049s) started
T12 << 1462271345.64001107 Hartree integrate/restrict (109.71606s) stopped
T12 >> 1462271345.64014602 Atomic (707.93262s) started
T12 >> 1462271345.64175510 XC Correction (0.00971s) started
T12 << 1462271345.64177203 XC Correction (0.00973s) stopped
T12 << 1462271348.04018307 Atomic (710.33265s) stopped
T12 >> 1462271348.04026794 Communicate (2571.94142s) started
T12 << 1462271360.32127500 Communicate (2584.22242s) stopped
T12 << 1462271360.32130790 Hamiltonian (13787.16099s) stopped
T12 >> 1462271360.32133198 LCAO eigensolver (20104.77532s) started
T12 >> 1462271360.32134509 Potential matrix (304.44960s) started
T12 << 1462271361.26937389 Potential matrix (305.39763s) stopped
T12 >> 1462271361.26944399 DistributedAtomicCorrection (120.57954s) started
T12 << 1462271361.66453409 DistributedAtomicCorrection (120.97463s) stopped
T12 >> 1462271361.66458106 Distribute overlap matrix (2197.57326s) started
T12 >> 1462271361.66461110 blocked summation (1239.16819s) started
T12 << 1462271365.65243602 blocked summation (1243.15601s) stopped
T12 >> 1462271365.66295600 Scalapack redistribute (955.29788s) started
T12 << 1462271368.95219588 Scalapack redistribute (958.58712s) stopped
T12 << 1462271368.95230603 Distribute overlap matrix (2204.86098s) stopped
T12 >> 1462271368.95696092 Blacs Orbital Layouts (16931.58403s) started
T12 >> 1462271368.96503806 General diagonalize (16863.37288s) started
T12 << 1462271423.10329008 General diagonalize (16917.51113s) stopped
T12 >> 1462271423.10333395 Redistribute coefs (2.52380s) started
T12 << 1462271423.11059809 Redistribute coefs (2.53106s) stopped
T12 >> 1462271423.11067605 Send coefs to domains (62.86791s) started
T12 << 1462271423.24495101 Send coefs to domains (63.00218s) stopped
T12 << 1462271423.24517703 Blacs Orbital Layouts (16985.87224s) stopped
T12 >> 1462271423.24520397 Calculate projections (549.03877s) started
T12 << 1462271425.01296592 Calculate projections (550.80653s) stopped
T12 << 1462271425.01332211 LCAO eigensolver (20169.46731s) stopped
T12 >> 1462271428.14094996 Density (4876.22364s) started
T12 >> 1462271428.14096498 Pseudo density (3783.51838s) started
T12 >> 1462271428.14335895 Calculate density matrix (3556.12242s) started
T12 << 1462271440.09809709 Calculate density matrix (3568.07716s) stopped
T12 >> 1462271440.09814310 Construct density (221.38775s) started
T12 << 1462271440.83908296 Construct density (222.12869s) stopped
T12 >> 1462271440.85309100 Symmetrize density (0.02519s) started
T12 << 1462271440.85315490 Symmetrize density (0.02525s) stopped
T12 << 1462271440.85524511 Pseudo density (3796.23266s) stopped
T12 >> 1462271440.85530305 Atomic density matrices (960.19149s) started
T12 << 1462271444.22199988 Atomic density matrices (963.55818s) stopped
T12 >> 1462271444.22203207 Multipole moments (3.04859s) started
T12 << 1462271444.23403096 Multipole moments (3.06059s) stopped
T12 >> 1462271444.23406005 Normalize (2.03762s) started
T12 << 1462271444.24009395 Normalize (2.04365s) stopped
T12 >> 1462271444.24019790 Mix (127.40498s) started
T12 << 1462271444.70948792 Mix (127.87427s) stopped
T12 << 1462271444.70952797 Density (4892.79222s) stopped
T12 >> 1462271444.70955205 Hamiltonian (13787.16101s) started
T12 >> 1462271444.70956612 vbar (8.25188s) started
T12 << 1462271444.73919106 vbar (8.28151s) stopped
T12 >> 1462271444.73938203 XC 3D grid (8445.09854s) started
T12 >> 1462271445.21496606 van der Waals (8160.50221s) started
T12 >> 1462271445.32402897 semilocal (1719.03895s) started
T12 << 1462271451.06589508 semilocal (1724.78082s) stopped
T12 >> 1462271451.14977694 redistribute (875.44804s) started
T12 << 1462271452.20558691 redistribute (876.50385s) stopped
T12 >> 1462271452.20565009 libvdwxc nonlocal (5509.05189s) started
T12 << 1462271470.44793797 libvdwxc nonlocal (5527.29418s) stopped
T12 >> 1462271470.44799995 redistribute (876.50390s) started
T12 << 1462271472.19419408 redistribute (878.25009s) stopped
T12 << 1462271472.19523597 van der Waals (8187.48248s) stopped
T12 << 1462271472.65732598 XC 3D grid (8473.01648s) stopped
T12 >> 1462271472.65736794 Poisson (1929.40482s) started
T12 << 1462271476.96556711 Poisson (1933.71301s) stopped
T12 >> 1462271476.96564102 Hartree integrate/restrict (109.71610s) started
T12 << 1462271477.00745797 Hartree integrate/restrict (109.75791s) stopped
T12 >> 1462271477.00751591 Hartree integrate/restrict (109.75795s) started
T12 << 1462271477.34197402 Hartree integrate/restrict (110.09241s) stopped
T12 >> 1462271477.34211612 Atomic (710.33268s) started
T12 >> 1462271477.34372807 XC Correction (0.00974s) started
T12 << 1462271477.34374189 XC Correction (0.00975s) stopped
T12 << 1462271479.76236796 Atomic (712.75293s) stopped
T12 >> 1462271479.76245403 Communicate (2584.22244s) started
T12 << 1462271492.04715991 Communicate (2596.50715s) stopped
T12 << 1462271492.04719210 Hamiltonian (13834.49865s) stopped
T12 >> 1462271492.04721498 LCAO eigensolver (20169.46733s) started
T12 >> 1462271492.04722810 Potential matrix (305.39767s) started
T12 << 1462271492.99788189 Potential matrix (306.34833s) stopped
T12 >> 1462271492.99797010 DistributedAtomicCorrection (120.97467s) started
T12 << 1462271493.38698697 DistributedAtomicCorrection (121.36368s) stopped
T12 >> 1462271493.38703394 Distribute overlap matrix (2204.86099s) started
T12 >> 1462271493.38706112 blocked summation (1243.15606s) started
T12 << 1462271497.36407900 blocked summation (1247.13308s) stopped
T12 >> 1462271497.37423110 Scalapack redistribute (958.58718s) started
T12 << 1462271500.65069389 Scalapack redistribute (961.86365s) stopped
T12 << 1462271500.65078807 Distribute overlap matrix (2212.12475s) stopped
T12 >> 1462271500.65500903 Blacs Orbital Layouts (16985.87226s) started
T12 >> 1462271500.66324496 General diagonalize (16917.51117s) started
T12 << 1462271554.64533496 General diagonalize (16971.49326s) stopped
T12 >> 1462271554.64538097 Redistribute coefs (2.53112s) started
T12 << 1462271554.65280104 Redistribute coefs (2.53854s) stopped
T12 >> 1462271554.65287995 Send coefs to domains (63.00221s) started
T12 << 1462271554.74841499 Send coefs to domains (63.09775s) stopped
T12 << 1462271554.74861789 Blacs Orbital Layouts (17039.96587s) stopped
T12 >> 1462271554.74864602 Calculate projections (550.80658s) started
T12 << 1462271556.51717997 Calculate projections (552.57511s) stopped
T12 << 1462271556.51752591 LCAO eigensolver (20233.93764s) stopped
T12 << 1462271559.63300490 SCF-cycle (39977.85449s) stopped
T12 >> 1462271561.77547193 Force calculation (1495.61955s) started
T12 >> 1462271561.77554202 LCAO forces (1479.10491s) started
T12 >> 1462271561.77589989 Initial (0.00045s) started
T12 << 1462271561.77591109 Initial (0.00046s) stopped
T12 >> 1462271561.78222394 Get density matrix (781.75553s) started
T12 << 1462271570.93599510 Get density matrix (790.90930s) stopped
T12 >> 1462271570.93603897 Potential (118.61714s) started
T12 << 1462271576.87315202 Potential (124.55426s) stopped
T12 >> 1462271576.87320709 Get density matrix (790.90933s) started
T12 << 1462271607.79004312 Get density matrix (821.82617s) stopped
T12 >> 1462271607.79010105 Prepare TCI loop (41.30492s) started
T12 >> 1462271607.79058504 Get neighbors (37.65662s) started
T12 << 1462271609.62997508 Get neighbors (39.49601s) stopped
T12 >> 1462271609.63088298 broadcast dH (3.62680s) started
T12 << 1462271609.89214706 broadcast dH (3.88807s) stopped
T12 << 1462271609.89218807 Prepare TCI loop (43.40701s) stopped
T12 >> 1462271609.89220691 Not so complicated loop (2.31220s) started
T12 << 1462271610.00674391 Not so complicated loop (2.42673s) stopped
T12 >> 1462271610.11989307 Complicated loop (349.13707s) started
T12 << 1462271628.33266211 Complicated loop (367.34984s) stopped
T12 >> 1462271628.33363390 Wait for sum (183.56633s) started
T12 << 1462271637.90696502 Wait for sum (193.13966s) stopped
T12 << 1462271637.90700102 LCAO forces (1555.23637s) stopped
T12 << 1462271638.71237993 Force calculation (1572.55645s) stopped
T12 >> 1462271638.73020506 Initialization (2457.07008s) started
T12 << 1462271638.73037004 Initialization (2457.07024s) stopped
T12 >> 1462271638.73064590 Initialization (2457.07026s) started
T12 << 1462271638.73077798 Initialization (2457.07039s) stopped
T12 >> 1462271638.73091602 Initialization (2457.07040s) started
T12 << 1462271638.73104310 Initialization (2457.07053s) stopped
T12 >> 1462271659.04063392 Initialization (2457.07055s) started
T12 >> 1462271659.12262797 Basic WFS set positions (1.74349s) started
T12 >> 1462271659.12265205 Redistribute (0.00973s) started
T12 << 1462271659.12278104 Redistribute (0.00986s) stopped
T12 << 1462271659.20978808 Basic WFS set positions (1.83065s) stopped
T12 >> 1462271659.20981503 Basis functions set positions (35.57291s) started
T12 << 1462271661.02200294 Basis functions set positions (37.38509s) stopped
T12 >> 1462271661.02244496 TCI: Calculate S, T, P (301.72482s) started
T12 << 1462271675.97995710 TCI: Calculate S, T, P (316.68233s) stopped
T12 >> 1462271675.98001194 blocked summation (400.66367s) started
T12 << 1462271698.16945791 blocked summation (422.85311s) stopped
T12 >> 1462271698.17897296 Scalapack redistribute (149.64101s) started
T12 << 1462271707.97627497 Scalapack redistribute (159.43831s) stopped
T12 >> 1462271707.97749591 blocked summation (422.85315s) started
T12 << 1462271709.09910893 blocked summation (423.97476s) stopped
T12 >> 1462271709.10879803 Scalapack redistribute (159.43838s) started
T12 << 1462271709.33248210 Scalapack redistribute (159.66206s) stopped
T12 >> 1462271709.33434606 Redistribute (0.07703s) started
T12 << 1462271709.33488989 Redistribute (0.07757s) stopped
T12 >> 1462271710.96390104 Redistribute (0.07759s) started
T12 << 1462271710.96434093 Redistribute (0.07803s) stopped
T12 >> 1462271710.97942996 LCAO WFS Initialize (1525.13123s) started
T12 >> 1462271710.97949100 Density initialize from wavefunctions (283.94753s) started
T12 >> 1462271710.98448610 Calculate density matrix (197.96801s) started
T12 << 1462271720.79099393 Calculate density matrix (207.77452s) stopped
T12 >> 1462271720.79104090 Construct density (14.82854s) started
T12 << 1462271721.53122902 Construct density (15.56873s) stopped
T12 >> 1462271721.54567099 Symmetrize density (0.00159s) started
T12 << 1462271721.54572701 Symmetrize density (0.00165s) stopped
T12 << 1462271725.23325109 Density initialize from wavefunctions (298.20129s) stopped
T12 >> 1462271725.23346710 Hamiltonian (1240.26442s) started
T12 >> 1462271725.23348403 vbar (0.59277s) started
T12 << 1462271725.26720595 vbar (0.62649s) stopped
T12 >> 1462271725.26731300 XC 3D grid (603.34692s) started
T12 >> 1462271725.73228788 van der Waals (583.23573s) started
T12 >> 1462271725.84425306 semilocal (121.77078s) started
T12 << 1462271731.59117699 semilocal (127.51770s) stopped
T12 >> 1462271731.67628694 redistribute (69.29822s) started
T12 << 1462271732.70125699 redistribute (70.32319s) stopped
T12 >> 1462271732.70132709 libvdwxc nonlocal (388.13946s) started
T12 << 1462271750.85371304 libvdwxc nonlocal (406.29184s) stopped
T12 >> 1462271750.85378003 redistribute (70.32324s) started
T12 << 1462271752.57592607 redistribute (72.04539s) stopped
T12 << 1462271752.57695508 van der Waals (610.08040s) stopped
T12 << 1462271753.04071093 XC 3D grid (631.12032s) stopped
T12 >> 1462271753.04075789 Poisson (346.04091s) started
T12 << 1462271767.37914705 Poisson (360.37930s) stopped
T12 >> 1462271767.37928391 Hartree integrate/restrict (7.75692s) started
T12 << 1462271767.42208195 Hartree integrate/restrict (7.79972s) stopped
T12 >> 1462271767.42216611 Hartree integrate/restrict (7.79978s) started
T12 << 1462271767.74033689 Hartree integrate/restrict (8.11795s) stopped
T12 >> 1462271767.74049211 Atomic (49.40368s) started
T12 >> 1462271767.74258804 XC Correction (0.00083s) started
T12 << 1462271767.74262094 XC Correction (0.00086s) stopped
T12 << 1462271770.11880112 Atomic (51.78198s) stopped
T12 >> 1462271770.11897206 Communicate (233.08818s) started
T12 << 1462271785.14401603 Communicate (248.11322s) stopped
T12 << 1462271785.14404202 Hamiltonian (1300.17500s) stopped
T12 << 1462271785.14405608 LCAO WFS Initialize (1599.29586s) stopped
T12 << 1462271785.15592694 Initialization (2583.18584s) stopped
T12 >> 1462271785.18164802 SCF-cycle (39977.85451s) started
T12 >> 1462271785.18168306 LCAO eigensolver (20233.93766s) started
T12 >> 1462271785.18169498 Potential matrix (306.34838s) started
T12 << 1462271786.13112593 Potential matrix (307.29781s) stopped
T12 >> 1462271786.13121104 DistributedAtomicCorrection (121.36372s) started
T12 << 1462271786.52150297 DistributedAtomicCorrection (121.75402s) stopped
T12 >> 1462271786.52154994 Distribute overlap matrix (2212.12476s) started
T12 >> 1462271786.52158093 blocked summation (1247.13311s) started
T12 << 1462271790.71161795 blocked summation (1251.32315s) stopped
T12 >> 1462271790.72070408 Scalapack redistribute (961.86370s) started
T12 << 1462271794.12055302 Scalapack redistribute (965.26355s) stopped
T12 << 1462271794.12065005 Distribute overlap matrix (2219.72386s) stopped
T12 >> 1462271794.12455201 Blacs Orbital Layouts (17039.96589s) started
T12 >> 1462271794.13340712 General diagonalize (16971.49330s) started
T12 << 1462271849.14744401 General diagonalize (17026.50733s) stopped
T12 >> 1462271849.14749002 Redistribute coefs (2.53861s) started
T12 << 1462271849.15561509 Redistribute coefs (2.54673s) stopped
T12 >> 1462271849.15570092 Send coefs to domains (63.09778s) started
T12 << 1462271849.47621202 Send coefs to domains (63.41829s) stopped
T12 << 1462271849.47654200 Blacs Orbital Layouts (17095.31788s) stopped
T12 >> 1462271849.47656989 Calculate projections (552.57516s) started
T12 << 1462271851.23996711 Calculate projections (554.33855s) stopped
T12 << 1462271851.24015808 LCAO eigensolver (20299.99613s) stopped
T12 >> 1462271854.37333608 Density (4892.79223s) started
T12 >> 1462271854.37335110 Pseudo density (3796.23270s) started
T12 >> 1462271854.37579489 Calculate density matrix (3568.07719s) started
T12 << 1462271866.28748894 Calculate density matrix (3579.98888s) stopped
T12 >> 1462271866.28753591 Construct density (222.12874s) started
T12 << 1462271867.02950692 Construct density (222.87071s) stopped
T12 >> 1462271867.04358912 Symmetrize density (0.02527s) started
T12 << 1462271867.04365206 Symmetrize density (0.02533s) stopped
T12 << 1462271867.04564905 Pseudo density (3808.90500s) stopped
T12 >> 1462271867.04570889 Atomic density matrices (963.55821s) started
T12 << 1462271870.46317506 Atomic density matrices (966.97567s) stopped
T12 >> 1462271870.46320701 Multipole moments (3.06060s) started
T12 << 1462271870.47617602 Multipole moments (3.07357s) stopped
T12 >> 1462271870.47620010 Normalize (2.04373s) started
T12 << 1462271870.48232794 Normalize (2.04986s) stopped
T12 >> 1462271870.48241806 Mix (127.87431s) started
T12 << 1462271870.82395601 Mix (128.21585s) stopped
T12 << 1462271870.82399893 Density (4909.24289s) stopped
T12 >> 1462271870.82402301 Hamiltonian (13834.49866s) started
T12 >> 1462271870.82403708 vbar (8.28161s) started
T12 << 1462271870.84823608 vbar (8.30581s) stopped
T12 >> 1462271870.84837604 XC 3D grid (8473.01652s) started
T12 >> 1462271871.36915994 van der Waals (8187.48250s) started
T12 >> 1462271871.47722793 semilocal (1724.78092s) started
T12 << 1462271877.22793794 semilocal (1730.53163s) stopped
T12 >> 1462271877.30270004 redistribute (878.25015s) started
T12 << 1462271878.31863499 redistribute (879.26608s) stopped
T12 >> 1462271878.31870103 libvdwxc nonlocal (5527.29423s) started
T12 << 1462271896.59932995 libvdwxc nonlocal (5545.57485s) stopped
T12 >> 1462271896.59939289 redistribute (879.26614s) started
T12 << 1462271898.36813092 redistribute (881.03487s) stopped
T12 << 1462271898.36947203 van der Waals (8214.48281s) stopped
T12 << 1462271898.83130193 XC 3D grid (8500.99944s) stopped
T12 >> 1462271898.83134294 Poisson (1933.71307s) started
T12 << 1462271904.61013508 Poisson (1939.49186s) stopped
T12 >> 1462271904.61025596 Hartree integrate/restrict (110.09246s) started
T12 << 1462271904.65375590 Hartree integrate/restrict (110.13596s) stopped
T12 >> 1462271904.65383697 Hartree integrate/restrict (110.13601s) started
T12 << 1462271904.97885799 Hartree integrate/restrict (110.46103s) stopped
T12 >> 1462271904.97899604 Atomic (712.75295s) started
T12 >> 1462271904.98082495 XC Correction (0.00976s) started
T12 << 1462271904.98084092 XC Correction (0.00978s) stopped
T12 << 1462271907.39360905 Atomic (715.16756s) stopped
T12 >> 1462271907.39378405 Communicate (2596.50717s) started
T12 << 1462271922.36322689 Communicate (2611.47661s) stopped
T12 << 1462271922.36325693 Hamiltonian (13886.03789s) stopped
T12 >> 1462271922.36328101 LCAO eigensolver (20299.99615s) started
T12 >> 1462271922.36329293 Potential matrix (307.29786s) started
T12 << 1462271923.32052207 Potential matrix (308.25509s) stopped
T12 >> 1462271923.32060504 DistributedAtomicCorrection (121.75405s) started
T12 << 1462271923.71320105 DistributedAtomicCorrection (122.14665s) stopped
T12 >> 1462271923.71324897 Distribute overlap matrix (2219.72388s) started
T12 >> 1462271923.71328092 blocked summation (1251.32318s) started
T12 << 1462271927.96431398 blocked summation (1255.57421s) stopped
T12 >> 1462271927.97425795 Scalapack redistribute (965.26361s) started
T12 << 1462271931.25736403 Scalapack redistribute (968.54671s) stopped
T12 << 1462271931.25745010 Distribute overlap matrix (2227.26808s) stopped
T12 >> 1462271931.26200891 Blacs Orbital Layouts (17095.31790s) started
T12 >> 1462271931.27054501 General diagonalize (17026.50737s) started
T12 << 1462271985.17276692 General diagonalize (17080.40959s) stopped
T12 >> 1462271985.17283797 Redistribute coefs (2.54680s) started
T12 << 1462271985.18047404 Redistribute coefs (2.55444s) stopped
T12 >> 1462271985.18054605 Send coefs to domains (63.41833s) started
T12 << 1462271985.28349304 Send coefs to domains (63.52127s) stopped
T12 << 1462271985.28384089 Blacs Orbital Layouts (17149.33973s) stopped
T12 >> 1462271985.28386903 Calculate projections (554.33860s) started
T12 << 1462271987.04863191 Calculate projections (556.10336s) stopped
T12 << 1462271987.04900599 LCAO eigensolver (20364.68187s) stopped
T12 >> 1462271990.18082190 Density (4909.24290s) started
T12 >> 1462271990.18083596 Pseudo density (3808.90505s) started
T12 >> 1462271990.18321896 Calculate density matrix (3579.98892s) started
T12 << 1462272002.10367298 Calculate density matrix (3591.90937s) stopped
T12 >> 1462272002.10372090 Construct density (222.87076s) started
T12 << 1462272002.84592700 Construct density (223.61297s) stopped
T12 >> 1462272002.85972595 Symmetrize density (0.02535s) started
T12 << 1462272002.85978508 Symmetrize density (0.02540s) stopped
T12 << 1462272002.86178398 Pseudo density (3821.58600s) stopped
T12 >> 1462272002.86184406 Atomic density matrices (966.97570s) started
T12 << 1462272006.22096610 Atomic density matrices (970.33482s) stopped
T12 >> 1462272006.22099900 Multipole moments (3.07359s) started
T12 << 1462272006.23369408 Multipole moments (3.08628s) stopped
T12 >> 1462272006.23371696 Normalize (2.04994s) started
T12 << 1462272006.23979306 Normalize (2.05601s) stopped
T12 >> 1462272006.23987293 Mix (128.21589s) started
T12 << 1462272006.57672191 Mix (128.55274s) stopped
T12 << 1462272006.57677698 Density (4925.63886s) stopped
T12 >> 1462272006.57680988 Hamiltonian (13886.03790s) started
T12 >> 1462272006.57682490 vbar (8.30590s) started
T12 << 1462272006.59580112 vbar (8.32487s) stopped
T12 >> 1462272006.59586191 XC 3D grid (8500.99947s) started
T12 >> 1462272007.16166592 van der Waals (8214.48285s) started
T12 >> 1462272007.27353311 semilocal (1730.53176s) started
T12 << 1462272013.14075708 semilocal (1736.39898s) stopped
T12 >> 1462272013.21900892 redistribute (881.03493s) started
T12 << 1462272014.17195606 redistribute (881.98787s) stopped
T12 >> 1462272014.17199802 libvdwxc nonlocal (5545.57490s) started
T12 << 1462272032.91877198 libvdwxc nonlocal (5564.32168s) stopped
T12 >> 1462272032.91884708 redistribute (881.98791s) started
T12 << 1462272034.82305002 redistribute (883.89211s) stopped
T12 << 1462272034.82428694 van der Waals (8242.14547s) stopped
T12 << 1462272035.28828192 XC 3D grid (8529.69189s) stopped
T12 >> 1462272035.28834105 Poisson (1939.49195s) started
T12 << 1462272045.46852398 Poisson (1949.67214s) stopped
T12 >> 1462272045.46862102 Hartree integrate/restrict (110.46108s) started
T12 << 1462272045.51422811 Hartree integrate/restrict (110.50668s) stopped
T12 >> 1462272045.51430798 Hartree integrate/restrict (110.50674s) started
T12 << 1462272045.84112310 Hartree integrate/restrict (110.83355s) stopped
T12 >> 1462272045.84127498 Atomic (715.16758s) started
T12 >> 1462272045.84302306 XC Correction (0.00979s) started
T12 << 1462272045.84303808 XC Correction (0.00980s) stopped
T12 << 1462272048.26416802 Atomic (717.59048s) stopped
T12 >> 1462272048.26433206 Communicate (2611.47663s) started
T12 << 1462272063.32534504 Communicate (2626.53765s) stopped
T12 << 1462272063.32537889 Hamiltonian (13942.78647s) stopped
T12 >> 1462272063.32540298 LCAO eigensolver (20364.68189s) started
T12 >> 1462272063.32541609 Potential matrix (308.25514s) started
T12 << 1462272064.26941705 Potential matrix (309.19914s) stopped
T12 >> 1462272064.26949906 DistributedAtomicCorrection (122.14669s) started
T12 << 1462272064.67394495 DistributedAtomicCorrection (122.55114s) stopped
T12 >> 1462272064.67399001 Distribute overlap matrix (2227.26809s) started
T12 >> 1462272064.67402411 blocked summation (1255.57426s) started
T12 << 1462272068.78540802 blocked summation (1259.68564s) stopped
T12 >> 1462272068.79524493 Scalapack redistribute (968.54676s) started
T12 << 1462272072.18360496 Scalapack redistribute (971.93512s) stopped
T12 << 1462272072.18371391 Distribute overlap matrix (2234.77781s) stopped
T12 >> 1462272072.18839693 Blacs Orbital Layouts (17149.33975s) started
T12 >> 1462272072.19730592 General diagonalize (17080.40965s) started
T12 << 1462272125.93943000 General diagonalize (17134.15178s) stopped
T12 >> 1462272125.93947411 Redistribute coefs (2.55450s) started
T12 << 1462272125.94719696 Redistribute coefs (2.56222s) stopped
T12 >> 1462272125.94728494 Send coefs to domains (63.52130s) started
T12 << 1462272126.20245409 Send coefs to domains (63.77647s) stopped
T12 << 1462272126.20283699 Blacs Orbital Layouts (17203.35419s) stopped
T12 >> 1462272126.20286393 Calculate projections (556.10341s) started
T12 << 1462272127.96700811 Calculate projections (557.86755s) stopped
T12 << 1462272127.96736193 LCAO eigensolver (20429.32385s) stopped
T12 >> 1462272131.10173297 Density (4925.63888s) started
T12 >> 1462272131.10174799 Pseudo density (3821.58605s) started
T12 >> 1462272131.10402012 Calculate density matrix (3591.90940s) started
T12 << 1462272143.17698789 Calculate density matrix (3603.98237s) stopped
T12 >> 1462272143.17703605 Construct density (223.61302s) started
T12 << 1462272143.91908693 Construct density (224.35507s) stopped
T12 >> 1462272143.93373489 Symmetrize density (0.02542s) started
T12 << 1462272143.93380094 Symmetrize density (0.02549s) stopped
T12 << 1462272143.93581510 Pseudo density (3834.42011s) stopped
T12 >> 1462272143.93587494 Atomic density matrices (970.33485s) started
T12 << 1462272147.31061602 Atomic density matrices (973.70959s) stopped
T12 >> 1462272147.31064796 Multipole moments (3.08630s) started
T12 << 1462272147.32343197 Multipole moments (3.09908s) stopped
T12 >> 1462272147.32345605 Normalize (2.05608s) started
T12 << 1462272147.32956505 Normalize (2.06219s) stopped
T12 >> 1462272147.32969403 Mix (128.55280s) started
T12 << 1462272147.69982409 Mix (128.92293s) stopped
T12 << 1462272147.69987512 Density (4942.23702s) stopped
T12 >> 1462272147.69989991 Hamiltonian (13942.78649s) started
T12 >> 1462272147.69991493 vbar (8.32490s) started
T12 << 1462272147.72140789 vbar (8.34639s) stopped
T12 >> 1462272147.72147107 XC 3D grid (8529.69194s) started
T12 >> 1462272148.22217393 van der Waals (8242.14549s) started
T12 >> 1462272148.33187389 semilocal (1736.39904s) started
T12 << 1462272154.15112400 semilocal (1742.21829s) stopped
T12 >> 1462272154.22438002 redistribute (883.89214s) started
T12 << 1462272155.18149090 redistribute (884.84925s) stopped
T12 >> 1462272155.18156695 libvdwxc nonlocal (5564.32173s) started
T12 << 1462272173.38259697 libvdwxc nonlocal (5582.52276s) stopped
T12 >> 1462272173.38265991 redistribute (884.84931s) started
T12 << 1462272175.14125609 redistribute (886.60791s) stopped
T12 << 1462272175.14230990 van der Waals (8269.06563s) stopped
T12 << 1462272175.61172700 XC 3D grid (8557.58220s) stopped
T12 >> 1462272175.61179709 Poisson (1949.67221s) started
T12 << 1462272182.87146997 Poisson (1956.93188s) stopped
T12 >> 1462272182.87160110 Hartree integrate/restrict (110.83361s) started
T12 << 1462272182.91353703 Hartree integrate/restrict (110.87554s) stopped
T12 >> 1462272182.91361403 Hartree integrate/restrict (110.87560s) started
T12 << 1462272183.24203110 Hartree integrate/restrict (111.20401s) stopped
T12 >> 1462272183.24217606 Atomic (717.59050s) started
T12 >> 1462272183.24393892 XC Correction (0.00982s) started
T12 << 1462272183.24396491 XC Correction (0.00984s) stopped
T12 << 1462272185.65463495 Atomic (720.00296s) stopped
T12 >> 1462272185.65478897 Communicate (2626.53767s) started
T12 << 1462272199.73997903 Communicate (2640.62286s) stopped
T12 << 1462272199.74000907 Hamiltonian (13994.82659s) stopped
T12 >> 1462272199.74003196 LCAO eigensolver (20429.32387s) started
T12 >> 1462272199.74004507 Potential matrix (309.19919s) started
T12 << 1462272200.69035292 Potential matrix (310.14949s) stopped
T12 >> 1462272200.69043589 DistributedAtomicCorrection (122.55117s) started
T12 << 1462272201.08484292 DistributedAtomicCorrection (122.94558s) stopped
T12 >> 1462272201.08491707 Distribute overlap matrix (2234.77783s) started
T12 >> 1462272201.08494902 blocked summation (1259.68569s) started
T12 << 1462272205.22767401 blocked summation (1263.82842s) stopped
T12 >> 1462272205.23758292 Scalapack redistribute (971.93518s) started
T12 << 1462272208.59820199 Scalapack redistribute (975.29580s) stopped
T12 << 1462272208.59829402 Distribute overlap matrix (2242.29120s) stopped
T12 >> 1462272208.60261893 Blacs Orbital Layouts (17203.35421s) started
T12 >> 1462272208.61128497 General diagonalize (17134.15181s) started
T12 << 1462272259.92235804 General diagonalize (17185.46289s) stopped
T12 >> 1462272259.92240095 Redistribute coefs (2.56229s) started
T12 << 1462272259.92957401 Redistribute coefs (2.56946s) stopped
T12 >> 1462272259.92965603 Send coefs to domains (63.77651s) started
T12 << 1462272260.03082705 Send coefs to domains (63.87768s) stopped
T12 << 1462272260.03120708 Blacs Orbital Layouts (17254.78280s) stopped
T12 >> 1462272260.03123498 Calculate projections (557.86760s) started
T12 << 1462272261.79557896 Calculate projections (559.63194s) stopped
T12 << 1462272261.79576302 LCAO eigensolver (20491.37960s) stopped
T12 >> 1462272264.92142200 Density (4942.23703s) started
T12 >> 1462272264.92143607 Pseudo density (3834.42016s) started
T12 >> 1462272264.92381501 Calculate density matrix (3603.98240s) started
T12 << 1462272276.90135908 Calculate density matrix (3615.95995s) stopped
T12 >> 1462272276.90140605 Construct density (224.35512s) started
T12 << 1462272277.64159989 Construct density (225.09531s) stopped
T12 >> 1462272277.65560102 Symmetrize density (0.02550s) started
T12 << 1462272277.65565896 Symmetrize density (0.02556s) stopped
T12 << 1462272277.65765810 Pseudo density (3847.15638s) stopped
T12 >> 1462272277.65771699 Atomic density matrices (973.70961s) started
T12 << 1462272281.08838010 Atomic density matrices (977.14028s) stopped
T12 >> 1462272281.08841205 Multipole moments (3.09910s) started
T12 << 1462272281.10111594 Multipole moments (3.11180s) stopped
T12 >> 1462272281.10113907 Normalize (2.06230s) started
T12 << 1462272281.10729790 Normalize (2.06846s) stopped
T12 >> 1462272281.10737395 Mix (128.92298s) started
T12 << 1462272281.50910592 Mix (129.32471s) stopped
T12 << 1462272281.50916505 Density (4958.82478s) stopped
T12 >> 1462272281.50919199 Hamiltonian (13994.82661s) started
T12 >> 1462272281.50920701 vbar (8.34643s) started
T12 << 1462272281.53117609 vbar (8.36839s) stopped
T12 >> 1462272281.53126192 XC 3D grid (8557.58225s) started
T12 >> 1462272282.05611801 van der Waals (8269.06565s) started
T12 >> 1462272282.16580105 semilocal (1742.21837s) started
T12 << 1462272288.02243090 semilocal (1748.07500s) stopped
T12 >> 1462272288.09650612 redistribute (886.60795s) started
T12 << 1462272289.05322409 redistribute (887.56466s) stopped
T12 >> 1462272289.05328989 libvdwxc nonlocal (5582.52281s) started
T12 << 1462272307.38828993 libvdwxc nonlocal (5600.85781s) stopped
T12 >> 1462272307.38833189 redistribute (887.56471s) started
T12 << 1462272309.08154798 redistribute (889.25793s) stopped
T12 << 1462272309.08245206 van der Waals (8296.09199s) stopped
T12 << 1462272309.54077005 XC 3D grid (8585.59176s) stopped
T12 >> 1462272309.54081702 Poisson (1956.93199s) started
T12 << 1462272315.25487494 Poisson (1962.64604s) stopped
T12 >> 1462272315.25497794 Hartree integrate/restrict (111.20406s) started
T12 << 1462272315.29929709 Hartree integrate/restrict (111.24838s) stopped
T12 >> 1462272315.29934096 Hartree integrate/restrict (111.24841s) started
T12 << 1462272315.62778401 Hartree integrate/restrict (111.57685s) stopped
T12 >> 1462272315.62792897 Atomic (720.00298s) started
T12 >> 1462272315.62963295 XC Correction (0.00986s) started
T12 << 1462272315.62965202 XC Correction (0.00987s) stopped
T12 << 1462272318.04228401 Atomic (722.41733s) stopped
T12 >> 1462272318.04242802 Communicate (2640.62288s) started
T12 << 1462272331.27152896 Communicate (2653.85198s) stopped
T12 << 1462272331.27155995 Hamiltonian (14044.58897s) stopped
T12 >> 1462272331.27158189 LCAO eigensolver (20491.37962s) started
T12 >> 1462272331.27159500 Potential matrix (310.14954s) started
T12 << 1462272332.22682905 Potential matrix (311.10478s) stopped
T12 >> 1462272332.22691298 DistributedAtomicCorrection (122.94564s) started
T12 << 1462272332.61945891 DistributedAtomicCorrection (123.33819s) stopped
T12 >> 1462272332.61950588 Distribute overlap matrix (2242.29122s) started
T12 >> 1462272332.61953712 blocked summation (1263.82847s) started
T12 << 1462272336.72626305 blocked summation (1267.93519s) stopped
T12 >> 1462272336.73632503 Scalapack redistribute (975.29585s) started
T12 << 1462272340.10872102 Scalapack redistribute (978.66825s) stopped
T12 << 1462272340.10883403 Distribute overlap matrix (2249.78054s) stopped
T12 >> 1462272340.11373210 Blacs Orbital Layouts (17254.78282s) started
T12 >> 1462272340.12266707 General diagonalize (17185.46292s) started
T12 << 1462272391.73567390 General diagonalize (17237.07593s) stopped
T12 >> 1462272391.73571897 Redistribute coefs (2.56953s) started
T12 << 1462272391.74301100 Redistribute coefs (2.57682s) stopped
T12 >> 1462272391.74309301 Send coefs to domains (63.87771s) started
T12 << 1462272391.99058008 Send coefs to domains (64.12520s) stopped
T12 << 1462272391.99096704 Blacs Orbital Layouts (17306.66006s) stopped
T12 >> 1462272391.99099588 Calculate projections (559.63199s) started
T12 << 1462272393.75616288 Calculate projections (561.39716s) stopped
T12 << 1462272393.75651693 LCAO eigensolver (20553.86456s) stopped
T12 >> 1462272396.86568594 Density (4958.82479s) started
T12 >> 1462272396.86570096 Pseudo density (3847.15643s) started
T12 >> 1462272396.86823702 Calculate density matrix (3615.95998s) started
T12 << 1462272408.87187696 Calculate density matrix (3627.96362s) stopped
T12 >> 1462272408.87192392 Construct density (225.09536s) started
T12 << 1462272409.61434197 Construct density (225.83778s) stopped
T12 >> 1462272409.62816095 Symmetrize density (0.02558s) started
T12 << 1462272409.62821794 Symmetrize density (0.02563s) stopped
T12 << 1462272409.63022590 Pseudo density (3859.92096s) stopped
T12 >> 1462272409.63028598 Atomic density matrices (977.14030s) started
T12 << 1462272413.03816700 Atomic density matrices (980.54818s) stopped
T12 >> 1462272413.03819704 Multipole moments (3.11182s) started
T12 << 1462272413.05018306 Multipole moments (3.12380s) stopped
T12 >> 1462272413.05021405 Normalize (2.06852s) started
T12 << 1462272413.05626297 Normalize (2.07457s) stopped
T12 >> 1462272413.05634594 Mix (129.32477s) started
T12 << 1462272413.47738504 Mix (129.74581s) stopped
T12 << 1462272413.47743011 Density (4975.43654s) stopped
T12 >> 1462272413.47745395 Hamiltonian (14044.58899s) started
T12 >> 1462272413.47746897 vbar (8.36845s) started
T12 << 1462272413.50913596 vbar (8.40011s) stopped
T12 >> 1462272413.50935793 XC 3D grid (8585.59180s) started
T12 >> 1462272413.98927903 van der Waals (8296.09201s) started
T12 >> 1462272414.09820700 semilocal (1748.07508s) started
T12 << 1462272419.86384702 semilocal (1753.84072s) stopped
T12 >> 1462272419.93857503 redistribute (889.25798s) started
T12 << 1462272420.98798704 redistribute (890.30739s) stopped
T12 >> 1462272420.98805690 libvdwxc nonlocal (5600.85784s) started
T12 << 1462272439.34232092 libvdwxc nonlocal (5619.21211s) stopped
T12 >> 1462272439.34238005 redistribute (890.30745s) started
T12 << 1462272441.02153397 redistribute (891.98660s) stopped
T12 << 1462272441.02258611 van der Waals (8323.12532s) stopped
T12 << 1462272441.48369288 XC 3D grid (8613.56614s) stopped
T12 >> 1462272441.48375511 Poisson (1962.64612s) started
T12 << 1462272447.29525208 Poisson (1968.45762s) stopped
T12 >> 1462272447.29537606 Hartree integrate/restrict (111.57690s) started
T12 << 1462272447.34554696 Hartree integrate/restrict (111.62707s) stopped
T12 >> 1462272447.34562993 Hartree integrate/restrict (111.62712s) started
T12 << 1462272447.65559292 Hartree integrate/restrict (111.93709s) stopped
T12 >> 1462272447.65573311 Atomic (722.41736s) started
T12 >> 1462272447.65735888 XC Correction (0.00989s) started
T12 << 1462272447.65739799 XC Correction (0.00992s) stopped
T12 << 1462272450.06908107 Atomic (724.83070s) stopped
T12 >> 1462272450.06922507 Communicate (2653.85200s) started
T12 << 1462272462.80337596 Communicate (2666.58615s) stopped
T12 << 1462272462.80341291 Hamiltonian (14093.91495s) stopped
T12 >> 1462272462.80343890 LCAO eigensolver (20553.86457s) started
T12 >> 1462272462.80345106 Potential matrix (311.10483s) started
T12 << 1462272463.76533890 Potential matrix (312.06671s) stopped
T12 >> 1462272463.76542091 DistributedAtomicCorrection (123.33823s) started
T12 << 1462272464.17543793 DistributedAtomicCorrection (123.74825s) stopped
T12 >> 1462272464.17548108 Distribute overlap matrix (2249.78056s) started
T12 >> 1462272464.17551494 blocked summation (1267.93525s) started
T12 << 1462272468.17435408 blocked summation (1271.93408s) stopped
T12 >> 1462272468.18445492 Scalapack redistribute (978.66832s) started
T12 << 1462272471.37072110 Scalapack redistribute (981.85458s) stopped
T12 << 1462272471.37082911 Distribute overlap matrix (2256.97590s) stopped
T12 >> 1462272471.37564898 Blacs Orbital Layouts (17306.66008s) started
T12 >> 1462272471.38431501 General diagonalize (17237.07597s) started
T12 << 1462272522.88241291 General diagonalize (17288.57406s) stopped
T12 >> 1462272522.88245797 Redistribute coefs (2.57689s) started
T12 << 1462272522.89006710 Redistribute coefs (2.58450s) stopped
T12 >> 1462272522.89013791 Send coefs to domains (64.12524s) started
T12 << 1462272522.98913288 Send coefs to domains (64.22423s) stopped
T12 << 1462272522.98954296 Blacs Orbital Layouts (17358.27397s) stopped
T12 >> 1462272522.98957205 Calculate projections (561.39721s) started
T12 << 1462272524.75621104 Calculate projections (563.16384s) stopped
T12 << 1462272524.75655699 LCAO eigensolver (20615.81769s) stopped
T12 >> 1462272527.88394403 Density (4975.43655s) started
T12 >> 1462272527.88395810 Pseudo density (3859.92100s) started
T12 >> 1462272527.88625503 Calculate density matrix (3627.96366s) started
T12 << 1462272539.84058499 Calculate density matrix (3639.91799s) stopped
T12 >> 1462272539.84063196 Construct density (225.83783s) started
T12 << 1462272540.58267689 Construct density (226.57988s) stopped
T12 >> 1462272540.59662294 Symmetrize density (0.02565s) started
T12 << 1462272540.59668493 Symmetrize density (0.02571s) stopped
T12 << 1462272540.59871197 Pseudo density (3872.63576s) stopped
T12 >> 1462272540.59877110 Atomic density matrices (980.54820s) started
T12 << 1462272544.03817892 Atomic density matrices (983.98761s) stopped
T12 >> 1462272544.03820992 Multipole moments (3.12382s) started
T12 << 1462272544.05075502 Multipole moments (3.13637s) stopped
T12 >> 1462272544.05078912 Normalize (2.07463s) started
T12 << 1462272544.05695510 Normalize (2.08080s) stopped
T12 >> 1462272544.05701399 Mix (129.74585s) started
T12 << 1462272544.48399305 Mix (130.17283s) stopped
T12 << 1462272544.48404098 Density (4992.03665s) stopped
T12 >> 1462272544.48406696 Hamiltonian (14093.91496s) started
T12 >> 1462272544.48408198 vbar (8.40025s) started
T12 << 1462272544.50626397 vbar (8.42243s) stopped
T12 >> 1462272544.50636005 XC 3D grid (8613.56619s) started
T12 >> 1462272545.07040596 van der Waals (8323.12534s) started
T12 >> 1462272545.17932892 semilocal (1753.84077s) started
T12 << 1462272551.02535105 semilocal (1759.68679s) stopped
T12 >> 1462272551.09723806 redistribute (891.98664s) started
T12 << 1462272552.03923607 redistribute (892.92863s) stopped
T12 >> 1462272552.03927898 libvdwxc nonlocal (5619.21215s) started
T12 << 1462272570.37888288 libvdwxc nonlocal (5637.55176s) stopped
T12 >> 1462272570.37894607 redistribute (892.92867s) started
T12 << 1462272572.14792609 redistribute (894.69765s) stopped
T12 << 1462272572.14912796 van der Waals (8350.20406s) stopped
T12 << 1462272572.61489892 XC 3D grid (8641.67473s) stopped
T12 >> 1462272572.61493897 Poisson (1968.45772s) started
T12 << 1462272576.93918300 Poisson (1972.78196s) stopped
T12 >> 1462272576.93924999 Hartree integrate/restrict (111.93713s) started
T12 << 1462272576.98318601 Hartree integrate/restrict (111.98107s) stopped
T12 >> 1462272576.98323989 Hartree integrate/restrict (111.98110s) started
T12 << 1462272577.32890606 Hartree integrate/restrict (112.32677s) stopped
T12 >> 1462272577.32904601 Atomic (724.83073s) started
T12 >> 1462272577.33080411 XC Correction (0.00994s) started
T12 << 1462272577.33082294 XC Correction (0.00996s) stopped
T12 << 1462272579.72423410 Atomic (727.22591s) stopped
T12 >> 1462272579.72436595 Communicate (2666.58617s) started
T12 << 1462272592.45038295 Communicate (2679.31219s) stopped
T12 << 1462272592.45041609 Hamiltonian (14141.88131s) stopped
T12 >> 1462272592.45043993 LCAO eigensolver (20615.81771s) started
T12 >> 1462272592.45045304 Potential matrix (312.06676s) started
T12 << 1462272593.41123390 Potential matrix (313.02754s) stopped
T12 >> 1462272593.41131997 DistributedAtomicCorrection (123.74828s) started
T12 << 1462272593.81891298 DistributedAtomicCorrection (124.15587s) stopped
T12 >> 1462272593.81896091 Distribute overlap matrix (2256.97592s) started
T12 >> 1462272593.81899309 blocked summation (1271.93413s) started
T12 << 1462272597.73741007 blocked summation (1275.85255s) stopped
T12 >> 1462272597.74800801 Scalapack redistribute (981.85465s) started
T12 << 1462272601.19309711 Scalapack redistribute (985.29973s) stopped
T12 << 1462272601.19317389 Distribute overlap matrix (2264.35013s) stopped
T12 >> 1462272601.19751692 Blacs Orbital Layouts (17358.27399s) started
T12 >> 1462272601.20617199 General diagonalize (17288.57410s) started
T12 << 1462272652.65557098 General diagonalize (17340.02350s) stopped
T12 >> 1462272652.65561795 Redistribute coefs (2.58456s) started
T12 << 1462272652.66322589 Redistribute coefs (2.59216s) stopped
T12 >> 1462272652.66330290 Send coefs to domains (64.22427s) started
T12 << 1462272652.76574397 Send coefs to domains (64.32671s) stopped
T12 << 1462272652.76610208 Blacs Orbital Layouts (17409.84257s) stopped
T12 >> 1462272652.76612997 Calculate projections (563.16389s) started
T12 << 1462272654.53063703 Calculate projections (564.92840s) stopped
T12 << 1462272654.53098607 LCAO eigensolver (20677.89826s) stopped
T12 >> 1462272657.66373491 Density (4992.03666s) started
T12 >> 1462272657.66374898 Pseudo density (3872.63581s) started
T12 >> 1462272657.66622901 Calculate density matrix (3639.91802s) started
T12 << 1462272669.66421700 Calculate density matrix (3651.91601s) stopped
T12 >> 1462272669.66426611 Construct density (226.57992s) started
T12 << 1462272670.40561295 Construct density (227.32127s) stopped
T12 >> 1462272670.41954398 Symmetrize density (0.02573s) started
T12 << 1462272670.41960406 Symmetrize density (0.02579s) stopped
T12 << 1462272670.42160797 Pseudo density (3885.39367s) stopped
T12 >> 1462272670.42166495 Atomic density matrices (983.98764s) started
T12 << 1462272673.81205702 Atomic density matrices (987.37803s) stopped
T12 >> 1462272673.81208801 Multipole moments (3.13638s) started
T12 << 1462272673.82463193 Multipole moments (3.14893s) stopped
T12 >> 1462272673.82466292 Normalize (2.08084s) started
T12 << 1462272673.83085608 Normalize (2.08704s) stopped
T12 >> 1462272673.83094311 Mix (130.17288s) started
T12 << 1462272674.24646902 Mix (130.58840s) stopped
T12 << 1462272674.24650192 Density (5008.61943s) stopped
T12 >> 1462272674.24652791 Hamiltonian (14141.88132s) started
T12 >> 1462272674.24654293 vbar (8.42249s) started
T12 << 1462272674.26796699 vbar (8.44391s) stopped
T12 >> 1462272674.26806092 XC 3D grid (8641.67476s) started
T12 >> 1462272674.77908897 van der Waals (8350.20409s) started
T12 >> 1462272674.89220095 semilocal (1759.68687s) started
T12 << 1462272680.70405507 semilocal (1765.49872s) stopped
T12 >> 1462272680.77622104 redistribute (894.69768s) started
T12 << 1462272681.72990799 redistribute (895.65137s) stopped
T12 >> 1462272681.72995090 libvdwxc nonlocal (5637.55180s) started
T12 << 1462272699.93580103 libvdwxc nonlocal (5655.75765s) stopped
T12 >> 1462272699.93586898 redistribute (895.65140s) started
T12 << 1462272701.64089799 redistribute (897.35643s) stopped
T12 << 1462272701.64219093 van der Waals (8377.06719s) stopped
T12 << 1462272702.10764289 XC 3D grid (8669.51434s) stopped
T12 >> 1462272702.10768509 Poisson (1972.78201s) started
T12 << 1462272706.55538797 Poisson (1977.22972s) stopped
T12 >> 1462272706.55546188 Hartree integrate/restrict (112.32681s) started
T12 << 1462272706.59592009 Hartree integrate/restrict (112.36727s) stopped
T12 >> 1462272706.59595990 Hartree integrate/restrict (112.36730s) started
T12 << 1462272706.91531610 Hartree integrate/restrict (112.68665s) stopped
T12 >> 1462272706.91544795 Atomic (727.22594s) started
T12 >> 1462272706.91715193 XC Correction (0.00997s) started
T12 << 1462272706.91718197 XC Correction (0.01000s) stopped
T12 << 1462272709.32099700 Atomic (729.63148s) stopped
T12 >> 1462272709.32111692 Communicate (2679.31221s) started
T12 << 1462272722.05051899 Communicate (2692.04161s) stopped
T12 << 1462272722.05055094 Hamiltonian (14189.68534s) stopped
T12 >> 1462272722.05057502 LCAO eigensolver (20677.89828s) started
T12 >> 1462272722.05058789 Potential matrix (313.02759s) started
T12 << 1462272723.00355411 Potential matrix (313.98056s) stopped
T12 >> 1462272723.00362492 DistributedAtomicCorrection (124.15591s) started
T12 << 1462272723.40419507 DistributedAtomicCorrection (124.55648s) stopped
T12 >> 1462272723.40424109 Distribute overlap matrix (2264.35015s) started
T12 >> 1462272723.40427089 blocked summation (1275.85260s) started
T12 << 1462272727.38309598 blocked summation (1279.83143s) stopped
T12 >> 1462272727.39295101 Scalapack redistribute (985.29977s) started
T12 << 1462272730.83125496 Scalapack redistribute (988.73807s) stopped
T12 << 1462272730.83136201 Distribute overlap matrix (2271.77727s) stopped
T12 >> 1462272730.83670998 Blacs Orbital Layouts (17409.84259s) started
T12 >> 1462272730.84589696 General diagonalize (17340.02354s) started
T12 << 1462272782.38901401 General diagonalize (17391.56665s) stopped
T12 >> 1462272782.38905907 Redistribute coefs (2.59222s) started
T12 << 1462272782.39613795 Redistribute coefs (2.59930s) stopped
T12 >> 1462272782.39622498 Send coefs to domains (64.32674s) started
T12 << 1462272782.66653109 Send coefs to domains (64.59705s) stopped
T12 << 1462272782.66686702 Blacs Orbital Layouts (17461.67275s) stopped
T12 >> 1462272782.66689706 Calculate projections (564.92845s) started
T12 << 1462272784.43213201 Calculate projections (566.69368s) stopped
T12 << 1462272784.43249393 LCAO eigensolver (20740.28019s) stopped
T12 >> 1462272787.54285502 Density (5008.61944s) started
T12 >> 1462272787.54287004 Pseudo density (3885.39371s) started
T12 >> 1462272787.54518199 Calculate density matrix (3651.91605s) started
T12 << 1462272799.48868489 Calculate density matrix (3663.85955s) stopped
T12 >> 1462272799.48873091 Construct density (227.32132s) started
T12 << 1462272800.22975898 Construct density (228.06235s) stopped
T12 >> 1462272800.24389291 Symmetrize density (0.02581s) started
T12 << 1462272800.24395490 Symmetrize density (0.02587s) stopped
T12 << 1462272800.24590206 Pseudo density (3898.09674s) stopped
T12 >> 1462272800.24596000 Atomic density matrices (987.37805s) started
T12 << 1462272803.60595798 Atomic density matrices (990.73805s) stopped
T12 >> 1462272803.60598898 Multipole moments (3.14894s) started
T12 << 1462272803.61853194 Multipole moments (3.16148s) stopped
T12 >> 1462272803.61856294 Normalize (2.08711s) started
T12 << 1462272803.62467194 Normalize (2.09321s) stopped
T12 >> 1462272803.62475610 Mix (130.58844s) started
T12 << 1462272804.04847789 Mix (131.01216s) stopped
T12 << 1462272804.04852796 Density (5025.12511s) stopped
T12 >> 1462272804.04855394 Hamiltonian (14189.68535s) started
T12 >> 1462272804.04856992 vbar (8.44396s) started
T12 << 1462272804.06947899 vbar (8.46487s) stopped
T12 >> 1462272804.06954002 XC 3D grid (8669.51437s) started
T12 >> 1462272804.58833504 van der Waals (8377.06725s) started
T12 >> 1462272804.69837499 semilocal (1765.49879s) started
T12 << 1462272810.51768398 semilocal (1771.31810s) stopped
T12 >> 1462272810.59070706 redistribute (897.35646s) started
T12 << 1462272811.54654193 redistribute (898.31230s) stopped
T12 >> 1462272811.54658389 libvdwxc nonlocal (5655.75771s) started
T12 << 1462272830.03241110 libvdwxc nonlocal (5674.24353s) stopped
T12 >> 1462272830.03246903 redistribute (898.31233s) started
T12 << 1462272831.72603893 redistribute (900.00590s) stopped
T12 << 1462272831.72729611 van der Waals (8404.20621s) stopped
T12 << 1462272832.18815708 XC 3D grid (8697.63299s) stopped
T12 >> 1462272832.18821406 Poisson (1977.22977s) started
T12 << 1462272836.54094291 Poisson (1981.58250s) stopped
T12 >> 1462272836.54106212 Hartree integrate/restrict (112.68669s) started
T12 << 1462272836.58525896 Hartree integrate/restrict (112.73089s) stopped
T12 >> 1462272836.58533812 Hartree integrate/restrict (112.73095s) started
T12 << 1462272836.93095112 Hartree integrate/restrict (113.07656s) stopped
T12 >> 1462272836.93106508 Atomic (729.63151s) started
T12 >> 1462272836.93270802 XC Correction (0.01001s) started
T12 << 1462272836.93272805 XC Correction (0.01003s) stopped
T12 << 1462272839.33469701 Atomic (732.03514s) stopped
T12 >> 1462272839.33481002 Communicate (2692.04164s) started
T12 << 1462272852.19239593 Communicate (2704.89922s) stopped
T12 << 1462272852.19243002 Hamiltonian (14237.82923s) stopped
T12 >> 1462272852.19245505 LCAO eigensolver (20740.28021s) started
T12 >> 1462272852.19246793 Potential matrix (313.98060s) started
T12 << 1462272853.15358400 Potential matrix (314.94172s) stopped
T12 >> 1462272853.15366912 DistributedAtomicCorrection (124.55652s) started
T12 << 1462272853.55510998 DistributedAtomicCorrection (124.95796s) stopped
T12 >> 1462272853.55515695 Distribute overlap matrix (2271.77728s) started
T12 >> 1462272853.55518699 blocked summation (1279.83148s) started
T12 << 1462272857.54185390 blocked summation (1283.81814s) stopped
T12 >> 1462272857.55164599 Scalapack redistribute (988.73814s) started
T12 << 1462272860.79385591 Scalapack redistribute (991.98035s) stopped
T12 << 1462272860.79396105 Distribute overlap matrix (2279.01608s) stopped
T12 >> 1462272860.79801512 Blacs Orbital Layouts (17461.67277s) started
T12 >> 1462272860.80678797 General diagonalize (17391.56669s) started
T12 << 1462272914.94167304 General diagonalize (17445.70158s) stopped
T12 >> 1462272914.94172001 Redistribute coefs (2.59937s) started
T12 << 1462272914.94933391 Redistribute coefs (2.60699s) stopped
T12 >> 1462272914.94940090 Send coefs to domains (64.59708s) started
T12 << 1462272915.22572494 Send coefs to domains (64.87341s) stopped
T12 << 1462272915.22606897 Blacs Orbital Layouts (17516.10082s) stopped
T12 >> 1462272915.22609901 Calculate projections (566.69374s) started
T12 << 1462272916.99223495 Calculate projections (568.45987s) stopped
T12 << 1462272916.99257398 LCAO eigensolver (20805.08033s) stopped
T12 >> 1462272920.10525489 Density (5025.12513s) started
T12 >> 1462272920.10526991 Pseudo density (3898.09679s) started
T12 >> 1462272920.10755110 Calculate density matrix (3663.85958s) started
T12 << 1462272932.00272894 Calculate density matrix (3675.75476s) stopped
T12 >> 1462272932.00277591 Construct density (228.06240s) started
T12 << 1462272932.74344707 Construct density (228.80307s) stopped
T12 >> 1462272932.75703812 Symmetrize density (0.02588s) started
T12 << 1462272932.75709391 Symmetrize density (0.02594s) stopped
T12 << 1462272932.75909209 Pseudo density (3910.75061s) stopped
T12 >> 1462272932.75915289 Atomic density matrices (990.73808s) started
T12 << 1462272936.13570309 Atomic density matrices (994.11463s) stopped
T12 >> 1462272936.13573503 Multipole moments (3.16150s) started
T12 << 1462272936.14833093 Multipole moments (3.17410s) stopped
T12 >> 1462272936.14836311 Normalize (2.09328s) started
T12 << 1462272936.15454698 Normalize (2.09947s) stopped
T12 >> 1462272936.15459800 Mix (131.01221s) started
T12 << 1462272936.58847594 Mix (131.44609s) stopped
T12 << 1462272936.58852601 Density (5041.60840s) stopped
T12 >> 1462272936.58855200 Hamiltonian (14237.82924s) started
T12 >> 1462272936.58856702 vbar (8.46491s) started
T12 << 1462272936.61202192 vbar (8.48836s) stopped
T12 >> 1462272936.61216903 XC 3D grid (8697.63304s) started
T12 >> 1462272937.11552000 van der Waals (8404.20625s) started
T12 >> 1462272937.22337389 semilocal (1771.31815s) started
T12 << 1462272943.07198095 semilocal (1777.16676s) stopped
T12 >> 1462272943.14793491 redistribute (900.00594s) started
T12 << 1462272944.10824394 redistribute (900.96624s) stopped
T12 >> 1462272944.10828590 libvdwxc nonlocal (5674.24358s) started
T12 << 1462272962.51513791 libvdwxc nonlocal (5692.65043s) stopped
T12 >> 1462272962.51519990 redistribute (900.96628s) started
T12 << 1462272964.18523192 redistribute (902.63631s) stopped
T12 << 1462272964.18626809 van der Waals (8431.27700s) stopped
T12 << 1462272964.66308999 XC 3D grid (8725.68396s) stopped
T12 >> 1462272964.66314507 Poisson (1981.58260s) started
T12 << 1462272969.01120305 Poisson (1985.93065s) stopped
T12 >> 1462272969.01127195 Hartree integrate/restrict (113.07659s) started
T12 << 1462272969.05537701 Hartree integrate/restrict (113.12070s) stopped
T12 >> 1462272969.05542994 Hartree integrate/restrict (113.12073s) started
T12 << 1462272969.36960793 Hartree integrate/restrict (113.43491s) stopped
T12 >> 1462272969.36977005 Atomic (732.03516s) started
T12 >> 1462272969.37147188 XC Correction (0.01005s) started
T12 << 1462272969.37148595 XC Correction (0.01006s) stopped
T12 << 1462272971.78036904 Atomic (734.44576s) stopped
T12 >> 1462272971.78046608 Communicate (2704.89924s) started
T12 << 1462272984.62005496 Communicate (2717.73883s) stopped
T12 << 1462272984.62009001 Hamiltonian (14285.86078s) stopped
T12 >> 1462272984.62011504 LCAO eigensolver (20805.08035s) started
T12 >> 1462272984.62012792 Potential matrix (314.94177s) started
T12 << 1462272985.57142091 Potential matrix (315.89306s) stopped
T12 >> 1462272985.57148910 DistributedAtomicCorrection (124.95800s) started
T12 << 1462272985.96951103 DistributedAtomicCorrection (125.35602s) stopped
T12 >> 1462272985.96955800 Distribute overlap matrix (2279.01610s) started
T12 >> 1462272985.96958709 blocked summation (1283.81820s) started
T12 << 1462272989.98353601 blocked summation (1287.83214s) stopped
T12 >> 1462272989.99255109 Scalapack redistribute (991.98041s) started
T12 << 1462272993.20932388 Scalapack redistribute (995.19718s) stopped
T12 << 1462272993.20939803 Distribute overlap matrix (2286.25594s) stopped
T12 >> 1462272993.21393108 Blacs Orbital Layouts (17516.10084s) started
T12 >> 1462272993.22267795 General diagonalize (17445.70161s) started
T12 << 1462273047.34717989 General diagonalize (17499.82612s) stopped
T12 >> 1462273047.34722495 Redistribute coefs (2.60704s) started
T12 << 1462273047.35473895 Redistribute coefs (2.61456s) stopped
T12 >> 1462273047.35483098 Send coefs to domains (64.87344s) started
T12 << 1462273047.45044398 Send coefs to domains (64.96905s) stopped
T12 << 1462273047.45084000 Blacs Orbital Layouts (17570.33775s) stopped
T12 >> 1462273047.45086694 Calculate projections (568.45992s) started
T12 << 1462273049.21916199 Calculate projections (570.22821s) stopped
T12 << 1462273049.21934605 LCAO eigensolver (20869.67958s) stopped
T12 >> 1462273052.34989190 Density (5041.60841s) started
T12 >> 1462273052.34990597 Pseudo density (3910.75066s) started
T12 >> 1462273052.35264492 Calculate density matrix (3675.75479s) started
T12 << 1462273064.23475289 Calculate density matrix (3687.63690s) stopped
T12 >> 1462273064.23480701 Construct density (228.80312s) started
T12 << 1462273064.97854304 Construct density (229.54686s) stopped
T12 >> 1462273064.99245000 Symmetrize density (0.02596s) started
T12 << 1462273064.99250603 Symmetrize density (0.02601s) stopped
T12 << 1462273064.99451900 Pseudo density (3923.39527s) stopped
T12 >> 1462273064.99458098 Atomic density matrices (994.11465s) started
T12 << 1462273068.39273691 Atomic density matrices (997.51281s) stopped
T12 >> 1462273068.39276791 Multipole moments (3.17411s) started
T12 << 1462273068.40538001 Multipole moments (3.18672s) stopped
T12 >> 1462273068.40541196 Normalize (2.09950s) started
T12 << 1462273068.41143394 Normalize (2.10553s) stopped
T12 >> 1462273068.41155410 Mix (131.44614s) started
T12 << 1462273068.81260800 Mix (131.84719s) stopped
T12 << 1462273068.81267905 Density (5058.07120s) stopped
T12 >> 1462273068.81271100 Hamiltonian (14285.86079s) started
T12 >> 1462273068.81272793 vbar (8.48845s) started
T12 << 1462273068.83383298 vbar (8.50955s) stopped
T12 >> 1462273068.83391905 XC 3D grid (8725.68400s) started
T12 >> 1462273069.32952905 van der Waals (8431.27702s) started
T12 >> 1462273069.44058299 semilocal (1777.16687s) started
T12 << 1462273075.29487300 semilocal (1783.02116s) stopped
T12 >> 1462273075.38132310 redistribute (902.63636s) started
T12 << 1462273076.34573007 redistribute (903.60077s) stopped
T12 >> 1462273076.34577298 libvdwxc nonlocal (5692.65048s) started
T12 << 1462273094.59594703 libvdwxc nonlocal (5710.90065s) stopped
T12 >> 1462273094.59601092 redistribute (903.60080s) started
T12 << 1462273096.29903698 redistribute (905.30383s) stopped
T12 << 1462273096.30007601 van der Waals (8458.24756s) stopped
T12 << 1462273096.75927401 XC 3D grid (8753.60936s) stopped
T12 >> 1462273096.75933194 Poisson (1985.93070s) started
T12 << 1462273099.68261790 Poisson (1988.85399s) stopped
T12 >> 1462273099.68267989 Hartree integrate/restrict (113.43496s) started
T12 << 1462273099.73267508 Hartree integrate/restrict (113.48496s) stopped
T12 >> 1462273099.73272610 Hartree integrate/restrict (113.48499s) started
T12 << 1462273100.05812907 Hartree integrate/restrict (113.81039s) stopped
T12 >> 1462273100.05824709 Atomic (734.44578s) started
T12 >> 1462273100.06006598 XC Correction (0.01007s) started
T12 << 1462273100.06010199 XC Correction (0.01011s) stopped
T12 << 1462273102.46352601 Atomic (736.85106s) stopped
T12 >> 1462273102.46361399 Communicate (2717.73886s) started
T12 << 1462273115.28726196 Communicate (2730.56250s) stopped
T12 << 1462273115.28729701 Hamiltonian (14332.33538s) stopped
T12 >> 1462273115.28732300 LCAO eigensolver (20869.67960s) started
T12 >> 1462273115.28733706 Potential matrix (315.89311s) started
T12 << 1462273116.23979306 Potential matrix (316.84556s) stopped
T12 >> 1462273116.23987889 DistributedAtomicCorrection (125.35606s) started
T12 << 1462273116.64525509 DistributedAtomicCorrection (125.76144s) stopped
T12 >> 1462273116.64530110 Distribute overlap matrix (2286.25595s) started
T12 >> 1462273116.64533210 blocked summation (1287.83217s) started
T12 << 1462273120.60241294 blocked summation (1291.78926s) stopped
T12 >> 1462273120.61190391 Scalapack redistribute (995.19722s) started
T12 << 1462273123.91966891 Scalapack redistribute (998.50498s) stopped
T12 << 1462273123.91977000 Distribute overlap matrix (2293.53042s) stopped
T12 >> 1462273123.92416811 Blacs Orbital Layouts (17570.33777s) started
T12 >> 1462273123.93296099 General diagonalize (17499.82615s) started
T12 << 1462273178.14434290 General diagonalize (17554.03753s) stopped
T12 >> 1462273178.14442110 Redistribute coefs (2.61463s) started
T12 << 1462273178.15193009 Redistribute coefs (2.62214s) stopped
T12 >> 1462273178.15203309 Send coefs to domains (64.96908s) started
T12 << 1462273178.36459303 Send coefs to domains (65.18164s) stopped
T12 << 1462273178.36496210 Blacs Orbital Layouts (17624.77857s) stopped
T12 >> 1462273178.36498904 Calculate projections (570.22826s) started
T12 << 1462273180.13164091 Calculate projections (571.99491s) stopped
T12 << 1462273180.13182998 LCAO eigensolver (20934.52410s) stopped
T12 >> 1462273183.26292706 Density (5058.07121s) started
T12 >> 1462273183.26294208 Pseudo density (3923.39532s) started
T12 >> 1462273183.26517391 Calculate density matrix (3687.63694s) started
T12 << 1462273195.14286304 Calculate density matrix (3699.51463s) stopped
T12 >> 1462273195.14291096 Construct density (229.54691s) started
T12 << 1462273195.88558197 Construct density (230.28958s) stopped
T12 >> 1462273195.89952803 Symmetrize density (0.02603s) started
T12 << 1462273195.89958501 Symmetrize density (0.02609s) stopped
T12 << 1462273195.90161109 Pseudo density (3936.03399s) stopped
T12 >> 1462273195.90166998 Atomic density matrices (997.51283s) started
T12 << 1462273199.28623199 Atomic density matrices (1000.89739s) stopped
T12 >> 1462273199.28628707 Multipole moments (3.18674s) started
T12 << 1462273199.29882908 Multipole moments (3.19928s) stopped
T12 >> 1462273199.29885888 Normalize (2.10563s) started
T12 << 1462273199.30494595 Normalize (2.11171s) stopped
T12 >> 1462273199.30503988 Mix (131.84726s) started
T12 << 1462273199.73404002 Mix (132.27626s) stopped
T12 << 1462273199.73409510 Density (5074.54238s) stopped
T12 >> 1462273199.73412299 Hamiltonian (14332.33539s) started
T12 >> 1462273199.73413706 vbar (8.50960s) started
T12 << 1462273199.76239705 vbar (8.53786s) stopped
T12 >> 1462273199.76257396 XC 3D grid (8753.60941s) started
T12 >> 1462273200.24583697 van der Waals (8458.24759s) started
T12 >> 1462273200.35791898 semilocal (1783.02127s) started
T12 << 1462273206.17079496 semilocal (1788.83415s) stopped
T12 >> 1462273206.24935889 redistribute (905.30388s) started
T12 << 1462273207.23203492 redistribute (906.28656s) stopped
T12 >> 1462273207.23207808 libvdwxc nonlocal (5710.90070s) started
T12 << 1462273225.79218698 libvdwxc nonlocal (5729.46081s) stopped
T12 >> 1462273225.79225397 redistribute (906.28659s) started
T12 << 1462273227.52518106 redistribute (908.01952s) stopped
T12 << 1462273227.52644491 van der Waals (8485.52820s) stopped
T12 << 1462273227.98463392 XC 3D grid (8781.83147s) stopped
T12 >> 1462273227.98467493 Poisson (1988.85404s) started
T12 << 1462273232.30882502 Poisson (1993.17819s) stopped
T12 >> 1462273232.30889702 Hartree integrate/restrict (113.81042s) started
T12 << 1462273232.35165596 Hartree integrate/restrict (113.85318s) stopped
T12 >> 1462273232.35169506 Hartree integrate/restrict (113.85321s) started
T12 << 1462273232.67311502 Hartree integrate/restrict (114.17463s) stopped
T12 >> 1462273232.67327595 Atomic (736.85108s) started
T12 >> 1462273232.67489505 XC Correction (0.01012s) started
T12 << 1462273232.67491102 XC Correction (0.01014s) stopped
T12 << 1462273235.08103490 Atomic (739.25884s) stopped
T12 >> 1462273235.08112192 Communicate (2730.56253s) started
T12 << 1462273247.93552804 Communicate (2743.41693s) stopped
T12 << 1462273247.93555403 Hamiltonian (14380.53682s) stopped
T12 >> 1462273247.93557501 LCAO eigensolver (20934.52412s) started
T12 >> 1462273247.93558693 Potential matrix (316.84561s) started
T12 << 1462273248.88428211 Potential matrix (317.79431s) stopped
T12 >> 1462273248.88436508 DistributedAtomicCorrection (125.76148s) started
T12 << 1462273249.28606510 DistributedAtomicCorrection (126.16318s) stopped
T12 >> 1462273249.28611302 Distribute overlap matrix (2293.53045s) started
T12 >> 1462273249.28614306 blocked summation (1291.78928s) started
T12 << 1462273253.24443412 blocked summation (1295.74758s) stopped
T12 >> 1462273253.25398993 Scalapack redistribute (998.50504s) started
T12 << 1462273256.81037307 Scalapack redistribute (1002.06142s) stopped
T12 << 1462273256.81047606 Distribute overlap matrix (2301.05481s) stopped
T12 >> 1462273256.81457090 Blacs Orbital Layouts (17624.77858s) started
T12 >> 1462273256.82346010 General diagonalize (17554.03760s) started
T12 << 1462273308.07393503 General diagonalize (17605.28807s) stopped
T12 >> 1462273308.07398009 Redistribute coefs (2.62222s) started
T12 << 1462273308.08135390 Redistribute coefs (2.62960s) stopped
T12 >> 1462273308.08142495 Send coefs to domains (65.18168s) started
T12 << 1462273308.20286012 Send coefs to domains (65.30311s) stopped
T12 << 1462273308.20327091 Blacs Orbital Layouts (17676.16728s) stopped
T12 >> 1462273308.20330000 Calculate projections (571.99496s) started
T12 << 1462273309.97109389 Calculate projections (573.76275s) stopped
T12 << 1462273309.97144198 LCAO eigensolver (20996.55999s) stopped
T12 << 1462273313.10053110 SCF-cycle (41505.77340s) stopped
T12 >> 1462273315.20494795 Force calculation (1572.55648s) started
T12 >> 1462273315.20501804 LCAO forces (1555.23639s) started
T12 >> 1462273315.20537496 Initial (0.00047s) started
T12 << 1462273315.20538592 Initial (0.00048s) stopped
T12 >> 1462273315.21173310 Get density matrix (821.82620s) started
T12 << 1462273324.33947802 Get density matrix (830.95394s) stopped
T12 >> 1462273324.33951807 Potential (124.55430s) started
T12 << 1462273330.26672506 Potential (130.48151s) stopped
T12 >> 1462273330.26678610 Get density matrix (830.95397s) started
T12 << 1462273361.17471695 Get density matrix (861.86191s) stopped
T12 >> 1462273361.17477608 Prepare TCI loop (43.40702s) started
T12 >> 1462273361.17525601 Get neighbors (39.49606s) started
T12 << 1462273363.00059295 Get neighbors (41.32140s) stopped
T12 >> 1462273363.00142789 broadcast dH (3.88809s) started
T12 << 1462273363.28301501 broadcast dH (4.16968s) stopped
T12 << 1462273363.28305697 Prepare TCI loop (45.51530s) stopped
T12 >> 1462273363.28307509 Not so complicated loop (2.42677s) started
T12 << 1462273363.39664793 Not so complicated loop (2.54034s) stopped
T12 >> 1462273363.50933099 Complicated loop (367.34987s) started
T12 << 1462273381.79567099 Complicated loop (385.63621s) stopped
T12 >> 1462273381.79757595 Wait for sum (193.13969s) started
T12 << 1462273391.65720797 Wait for sum (202.99933s) stopped
T12 << 1462273391.65724301 LCAO forces (1631.68861s) stopped
T12 << 1462273392.46253109 Force calculation (1649.81406s) stopped
T12 >> 1462273392.48040104 Initialization (2583.18586s) started
T12 << 1462273392.48056602 Initialization (2583.18602s) stopped
T12 >> 1462273392.48078489 Initialization (2583.18604s) started
T12 << 1462273392.48091888 Initialization (2583.18617s) stopped
T12 >> 1462273392.48105311 Initialization (2583.18619s) started
T12 << 1462273392.48117995 Initialization (2583.18631s) stopped
T12 >> 1462273412.80695891 Initialization (2583.18633s) started
T12 >> 1462273412.87536597 Basic WFS set positions (1.83067s) started
T12 >> 1462273412.87539005 Redistribute (0.00988s) started
T12 << 1462273412.87552810 Redistribute (0.01002s) stopped
T12 << 1462273412.96220207 Basic WFS set positions (1.91751s) stopped
T12 >> 1462273412.96222591 Basis functions set positions (37.38512s) started
T12 << 1462273414.75912309 Basis functions set positions (39.18202s) stopped
T12 >> 1462273414.75966907 TCI: Calculate S, T, P (316.68237s) started
T12 << 1462273429.73400688 TCI: Calculate S, T, P (331.65670s) stopped
T12 >> 1462273429.73406196 blocked summation (423.97479s) started
T12 << 1462273451.91504788 blocked summation (446.15578s) stopped
T12 >> 1462273451.92470288 Scalapack redistribute (159.66211s) started
T12 << 1462273461.79621601 Scalapack redistribute (169.53363s) stopped
T12 >> 1462273461.79744792 blocked summation (446.15582s) started
T12 << 1462273462.82823896 blocked summation (447.18661s) stopped
T12 >> 1462273462.83694911 Scalapack redistribute (169.53366s) started
T12 << 1462273463.08948803 Scalapack redistribute (169.78620s) stopped
T12 >> 1462273463.09161496 Redistribute (0.07805s) started
T12 << 1462273463.09214211 Redistribute (0.07857s) stopped
T12 >> 1462273464.69553494 Redistribute (0.07859s) started
T12 << 1462273464.69599295 Redistribute (0.07905s) stopped
T12 >> 1462273464.71057010 LCAO WFS Initialize (1599.29588s) started
T12 >> 1462273464.71066403 Density initialize from wavefunctions (298.20131s) started
T12 >> 1462273464.71579289 Calculate density matrix (207.77455s) started
T12 << 1462273474.55659509 Calculate density matrix (217.61535s) stopped
T12 >> 1462273474.55664611 Construct density (15.56878s) started
T12 << 1462273475.30141497 Construct density (16.31355s) stopped
T12 >> 1462273475.31576705 Symmetrize density (0.00167s) started
T12 << 1462273475.31582689 Symmetrize density (0.00173s) stopped
T12 << 1462273479.02720809 Density initialize from wavefunctions (312.51786s) stopped
T12 >> 1462273479.02744699 Hamiltonian (1300.17501s) started
T12 >> 1462273479.02746391 vbar (0.62653s) started
T12 << 1462273479.05299902 vbar (0.65207s) stopped
T12 >> 1462273479.05313993 XC 3D grid (631.12035s) started
T12 >> 1462273479.54532194 van der Waals (610.08043s) started
T12 >> 1462273479.65660095 semilocal (127.51778s) started
T12 << 1462273485.49032903 semilocal (133.35151s) stopped
T12 >> 1462273485.56453991 redistribute (72.04544s) started
T12 << 1462273486.54386401 redistribute (73.02477s) stopped
T12 >> 1462273486.54396105 libvdwxc nonlocal (406.29190s) started
T12 << 1462273505.21335411 libvdwxc nonlocal (424.96129s) stopped
T12 >> 1462273505.21342206 redistribute (73.02484s) started
T12 << 1462273508.03284907 redistribute (75.84427s) stopped
T12 << 1462273508.03400493 van der Waals (638.56911s) stopped
T12 << 1462273508.50230408 XC 3D grid (660.56952s) stopped
T12 >> 1462273508.50237012 Poisson (360.37941s) started
T12 << 1462273521.38392901 Poisson (373.26097s) stopped
T12 >> 1462273521.38398910 Hartree integrate/restrict (8.11800s) started
T12 << 1462273521.43317008 Hartree integrate/restrict (8.16718s) stopped
T12 >> 1462273521.43322897 Hartree integrate/restrict (8.16721s) started
T12 << 1462273521.74310589 Hartree integrate/restrict (8.47709s) stopped
T12 >> 1462273521.74323797 Atomic (51.78201s) started
T12 >> 1462273521.74512601 XC Correction (0.00087s) started
T12 << 1462273521.74514103 XC Correction (0.00089s) stopped
T12 << 1462273524.12844491 Atomic (54.16721s) stopped
T12 >> 1462273524.12861490 Communicate (248.11324s) started
T12 << 1462273539.41653109 Communicate (263.40115s) stopped
T12 << 1462273539.41656494 Hamiltonian (1360.56413s) stopped
T12 << 1462273539.41657996 LCAO WFS Initialize (1674.00189s) stopped
T12 << 1462273539.42873406 Initialization (2709.80811s) stopped
T12 >> 1462273539.45446396 SCF-cycle (41505.77341s) started
T12 >> 1462273539.45449710 LCAO eigensolver (20996.56001s) started
T12 >> 1462273539.45450997 Potential matrix (317.79436s) started
T12 << 1462273540.40849304 Potential matrix (318.74834s) stopped
T12 >> 1462273540.40857792 DistributedAtomicCorrection (126.16322s) started
T12 << 1462273540.80114102 DistributedAtomicCorrection (126.55578s) stopped
T12 >> 1462273540.80118704 Distribute overlap matrix (2301.05483s) started
T12 >> 1462273540.80121589 blocked summation (1295.74761s) started
T12 << 1462273545.01463509 blocked summation (1299.96103s) stopped
T12 >> 1462273545.02515006 Scalapack redistribute (1002.06149s) started
T12 << 1462273548.42601204 Scalapack redistribute (1005.46235s) stopped
T12 << 1462273548.42611289 Distribute overlap matrix (2308.67975s) stopped
T12 >> 1462273548.43042803 Blacs Orbital Layouts (17676.16730s) started
T12 >> 1462273548.43917608 General diagonalize (17605.28811s) started
T12 << 1462273603.84822798 General diagonalize (17660.69716s) stopped
T12 >> 1462273603.84827399 Redistribute coefs (2.62965s) started
T12 << 1462273603.85581493 Redistribute coefs (2.63719s) stopped
T12 >> 1462273603.85588908 Send coefs to domains (65.30315s) started
T12 << 1462273603.96383691 Send coefs to domains (65.41109s) stopped
T12 << 1462273603.96425009 Blacs Orbital Layouts (17731.70113s) stopped
T12 >> 1462273603.96427703 Calculate projections (573.76280s) started
T12 << 1462273605.73023009 Calculate projections (575.52875s) stopped
T12 << 1462273605.73043203 LCAO eigensolver (21062.83594s) stopped
T12 >> 1462273608.84182000 Density (5074.54240s) started
T12 >> 1462273608.84183598 Pseudo density (3936.03404s) started
T12 >> 1462273608.84364104 Calculate density matrix (3699.51467s) started
T12 << 1462273620.74954891 Calculate density matrix (3711.42057s) stopped
T12 >> 1462273620.74959803 Construct density (230.28963s) started
T12 << 1462273621.49539495 Construct density (231.03543s) stopped
T12 >> 1462273621.50938392 Symmetrize density (0.02610s) started
T12 << 1462273621.50945091 Symmetrize density (0.02617s) stopped
T12 << 1462273621.51147604 Pseudo density (3948.70368s) stopped
T12 >> 1462273621.51153493 Atomic density matrices (1000.89744s) started
T12 << 1462273624.90129304 Atomic density matrices (1004.28720s) stopped
T12 >> 1462273624.90132499 Multipole moments (3.19930s) started
T12 << 1462273624.91355109 Multipole moments (3.21152s) stopped
T12 >> 1462273624.91357589 Normalize (2.11179s) started
T12 << 1462273624.91974211 Normalize (2.11796s) stopped
T12 >> 1462273624.91989207 Mix (132.27632s) started
T12 << 1462273625.25425291 Mix (132.61068s) stopped
T12 << 1462273625.25430489 Density (5090.95488s) stopped
T12 >> 1462273625.25432992 Hamiltonian (14380.53683s) started
T12 >> 1462273625.25434589 vbar (8.53796s) started
T12 << 1462273625.27509689 vbar (8.55871s) stopped
T12 >> 1462273625.27519608 XC 3D grid (8781.83150s) started
T12 >> 1462273625.81634212 van der Waals (8485.52823s) started
T12 >> 1462273625.92844391 semilocal (1788.83423s) started
T12 << 1462273631.68025994 semilocal (1794.58605s) stopped
T12 >> 1462273631.75349402 redistribute (908.01957s) started
T12 << 1462273632.79837608 redistribute (909.06445s) stopped
T12 >> 1462273632.79841900 libvdwxc nonlocal (5729.46086s) started
T12 << 1462273651.26251602 libvdwxc nonlocal (5747.92496s) stopped
T12 >> 1462273651.26258111 redistribute (909.06448s) started
T12 << 1462273653.05472898 redistribute (910.85663s) stopped
T12 << 1462273653.05596089 van der Waals (8512.76784s) stopped
T12 << 1462273653.51783800 XC 3D grid (8810.07414s) stopped
T12 >> 1462273653.51787901 Poisson (1993.17824s) started
T12 << 1462273657.96946311 Poisson (1997.62982s) stopped
T12 >> 1462273657.96953392 Hartree integrate/restrict (114.17468s) started
T12 << 1462273658.02173209 Hartree integrate/restrict (114.22688s) stopped
T12 >> 1462273658.02177596 Hartree integrate/restrict (114.22691s) started
T12 << 1462273658.35628295 Hartree integrate/restrict (114.56141s) stopped
T12 >> 1462273658.35639596 Atomic (739.25886s) started
T12 >> 1462273658.35824299 XC Correction (0.01015s) started
T12 << 1462273658.35825896 XC Correction (0.01016s) stopped
T12 << 1462273660.75827098 Atomic (741.66074s) stopped
T12 >> 1462273660.75844693 Communicate (2743.41695s) started
T12 << 1462273676.19688106 Communicate (2758.85538s) stopped
T12 << 1462273676.19691610 Hamiltonian (14431.47942s) stopped
T12 >> 1462273676.19693995 LCAO eigensolver (21062.83596s) started
T12 >> 1462273676.19695306 Potential matrix (318.74839s) started
T12 << 1462273677.14382410 Potential matrix (319.69526s) stopped
T12 >> 1462273677.14389300 DistributedAtomicCorrection (126.55582s) started
T12 << 1462273677.52968597 DistributedAtomicCorrection (126.94161s) stopped
T12 >> 1462273677.52973104 Distribute overlap matrix (2308.67977s) started
T12 >> 1462273677.52975798 blocked summation (1299.96105s) started
T12 << 1462273681.82676411 blocked summation (1304.25806s) stopped
T12 >> 1462273681.83580303 Scalapack redistribute (1005.46241s) started
T12 << 1462273685.26356411 Scalapack redistribute (1008.89017s) stopped
T12 << 1462273685.26363301 Distribute overlap matrix (2316.41367s) stopped
T12 >> 1462273685.26842809 Blacs Orbital Layouts (17731.70114s) started
T12 >> 1462273685.27724910 General diagonalize (17660.69720s) started
T12 << 1462273739.48125792 General diagonalize (17714.90121s) stopped
T12 >> 1462273739.48130107 Redistribute coefs (2.63725s) started
T12 << 1462273739.48873091 Redistribute coefs (2.64468s) stopped
T12 >> 1462273739.48880792 Send coefs to domains (65.41113s) started
T12 << 1462273739.63690805 Send coefs to domains (65.55923s) stopped
T12 << 1462273739.63726091 Blacs Orbital Layouts (17786.06998s) stopped
T12 >> 1462273739.63728809 Calculate projections (575.52880s) started
T12 << 1462273741.40312290 Calculate projections (577.29464s) stopped
T12 << 1462273741.40330791 LCAO eigensolver (21128.04233s) stopped
T12 >> 1462273744.52202010 Density (5090.95489s) started
T12 >> 1462273744.52203488 Pseudo density (3948.70373s) started
T12 >> 1462273744.52394509 Calculate density matrix (3711.42061s) started
T12 << 1462273756.59307790 Calculate density matrix (3723.48974s) stopped
T12 >> 1462273756.59312606 Construct density (231.03548s) started
T12 << 1462273757.33873796 Construct density (231.78109s) stopped
T12 >> 1462273757.35247707 Symmetrize density (0.02618s) started
T12 << 1462273757.35254192 Symmetrize density (0.02625s) stopped
T12 << 1462273757.35452795 Pseudo density (3961.53622s) stopped
T12 >> 1462273757.35458708 Atomic density matrices (1004.28723s) started
T12 << 1462273760.68227410 Atomic density matrices (1007.61491s) stopped
T12 >> 1462273760.68230510 Multipole moments (3.21154s) started
T12 << 1462273760.69460511 Multipole moments (3.22384s) stopped
T12 >> 1462273760.69464207 Normalize (2.11809s) started
T12 << 1462273760.70075393 Normalize (2.12420s) stopped
T12 >> 1462273760.70083308 Mix (132.61073s) started
T12 << 1462273761.06942606 Mix (132.97932s) stopped
T12 << 1462273761.06946802 Density (5107.50234s) stopped
T12 >> 1462273761.06949210 Hamiltonian (14431.47943s) started
T12 >> 1462273761.06950593 vbar (8.55877s) started
T12 << 1462273761.09285402 vbar (8.58212s) stopped
T12 >> 1462273761.09299397 XC 3D grid (8810.07417s) started
T12 >> 1462273761.60733008 van der Waals (8512.76787s) started
T12 >> 1462273761.71821904 semilocal (1794.58615s) started
T12 << 1462273767.43418503 semilocal (1800.30212s) stopped
T12 >> 1462273767.51399207 redistribute (910.85669s) started
T12 << 1462273768.55661893 redistribute (911.89932s) stopped
T12 >> 1462273768.55666208 libvdwxc nonlocal (5747.92501s) started
T12 << 1462273786.87298107 libvdwxc nonlocal (5766.24133s) stopped
T12 >> 1462273786.87306094 redistribute (911.89935s) started
T12 << 1462273788.85038400 redistribute (913.87667s) stopped
T12 << 1462273788.85203600 van der Waals (8540.01257s) stopped
T12 << 1462273789.31565809 XC 3D grid (8838.29684s) stopped
T12 >> 1462273789.31572604 Poisson (1997.62988s) started
T12 << 1462273797.88552189 Poisson (2006.19967s) stopped
T12 >> 1462273797.88562989 Hartree integrate/restrict (114.56145s) started
T12 << 1462273797.92491508 Hartree integrate/restrict (114.60073s) stopped
T12 >> 1462273797.92503595 Hartree integrate/restrict (114.60081s) started
T12 << 1462273798.25246310 Hartree integrate/restrict (114.92824s) stopped
T12 >> 1462273798.25261807 Atomic (741.66076s) started
T12 >> 1462273798.25445509 XC Correction (0.01018s) started
T12 << 1462273798.25447011 XC Correction (0.01019s) stopped
T12 << 1462273800.67082310 Atomic (744.07897s) stopped
T12 >> 1462273800.67101312 Communicate (2758.85541s) started
T12 << 1462273816.06209302 Communicate (2774.24649s) stopped
T12 << 1462273816.06213593 Hamiltonian (14486.47207s) stopped
T12 >> 1462273816.06216311 LCAO eigensolver (21128.04235s) started
T12 >> 1462273816.06217599 Potential matrix (319.69530s) started
T12 << 1462273817.02266097 Potential matrix (320.65579s) stopped
T12 >> 1462273817.02275801 DistributedAtomicCorrection (126.94165s) started
T12 << 1462273817.43131900 DistributedAtomicCorrection (127.35021s) stopped
T12 >> 1462273817.43136692 Distribute overlap matrix (2316.41368s) started
T12 >> 1462273817.43140292 blocked summation (1304.25809s) started
T12 << 1462273821.66149497 blocked summation (1308.48819s) stopped
T12 >> 1462273821.67119789 Scalapack redistribute (1008.89020s) started
T12 << 1462273824.87417603 Scalapack redistribute (1012.09318s) stopped
T12 << 1462273824.87428689 Distribute overlap matrix (2323.85660s) stopped
T12 >> 1462273824.87877393 Blacs Orbital Layouts (17786.07000s) started
T12 >> 1462273824.88751006 General diagonalize (17714.90124s) started
T12 << 1462273876.97164392 General diagonalize (17766.98538s) stopped
T12 >> 1462273876.97169590 Redistribute coefs (2.64475s) started
T12 << 1462273876.97908306 Redistribute coefs (2.65213s) stopped
T12 >> 1462273876.97917104 Send coefs to domains (65.55926s) started
T12 << 1462273877.29361105 Send coefs to domains (65.87370s) stopped
T12 << 1462273877.29395103 Blacs Orbital Layouts (17838.48517s) stopped
T12 >> 1462273877.29398298 Calculate projections (577.29468s) started
T12 << 1462273879.07369804 Calculate projections (579.07440s) stopped
T12 << 1462273879.07391000 LCAO eigensolver (21191.05409s) stopped
T12 >> 1462273882.16702199 Density (5107.50236s) started
T12 >> 1462273882.16703796 Pseudo density (3961.53627s) started
T12 >> 1462273882.17001200 Calculate density matrix (3723.48977s) started
T12 << 1462273894.08021092 Calculate density matrix (3735.39997s) stopped
T12 >> 1462273894.08027005 Construct density (231.78114s) started
T12 << 1462273894.82603693 Construct density (232.52691s) stopped
T12 >> 1462273894.84229803 Symmetrize density (0.02627s) started
T12 << 1462273894.84237504 Symmetrize density (0.02635s) stopped
T12 << 1462273894.84483790 Pseudo density (3974.21407s) stopped
T12 >> 1462273894.84490299 Atomic density matrices (1007.61494s) started
T12 << 1462273898.16358209 Atomic density matrices (1010.93361s) stopped
T12 >> 1462273898.16361690 Multipole moments (3.22387s) started
T12 << 1462273898.17669201 Multipole moments (3.23694s) stopped
T12 >> 1462273898.17671609 Normalize (2.12427s) started
T12 << 1462273898.18351603 Normalize (2.13107s) stopped
T12 >> 1462273898.18356109 Mix (132.97936s) started
T12 << 1462273898.61160398 Mix (133.40741s) stopped
T12 << 1462273898.61165309 Density (5123.94699s) stopped
T12 >> 1462273898.61167693 Hamiltonian (14486.47209s) started
T12 >> 1462273898.61169195 vbar (8.58220s) started
T12 << 1462273898.64811206 vbar (8.61862s) stopped
T12 >> 1462273898.64829898 XC 3D grid (8838.29689s) started
T12 >> 1462273899.11478305 van der Waals (8540.01260s) started
T12 >> 1462273899.23056793 semilocal (1800.30222s) started
T12 << 1462273905.02625299 semilocal (1806.09791s) stopped
T12 >> 1462273905.10066700 redistribute (913.87673s) started
T12 << 1462273906.12204790 redistribute (914.89811s) stopped
T12 >> 1462273906.12211895 libvdwxc nonlocal (5766.24139s) started
T12 << 1462273924.46772599 libvdwxc nonlocal (5784.58699s) stopped
T12 >> 1462273924.46779609 redistribute (914.89817s) started
T12 << 1462273926.42496204 redistribute (916.85534s) stopped
T12 << 1462273926.42598891 van der Waals (8567.32381s) stopped
T12 << 1462273926.88929105 XC 3D grid (8866.53789s) stopped
T12 >> 1462273926.88934493 Poisson (2006.19975s) started
T12 << 1462273934.12987089 Poisson (2013.44028s) stopped
T12 >> 1462273934.13004494 Hartree integrate/restrict (114.92829s) started
T12 << 1462273934.17026997 Hartree integrate/restrict (114.96852s) stopped
T12 >> 1462273934.17044592 Hartree integrate/restrict (114.96863s) started
T12 << 1462273934.50976801 Hartree integrate/restrict (115.30796s) stopped
T12 >> 1462273934.50992393 Atomic (744.07899s) started
T12 >> 1462273934.51170993 XC Correction (0.01020s) started
T12 << 1462273934.51172590 XC Correction (0.01022s) stopped
T12 << 1462273936.93041992 Atomic (746.49949s) stopped
T12 >> 1462273936.93059397 Communicate (2774.24652s) started
T12 << 1462273951.70152307 Communicate (2789.01744s) stopped
T12 << 1462273951.70156193 Hamiltonian (14539.56197s) stopped
T12 >> 1462273951.70158911 LCAO eigensolver (21191.05411s) started
T12 >> 1462273951.70160198 Potential matrix (320.65584s) started
T12 << 1462273952.63947105 Potential matrix (321.59371s) stopped
T12 >> 1462273952.63956308 DistributedAtomicCorrection (127.35025s) started
T12 << 1462273953.03783703 DistributedAtomicCorrection (127.74852s) stopped
T12 >> 1462273953.03788590 Distribute overlap matrix (2323.85661s) started
T12 >> 1462273953.03792000 blocked summation (1308.48824s) started
T12 << 1462273957.16956711 blocked summation (1312.61989s) stopped
T12 >> 1462273957.17978501 Scalapack redistribute (1012.09324s) started
T12 << 1462273960.53263211 Scalapack redistribute (1015.44609s) stopped
T12 << 1462273960.53271890 Distribute overlap matrix (2331.35145s) stopped
T12 >> 1462273960.53731298 Blacs Orbital Layouts (17838.48519s) started
T12 >> 1462273960.54604697 General diagonalize (17766.98542s) started
T12 << 1462274012.56106591 General diagonalize (17819.00044s) stopped
T12 >> 1462274012.56112003 Redistribute coefs (2.65220s) started
T12 << 1462274012.56844497 Redistribute coefs (2.65953s) stopped
T12 >> 1462274012.56853390 Send coefs to domains (65.87375s) started
T12 << 1462274012.68845010 Send coefs to domains (65.99366s) stopped
T12 << 1462274012.68887997 Blacs Orbital Layouts (17890.63676s) stopped
T12 >> 1462274012.68891001 Calculate projections (579.07446s) started
T12 << 1462274014.46918297 Calculate projections (580.85473s) stopped
T12 << 1462274014.46957898 LCAO eigensolver (21253.82210s) stopped
T12 >> 1462274017.56434011 Density (5123.94700s) started
T12 >> 1462274017.56435609 Pseudo density (3974.21412s) started
T12 >> 1462274017.56666803 Calculate density matrix (3735.40001s) started
T12 << 1462274029.57979798 Calculate density matrix (3747.41314s) stopped
T12 >> 1462274029.57985806 Construct density (232.52697s) started
T12 << 1462274030.32865405 Construct density (233.27576s) stopped
T12 >> 1462274030.34501600 Symmetrize density (0.02636s) started
T12 << 1462274030.34509492 Symmetrize density (0.02644s) stopped
T12 << 1462274030.34756088 Pseudo density (3986.99733s) stopped
T12 >> 1462274030.34763002 Atomic density matrices (1010.93364s) started
T12 << 1462274033.72327209 Atomic density matrices (1014.30928s) stopped
T12 >> 1462274033.72330809 Multipole moments (3.23696s) started
T12 << 1462274033.73627901 Multipole moments (3.24993s) stopped
T12 >> 1462274033.73630404 Normalize (2.13110s) started
T12 << 1462274033.74285412 Normalize (2.13765s) stopped
T12 >> 1462274033.74289989 Mix (133.40745s) started
T12 << 1462274034.15489793 Mix (133.81945s) stopped
T12 << 1462274034.15494204 Density (5140.53760s) stopped
T12 >> 1462274034.15496993 Hamiltonian (14539.56198s) started
T12 >> 1462274034.15498495 vbar (8.61873s) started
T12 << 1462274034.18871093 vbar (8.65245s) stopped
T12 >> 1462274034.18889594 XC 3D grid (8866.53793s) started
T12 >> 1462274034.66208506 van der Waals (8567.32384s) started
T12 >> 1462274034.77540398 semilocal (1806.09804s) started
T12 << 1462274040.58472705 semilocal (1811.90736s) stopped
T12 >> 1462274040.66088104 redistribute (916.85540s) started
T12 << 1462274041.64164090 redistribute (917.83616s) stopped
T12 >> 1462274041.64169312 libvdwxc nonlocal (5784.58705s) started
T12 << 1462274059.85938692 libvdwxc nonlocal (5802.80474s) stopped
T12 >> 1462274059.85945797 redistribute (917.83620s) started
T12 << 1462274061.81380796 redistribute (919.79055s) stopped
T12 << 1462274061.81484509 van der Waals (8594.47660s) stopped
T12 << 1462274062.27504110 XC 3D grid (8894.62408s) stopped
T12 >> 1462274062.27508712 Poisson (2013.44041s) started
T12 << 1462274068.20772409 Poisson (2019.37305s) stopped
T12 >> 1462274068.20784092 Hartree integrate/restrict (115.30801s) started
T12 << 1462274068.24786997 Hartree integrate/restrict (115.34803s) stopped
T12 >> 1462274068.24802804 Hartree integrate/restrict (115.34814s) started
T12 << 1462274068.59655309 Hartree integrate/restrict (115.69667s) stopped
T12 >> 1462274068.59685993 Atomic (746.49951s) started
T12 >> 1462274068.59988594 XC Correction (0.01023s) started
T12 << 1462274068.59992290 XC Correction (0.01027s) stopped
T12 << 1462274071.01256394 Atomic (748.91522s) stopped
T12 >> 1462274071.01272988 Communicate (2789.01747s) started
T12 << 1462274084.93218088 Communicate (2802.93692s) stopped
T12 << 1462274084.93222308 Hamiltonian (14590.33924s) stopped
T12 >> 1462274084.93225098 LCAO eigensolver (21253.82212s) started
T12 >> 1462274084.93226409 Potential matrix (321.59376s) started
T12 << 1462274085.87688398 Potential matrix (322.53838s) stopped
T12 >> 1462274085.87696505 DistributedAtomicCorrection (127.74856s) started
T12 << 1462274086.27292490 DistributedAtomicCorrection (128.14452s) stopped
T12 >> 1462274086.27297497 Distribute overlap matrix (2331.35146s) started
T12 >> 1462274086.27300692 blocked summation (1312.61994s) started
T12 << 1462274090.35785103 blocked summation (1316.70479s) stopped
T12 >> 1462274090.36836910 Scalapack redistribute (1015.44613s) started
T12 << 1462274093.77100396 Scalapack redistribute (1018.84876s) stopped
T12 << 1462274093.77113104 Distribute overlap matrix (2338.84961s) stopped
T12 >> 1462274093.77572703 Blacs Orbital Layouts (17890.63678s) started
T12 >> 1462274093.78429508 General diagonalize (17819.00048s) started
T12 << 1462274148.22164202 General diagonalize (17873.43783s) stopped
T12 >> 1462274148.22169495 Redistribute coefs (2.65960s) started
T12 << 1462274148.22932696 Redistribute coefs (2.66723s) stopped
T12 >> 1462274148.22941709 Send coefs to domains (65.99370s) started
T12 << 1462274148.36033607 Send coefs to domains (66.12462s) stopped
T12 << 1462274148.36071396 Blacs Orbital Layouts (17945.22177s) stopped
T12 >> 1462274148.36074400 Calculate projections (580.85478s) started
T12 << 1462274150.14097810 Calculate projections (582.63502s) stopped
T12 << 1462274150.14136910 LCAO eigensolver (21319.03124s) stopped
T12 >> 1462274153.24338794 Density (5140.53761s) started
T12 >> 1462274153.24340391 Pseudo density (3986.99738s) started
T12 >> 1462274153.24571395 Calculate density matrix (3747.41318s) started
T12 << 1462274166.48109102 Calculate density matrix (3760.64856s) stopped
T12 >> 1462274166.48114896 Construct density (233.27582s) started
T12 << 1462274167.22827506 Construct density (234.02295s) stopped
T12 >> 1462274167.24466801 Symmetrize density (0.02646s) started
T12 << 1462274167.24474597 Symmetrize density (0.02654s) stopped
T12 << 1462274167.24721408 Pseudo density (4001.00119s) stopped
T12 >> 1462274167.24728298 Atomic density matrices (1014.30931s) started
T12 << 1462274170.64635396 Atomic density matrices (1017.70838s) stopped
T12 >> 1462274170.64638901 Multipole moments (3.24995s) started
T12 << 1462274170.65935802 Multipole moments (3.26292s) stopped
T12 >> 1462274170.65939093 Normalize (2.13768s) started
T12 << 1462274170.66617107 Normalize (2.14446s) stopped
T12 >> 1462274170.66622400 Mix (133.81949s) started
T12 << 1462274171.12792611 Mix (134.28120s) stopped
T12 << 1462274171.12798595 Density (5158.42221s) stopped
T12 >> 1462274171.12801504 Hamiltonian (14590.33925s) started
T12 >> 1462274171.12803102 vbar (8.65256s) started
T12 << 1462274171.15120411 vbar (8.67573s) stopped
T12 >> 1462274171.15128398 XC 3D grid (8894.62411s) started
T12 >> 1462274171.66058302 van der Waals (8594.47662s) started
T12 >> 1462274171.77336788 semilocal (1811.90746s) started
T12 << 1462274177.58057094 semilocal (1817.71466s) stopped
T12 >> 1462274177.65400791 redistribute (919.79062s) started
T12 << 1462274178.62222695 redistribute (920.75884s) stopped
T12 >> 1462274178.62229609 libvdwxc nonlocal (5802.80480s) started
T12 << 1462274196.76293707 libvdwxc nonlocal (5820.94544s) stopped
T12 >> 1462274196.76300693 redistribute (920.75889s) started
T12 << 1462274198.70696306 redistribute (922.70285s) stopped
T12 << 1462274198.70812106 van der Waals (8621.52416s) stopped
T12 << 1462274199.16815209 XC 3D grid (8922.64098s) stopped
T12 >> 1462274199.16820312 Poisson (2019.37313s) started
T12 << 1462274204.93122697 Poisson (2025.13615s) stopped
T12 >> 1462274204.93133092 Hartree integrate/restrict (115.69676s) started
T12 << 1462274204.96886992 Hartree integrate/restrict (115.73430s) stopped
T12 >> 1462274204.96895909 Hartree integrate/restrict (115.73436s) started
T12 << 1462274205.29797411 Hartree integrate/restrict (116.06337s) stopped
T12 >> 1462274205.29810190 Atomic (748.91524s) started
T12 >> 1462274205.30048609 XC Correction (0.01029s) started
T12 << 1462274205.30053091 XC Correction (0.01033s) stopped
T12 << 1462274207.71416998 Atomic (751.33131s) stopped
T12 >> 1462274207.71433306 Communicate (2802.93695s) started
T12 << 1462274221.31748199 Communicate (2816.54010s) stopped
T12 << 1462274221.31752491 Hamiltonian (14640.52876s) stopped
T12 >> 1462274221.31755304 LCAO eigensolver (21319.03126s) started
T12 >> 1462274221.31756592 Potential matrix (322.53842s) started
T12 << 1462274222.27370596 Potential matrix (323.49457s) stopped
T12 >> 1462274222.27378798 DistributedAtomicCorrection (128.14456s) started
T12 << 1462274222.68700504 DistributedAtomicCorrection (128.55778s) stopped
T12 >> 1462274222.68705201 Distribute overlap matrix (2338.84963s) started
T12 >> 1462274222.68708205 blocked summation (1316.70484s) started
T12 << 1462274226.85117602 blocked summation (1320.86894s) stopped
T12 >> 1462274226.86065698 Scalapack redistribute (1018.84884s) started
T12 << 1462274229.95652294 Scalapack redistribute (1021.94470s) stopped
T12 << 1462274229.95664310 Distribute overlap matrix (2346.11922s) stopped
T12 >> 1462274229.96150398 Blacs Orbital Layouts (17945.22179s) started
T12 >> 1462274229.97013092 General diagonalize (17873.43787s) started
T12 << 1462274284.31442308 General diagonalize (17927.78217s) stopped
T12 >> 1462274284.31446910 Redistribute coefs (2.66731s) started
T12 << 1462274284.32220888 Redistribute coefs (2.67505s) stopped
T12 >> 1462274284.32230306 Send coefs to domains (66.12466s) started
T12 << 1462274284.60434294 Send coefs to domains (66.40670s) stopped
T12 << 1462274284.60485005 Blacs Orbital Layouts (17999.86514s) stopped
T12 >> 1462274284.60487700 Calculate projections (582.63508s) started
T12 << 1462274286.37391090 Calculate projections (584.40411s) stopped
T12 << 1462274286.37414289 LCAO eigensolver (21384.08785s) stopped
T12 >> 1462274289.51799512 Density (5158.42223s) started
T12 >> 1462274289.51800990 Pseudo density (4001.00124s) started
T12 >> 1462274289.52036905 Calculate density matrix (3760.64860s) started
T12 << 1462274301.41687489 Calculate density matrix (3772.54510s) stopped
T12 >> 1462274301.41692305 Construct density (234.02301s) started
T12 << 1462274302.16309595 Construct density (234.76918s) stopped
T12 >> 1462274302.17749405 Symmetrize density (0.02656s) started
T12 << 1462274302.17756104 Symmetrize density (0.02662s) stopped
T12 << 1462274302.17966509 Pseudo density (4013.66290s) stopped
T12 >> 1462274302.17972302 Atomic density matrices (1017.70841s) started
T12 << 1462274305.62291408 Atomic density matrices (1021.15160s) stopped
T12 >> 1462274305.62294602 Multipole moments (3.26293s) started
T12 << 1462274305.63608694 Multipole moments (3.27607s) stopped
T12 >> 1462274305.63611794 Normalize (2.14450s) started
T12 << 1462274305.64218211 Normalize (2.15056s) stopped
T12 >> 1462274305.64228010 Mix (134.28126s) started
T12 << 1462274306.06915498 Mix (134.70813s) stopped
T12 << 1462274306.06920910 Density (5174.97344s) stopped
T12 >> 1462274306.06923509 Hamiltonian (14640.52877s) started
T12 >> 1462274306.06925011 vbar (8.67577s) started
T12 << 1462274306.09132290 vbar (8.69785s) stopped
T12 >> 1462274306.09142089 XC 3D grid (8922.64102s) started
T12 >> 1462274306.65426993 van der Waals (8621.52418s) started
T12 >> 1462274306.76404500 semilocal (1817.71474s) started
T12 << 1462274312.54674101 semilocal (1823.49744s) stopped
T12 >> 1462274312.62609196 redistribute (922.70291s) started
T12 << 1462274313.60134697 redistribute (923.67816s) stopped
T12 >> 1462274313.60139108 libvdwxc nonlocal (5820.94549s) started
T12 << 1462274332.16616106 libvdwxc nonlocal (5839.51026s) stopped
T12 >> 1462274332.16622090 redistribute (923.67820s) started
T12 << 1462274334.66948891 redistribute (926.18147s) stopped
T12 << 1462274334.67061496 van der Waals (8649.54053s) stopped
T12 << 1462274335.13164401 XC 3D grid (8951.68124s) stopped
T12 >> 1462274335.13168502 Poisson (2025.13623s) started
T12 << 1462274340.95031595 Poisson (2030.95486s) stopped
T12 >> 1462274340.95038199 Hartree integrate/restrict (116.06341s) started
T12 << 1462274340.99930501 Hartree integrate/restrict (116.11233s) stopped
T12 >> 1462274340.99940300 Hartree integrate/restrict (116.11241s) started
T12 << 1462274341.32466412 Hartree integrate/restrict (116.43767s) stopped
T12 >> 1462274341.32479906 Atomic (751.33133s) started
T12 >> 1462274341.32642698 XC Correction (0.01035s) started
T12 << 1462274341.32644200 XC Correction (0.01036s) stopped
T12 << 1462274343.75021791 Atomic (753.75675s) stopped
T12 >> 1462274343.75035095 Communicate (2816.54013s) started
T12 << 1462274357.33830309 Communicate (2830.12808s) stopped
T12 << 1462274357.33834100 Hamiltonian (14691.79788s) stopped
T12 >> 1462274357.33836603 LCAO eigensolver (21384.08787s) started
T12 >> 1462274357.33837891 Potential matrix (323.49461s) started
T12 << 1462274358.28283405 Potential matrix (324.43907s) stopped
T12 >> 1462274358.28290701 DistributedAtomicCorrection (128.55782s) started
T12 << 1462274358.70289397 DistributedAtomicCorrection (128.97780s) stopped
T12 >> 1462274358.70294094 Distribute overlap matrix (2346.11923s) started
T12 >> 1462274358.70297098 blocked summation (1320.86899s) started
T12 << 1462274362.82030702 blocked summation (1324.98633s) stopped
T12 >> 1462274362.82905102 Scalapack redistribute (1021.94477s) started
T12 << 1462274366.15927291 Scalapack redistribute (1025.27499s) stopped
T12 << 1462274366.15937495 Distribute overlap matrix (2353.57567s) stopped
T12 >> 1462274366.16384292 Blacs Orbital Layouts (17999.86516s) started
T12 >> 1462274366.17250299 General diagonalize (17927.78221s) started
T12 << 1462274421.19312906 General diagonalize (17982.80283s) stopped
T12 >> 1462274421.19320393 Redistribute coefs (2.67513s) started
T12 << 1462274421.20124102 Redistribute coefs (2.68316s) stopped
T12 >> 1462274421.20131612 Send coefs to domains (66.40673s) started
T12 << 1462274421.29962301 Send coefs to domains (66.50504s) stopped
T12 << 1462274421.30001497 Blacs Orbital Layouts (18055.00133s) stopped
T12 >> 1462274421.30004311 Calculate projections (584.40416s) started
T12 << 1462274423.06836605 Calculate projections (586.17248s) stopped
T12 << 1462274423.06854296 LCAO eigensolver (21449.81805s) stopped
T12 >> 1462274426.17811298 Density (5174.97345s) started
T12 >> 1462274426.17812800 Pseudo density (4013.66295s) started
T12 >> 1462274426.18017507 Calculate density matrix (3772.54514s) started
T12 << 1462274438.16304803 Calculate density matrix (3784.52801s) stopped
T12 >> 1462274438.16309500 Construct density (234.76923s) started
T12 << 1462274438.90876889 Construct density (235.51490s) stopped
T12 >> 1462274438.92270303 Symmetrize density (0.02664s) started
T12 << 1462274438.92276907 Symmetrize density (0.02671s) stopped
T12 << 1462274438.92486906 Pseudo density (4026.40969s) stopped
T12 >> 1462274438.92492700 Atomic density matrices (1021.15163s) started
T12 << 1462274442.28492999 Atomic density matrices (1024.51163s) stopped
T12 >> 1462274442.28496099 Multipole moments (3.27609s) started
T12 << 1462274442.29726410 Multipole moments (3.28839s) stopped
T12 >> 1462274442.29729509 Normalize (2.15064s) started
T12 << 1462274442.30348206 Normalize (2.15683s) stopped
T12 >> 1462274442.30355811 Mix (134.70818s) started
T12 << 1462274442.71728396 Mix (135.12191s) stopped
T12 << 1462274442.71733594 Density (5191.51268s) stopped
T12 >> 1462274442.71736193 Hamiltonian (14691.79789s) started
T12 >> 1462274442.71737790 vbar (8.69791s) started
T12 << 1462274442.73758888 vbar (8.71812s) stopped
T12 >> 1462274442.73768902 XC 3D grid (8951.68127s) started
T12 >> 1462274443.29019189 van der Waals (8649.54055s) started
T12 >> 1462274443.39902401 semilocal (1823.49753s) started
T12 << 1462274449.08887506 semilocal (1829.18738s) stopped
T12 >> 1462274449.16995597 redistribute (926.18152s) started
T12 << 1462274450.25564194 redistribute (927.26721s) stopped
T12 >> 1462274450.25570893 libvdwxc nonlocal (5839.51031s) started
T12 << 1462274468.96640801 libvdwxc nonlocal (5858.22101s) stopped
T12 >> 1462274468.96647191 redistribute (927.26726s) started
T12 << 1462274470.86284399 redistribute (929.16363s) stopped
T12 << 1462274470.86394691 van der Waals (8677.11431s) stopped
T12 << 1462274471.32858896 XC 3D grid (8980.27217s) stopped
T12 >> 1462274471.32862902 Poisson (2030.95491s) started
T12 << 1462274475.76088905 Poisson (2035.38717s) stopped
T12 >> 1462274475.76102090 Hartree integrate/restrict (116.43771s) started
T12 << 1462274475.80237603 Hartree integrate/restrict (116.47907s) stopped
T12 >> 1462274475.80245996 Hartree integrate/restrict (116.47913s) started
T12 << 1462274476.13526511 Hartree integrate/restrict (116.81193s) stopped
T12 >> 1462274476.13540196 Atomic (753.75678s) started
T12 >> 1462274476.13703704 XC Correction (0.01037s) started
T12 << 1462274476.13705111 XC Correction (0.01039s) stopped
T12 << 1462274478.54874897 Atomic (756.17012s) stopped
T12 >> 1462274478.54887199 Communicate (2830.12811s) started
T12 << 1462274492.17886305 Communicate (2843.75810s) stopped
T12 << 1462274492.17889810 Hamiltonian (14741.25943s) stopped
T12 >> 1462274492.17892194 LCAO eigensolver (21449.81806s) started
T12 >> 1462274492.17893505 Potential matrix (324.43911s) started
T12 << 1462274493.13429999 Potential matrix (325.39447s) stopped
T12 >> 1462274493.13437009 DistributedAtomicCorrection (128.97784s) started
T12 << 1462274493.55067897 DistributedAtomicCorrection (129.39415s) stopped
T12 >> 1462274493.55072594 Distribute overlap matrix (2353.57568s) started
T12 >> 1462274493.55075407 blocked summation (1324.98636s) started
T12 << 1462274497.63862705 blocked summation (1329.07423s) stopped
T12 >> 1462274497.64772391 Scalapack redistribute (1025.27505s) started
T12 << 1462274500.78309488 Scalapack redistribute (1028.41042s) stopped
T12 << 1462274500.78319597 Distribute overlap matrix (2360.80815s) stopped
T12 >> 1462274500.78736591 Blacs Orbital Layouts (18055.00135s) started
T12 >> 1462274500.79607296 General diagonalize (17982.80289s) started
T12 << 1462274555.13060308 General diagonalize (18037.13742s) stopped
T12 >> 1462274555.13065004 Redistribute coefs (2.68323s) started
T12 << 1462274555.13812995 Redistribute coefs (2.69071s) stopped
T12 >> 1462274555.13820601 Send coefs to domains (66.50507s) started
T12 << 1462274555.62738705 Send coefs to domains (66.99425s) stopped
T12 << 1462274555.62774301 Blacs Orbital Layouts (18109.84172s) stopped
T12 >> 1462274555.62777090 Calculate projections (586.17253s) started
T12 << 1462274557.39602399 Calculate projections (587.94078s) stopped
T12 << 1462274557.39620709 LCAO eigensolver (21515.03535s) stopped
T12 >> 1462274560.50502706 Density (5191.51269s) started
T12 >> 1462274560.50504208 Pseudo density (4026.40973s) started
T12 >> 1462274560.50704694 Calculate density matrix (3784.52805s) started
T12 << 1462274572.48431897 Calculate density matrix (3796.50532s) stopped
T12 >> 1462274572.48436689 Construct density (235.51496s) started
T12 << 1462274573.22788000 Construct density (236.25847s) stopped
T12 >> 1462274573.24201393 Symmetrize density (0.02672s) started
T12 << 1462274573.24207807 Symmetrize density (0.02679s) stopped
T12 << 1462274573.24415898 Pseudo density (4039.14885s) stopped
T12 >> 1462274573.24421597 Atomic density matrices (1024.51165s) started
T12 << 1462274576.67348099 Atomic density matrices (1027.94092s) stopped
T12 >> 1462274576.67351198 Multipole moments (3.28841s) started
T12 << 1462274576.68643403 Multipole moments (3.30133s) stopped
T12 >> 1462274576.68646407 Normalize (2.15689s) started
T12 << 1462274576.69259810 Normalize (2.16303s) stopped
T12 >> 1462274576.69268990 Mix (135.12196s) started
T12 << 1462274577.12648511 Mix (135.55576s) stopped
T12 << 1462274577.12652111 Density (5208.13419s) stopped
T12 >> 1462274577.12654901 Hamiltonian (14741.25944s) started
T12 >> 1462274577.12656593 vbar (8.71817s) started
T12 << 1462274577.15111208 vbar (8.74272s) stopped
T12 >> 1462274577.15120697 XC 3D grid (8980.27220s) started
T12 >> 1462274577.66661406 van der Waals (8677.11433s) started
T12 >> 1462274577.77760601 semilocal (1829.18746s) started
T12 << 1462274583.61944389 semilocal (1835.02930s) stopped
T12 >> 1462274583.70124292 redistribute (929.16369s) started
T12 << 1462274584.65549397 redistribute (930.11794s) stopped
T12 >> 1462274584.65553808 libvdwxc nonlocal (5858.22106s) started
T12 << 1462274603.12514091 libvdwxc nonlocal (5876.69066s) stopped
T12 >> 1462274603.12520599 redistribute (930.11798s) started
T12 << 1462274604.95113111 redistribute (931.94390s) stopped
T12 << 1462274604.95233202 van der Waals (8704.40005s) stopped
T12 << 1462274605.41554689 XC 3D grid (9008.53654s) stopped
T12 >> 1462274605.41560698 Poisson (2035.38727s) started
T12 << 1462274609.85922194 Poisson (2039.83089s) stopped
T12 >> 1462274609.85935903 Hartree integrate/restrict (116.81198s) started
T12 << 1462274609.90556002 Hartree integrate/restrict (116.85818s) stopped
T12 >> 1462274609.90566301 Hartree integrate/restrict (116.85826s) started
T12 << 1462274610.28937101 Hartree integrate/restrict (117.24196s) stopped
T12 >> 1462274610.28949904 Atomic (756.17014s) started
T12 >> 1462274610.29114008 XC Correction (0.01040s) started
T12 << 1462274610.29115510 XC Correction (0.01041s) stopped
T12 << 1462274612.64792705 Atomic (758.52857s) stopped
T12 >> 1462274612.64804697 Communicate (2843.75812s) started
T12 << 1462274626.23328710 Communicate (2857.34336s) stopped
T12 << 1462274626.23332500 Hamiltonian (14790.36622s) stopped
T12 >> 1462274626.23335195 LCAO eigensolver (21515.03537s) started
T12 >> 1462274626.23336601 Potential matrix (325.39452s) started
T12 << 1462274627.18645906 Potential matrix (326.34761s) stopped
T12 >> 1462274627.18653989 DistributedAtomicCorrection (129.39419s) started
T12 << 1462274627.60501409 DistributedAtomicCorrection (129.81266s) stopped
T12 >> 1462274627.60506392 Distribute overlap matrix (2360.80816s) started
T12 >> 1462274627.60509610 blocked summation (1329.07428s) started
T12 << 1462274631.77438307 blocked summation (1333.24357s) stopped
T12 >> 1462274631.78337002 Scalapack redistribute (1028.41048s) started
T12 << 1462274635.05756903 Scalapack redistribute (1031.68468s) stopped
T12 << 1462274635.05768991 Distribute overlap matrix (2368.26079s) stopped
T12 >> 1462274635.06236005 Blacs Orbital Layouts (18109.84174s) started
T12 >> 1462274635.07118797 General diagonalize (18037.13746s) started
T12 << 1462274686.79931211 General diagonalize (18088.86559s) stopped
T12 >> 1462274686.79935789 Redistribute coefs (2.69077s) started
T12 << 1462274686.80702305 Redistribute coefs (2.69843s) stopped
T12 >> 1462274686.80709696 Send coefs to domains (66.99428s) started
T12 << 1462274686.96297789 Send coefs to domains (67.15017s) stopped
T12 << 1462274686.96354508 Blacs Orbital Layouts (18161.74293s) stopped
T12 >> 1462274686.96357298 Calculate projections (587.94083s) started
T12 << 1462274688.73749089 Calculate projections (589.71475s) stopped
T12 << 1462274688.73770905 LCAO eigensolver (21577.53972s) stopped
T12 >> 1462274691.84163690 Density (5208.13420s) started
T12 >> 1462274691.84165311 Pseudo density (4039.14890s) started
T12 >> 1462274691.84372997 Calculate density matrix (3796.50536s) started
T12 << 1462274703.80369496 Calculate density matrix (3808.46532s) stopped
T12 >> 1462274703.80374289 Construct density (236.25852s) started
T12 << 1462274704.54812098 Construct density (237.00290s) stopped
T12 >> 1462274704.56223202 Symmetrize density (0.02680s) started
T12 << 1462274704.56229711 Symmetrize density (0.02687s) stopped
T12 << 1462274704.56439400 Pseudo density (4051.87164s) stopped
T12 >> 1462274704.56445193 Atomic density matrices (1027.94094s) started
T12 << 1462274707.95008802 Atomic density matrices (1031.32658s) stopped
T12 >> 1462274707.95011902 Multipole moments (3.30134s) started
T12 << 1462274707.96246696 Multipole moments (3.31369s) stopped
T12 >> 1462274707.96249700 Normalize (2.16310s) started
T12 << 1462274707.96859288 Normalize (2.16920s) stopped
T12 >> 1462274707.96867990 Mix (135.55579s) started
T12 << 1462274708.39286399 Mix (135.97998s) stopped
T12 << 1462274708.39289808 Density (5224.68546s) stopped
T12 >> 1462274708.39292192 Hamiltonian (14790.36623s) started
T12 >> 1462274708.39293694 vbar (8.74277s) started
T12 << 1462274708.41990495 vbar (8.76974s) stopped
T12 >> 1462274708.42007303 XC 3D grid (9008.53659s) started
T12 >> 1462274708.91290808 van der Waals (8704.40007s) started
T12 >> 1462274709.02507710 semilocal (1835.02941s) started
T12 << 1462274714.85158992 semilocal (1840.85593s) stopped
T12 >> 1462274714.92479610 redistribute (931.94396s) started
T12 << 1462274715.86067295 redistribute (932.87984s) stopped
T12 >> 1462274715.86071396 libvdwxc nonlocal (5876.69071s) started
T12 << 1462274734.27899504 libvdwxc nonlocal (5895.10899s) stopped
T12 >> 1462274734.27905703 redistribute (932.87987s) started
T12 << 1462274736.06051111 redistribute (934.66132s) stopped
T12 << 1462274736.06153989 van der Waals (8731.54871s) stopped
T12 << 1462274736.51735711 XC 3D grid (9036.63388s) stopped
T12 >> 1462274736.51741290 Poisson (2039.83100s) started
T12 << 1462274740.96620989 Poisson (2044.27980s) stopped
T12 >> 1462274740.96631408 Hartree integrate/restrict (117.24201s) started
T12 << 1462274741.01115799 Hartree integrate/restrict (117.28685s) stopped
T12 >> 1462274741.01120400 Hartree integrate/restrict (117.28688s) started
T12 << 1462274741.43625498 Hartree integrate/restrict (117.71193s) stopped
T12 >> 1462274741.43638802 Atomic (758.52860s) started
T12 >> 1462274741.43828607 XC Correction (0.01042s) started
T12 << 1462274741.43832207 XC Correction (0.01046s) stopped
T12 << 1462274743.84596109 Atomic (760.93817s) stopped
T12 >> 1462274743.84605598 Communicate (2857.34339s) started
T12 << 1462274757.40805602 Communicate (2870.90539s) stopped
T12 << 1462274757.40809011 Hamiltonian (14839.38140s) stopped
T12 >> 1462274757.40811491 LCAO eigensolver (21577.53974s) started
T12 >> 1462274757.40812707 Potential matrix (326.34765s) started
T12 << 1462274758.36126399 Potential matrix (327.30079s) stopped
T12 >> 1462274758.36133504 DistributedAtomicCorrection (129.81271s) started
T12 << 1462274758.77982306 DistributedAtomicCorrection (130.23119s) stopped
T12 >> 1462274758.77987003 Distribute overlap matrix (2368.26080s) started
T12 >> 1462274758.77989697 blocked summation (1333.24361s) started
T12 << 1462274762.97236300 blocked summation (1337.43607s) stopped
T12 >> 1462274762.98128796 Scalapack redistribute (1031.68475s) started
T12 << 1462274766.20820808 Scalapack redistribute (1034.91167s) stopped
T12 << 1462274766.20832396 Distribute overlap matrix (2375.68926s) stopped
T12 >> 1462274766.21331406 Blacs Orbital Layouts (18161.74295s) started
T12 >> 1462274766.22197104 General diagonalize (18088.86563s) started
T12 << 1462274820.66782093 General diagonalize (18143.31148s) stopped
T12 >> 1462274820.66787410 Redistribute coefs (2.69849s) started
T12 << 1462274820.67591000 Redistribute coefs (2.70653s) stopped
T12 >> 1462274820.67600298 Send coefs to domains (67.15020s) started
T12 << 1462274820.82760000 Send coefs to domains (67.30180s) stopped
T12 << 1462274820.82803297 Blacs Orbital Layouts (18216.35767s) stopped
T12 >> 1462274820.82806301 Calculate projections (589.71479s) started
T12 << 1462274822.61144209 Calculate projections (591.49817s) stopped
T12 << 1462274822.61168790 LCAO eigensolver (21642.74332s) stopped
T12 >> 1462274825.70712304 Density (5224.68547s) started
T12 >> 1462274825.70713902 Pseudo density (4051.87168s) started
T12 >> 1462274825.71016502 Calculate density matrix (3808.46535s) started
T12 << 1462274837.88597703 Calculate density matrix (3820.64117s) stopped
T12 >> 1462274837.88603401 Construct density (237.00295s) started
T12 << 1462274838.63396192 Construct density (237.75088s) stopped
T12 >> 1462274838.65051603 Symmetrize density (0.02689s) started
T12 << 1462274838.65059495 Symmetrize density (0.02696s) stopped
T12 << 1462274838.65306592 Pseudo density (4064.81761s) stopped
T12 >> 1462274838.65313506 Atomic density matrices (1031.32660s) started
T12 << 1462274842.00242496 Atomic density matrices (1034.67589s) stopped
T12 >> 1462274842.00246191 Multipole moments (3.31371s) started
T12 << 1462274842.01481390 Multipole moments (3.32606s) stopped
T12 >> 1462274842.01484704 Normalize (2.16927s) started
T12 << 1462274842.02155590 Normalize (2.17598s) stopped
T12 >> 1462274842.02160692 Mix (135.98001s) started
T12 << 1462274842.49682093 Mix (136.45522s) stopped
T12 << 1462274842.49685693 Density (5241.47520s) stopped
T12 >> 1462274842.49688601 Hamiltonian (14839.38141s) started
T12 >> 1462274842.49690390 vbar (8.76984s) started
T12 << 1462274842.53155398 vbar (8.80449s) stopped
T12 >> 1462274842.53169203 XC 3D grid (9036.63392s) started
T12 >> 1462274842.99687099 van der Waals (8731.54873s) started
T12 >> 1462274843.11113906 semilocal (1840.85601s) started
T12 << 1462274848.87930489 semilocal (1846.62418s) stopped
T12 >> 1462274848.95335507 redistribute (934.66138s) started
T12 << 1462274850.01309991 redistribute (935.72112s) stopped
T12 >> 1462274850.01315093 libvdwxc nonlocal (5895.10904s) started
T12 << 1462274868.24607396 libvdwxc nonlocal (5913.34196s) stopped
T12 >> 1462274868.24613810 redistribute (935.72117s) started
T12 << 1462274870.22243500 redistribute (937.69746s) stopped
T12 << 1462274870.22365594 van der Waals (8758.77552s) stopped
T12 << 1462274870.69229388 XC 3D grid (9064.79453s) stopped
T12 >> 1462274870.69234109 Poisson (2044.27987s) started
T12 << 1462274875.04276609 Poisson (2048.63030s) stopped
T12 >> 1462274875.04288411 Hartree integrate/restrict (117.71197s) started
T12 << 1462274875.08105302 Hartree integrate/restrict (117.75014s) stopped
T12 >> 1462274875.08113289 Hartree integrate/restrict (117.75019s) started
T12 << 1462274875.41900992 Hartree integrate/restrict (118.08807s) stopped
T12 >> 1462274875.41913390 Atomic (760.93819s) started
T12 >> 1462274875.42113590 XC Correction (0.01047s) started
T12 << 1462274875.42117810 XC Correction (0.01052s) stopped
T12 << 1462274877.83340812 Atomic (763.35247s) stopped
T12 >> 1462274877.83349991 Communicate (2870.90541s) started
T12 << 1462274891.38449788 Communicate (2884.45641s) stopped
T12 << 1462274891.38453889 Hamiltonian (14888.26906s) stopped
T12 >> 1462274891.38456607 LCAO eigensolver (21642.74333s) started
T12 >> 1462274891.38457990 Potential matrix (327.30083s) started
T12 << 1462274892.32635903 Potential matrix (328.24261s) stopped
T12 >> 1462274892.32645512 DistributedAtomicCorrection (130.23123s) started
T12 << 1462274892.75187612 DistributedAtomicCorrection (130.65665s) stopped
T12 >> 1462274892.75192499 Distribute overlap matrix (2375.68927s) started
T12 >> 1462274892.75196004 blocked summation (1337.43612s) started
T12 << 1462274896.92979789 blocked summation (1341.61396s) stopped
T12 >> 1462274896.93947792 Scalapack redistribute (1034.91173s) started
T12 << 1462274900.02731490 Scalapack redistribute (1037.99957s) stopped
T12 << 1462274900.02743697 Distribute overlap matrix (2382.96478s) stopped
T12 >> 1462274900.03180909 Blacs Orbital Layouts (18216.35769s) started
T12 >> 1462274900.04034495 General diagonalize (18143.31152s) started
T12 << 1462274954.21227503 General diagonalize (18197.48345s) stopped
T12 >> 1462274954.21232700 Redistribute coefs (2.70660s) started
T12 << 1462274954.21999407 Redistribute coefs (2.71427s) stopped
T12 >> 1462274954.22008204 Send coefs to domains (67.30183s) started
T12 << 1462274954.75885010 Send coefs to domains (67.84060s) stopped
T12 << 1462274954.75937390 Blacs Orbital Layouts (18271.08526s) stopped
T12 >> 1462274954.75940394 Calculate projections (591.49823s) started
T12 << 1462274956.52753711 Calculate projections (593.26637s) stopped
T12 << 1462274956.52802205 LCAO eigensolver (21707.88679s) stopped
T12 >> 1462274959.66019011 Density (5241.47522s) started
T12 >> 1462274959.66020608 Pseudo density (4064.81767s) started
T12 >> 1462274959.66227007 Calculate density matrix (3820.64120s) started
T12 << 1462274971.65920496 Calculate density matrix (3832.63814s) stopped
T12 >> 1462274971.65925407 Construct density (237.75094s) started
T12 << 1462274972.40471697 Construct density (238.49640s) stopped
T12 >> 1462274972.41906500 Symmetrize density (0.02698s) started
T12 << 1462274972.41912889 Symmetrize density (0.02705s) stopped
T12 << 1462274972.42121792 Pseudo density (4077.57868s) stopped
T12 >> 1462274972.42127609 Atomic density matrices (1034.67592s) started
T12 << 1462274975.73195910 Atomic density matrices (1037.98661s) stopped
T12 >> 1462274975.73199105 Multipole moments (3.32608s) started
T12 << 1462274975.74496698 Multipole moments (3.33905s) stopped
T12 >> 1462274975.74499702 Normalize (2.17601s) started
T12 << 1462274975.75108504 Normalize (2.18210s) stopped
T12 >> 1462274975.75118804 Mix (136.45526s) started
T12 << 1462274976.21938300 Mix (136.92345s) stopped
T12 << 1462274976.21943092 Density (5258.03446s) stopped
T12 >> 1462274976.21945691 Hamiltonian (14888.26907s) started
T12 >> 1462274976.21947098 vbar (8.80457s) started
T12 << 1462274976.24256802 vbar (8.82767s) stopped
T12 >> 1462274976.24266195 XC 3D grid (9064.79456s) started
T12 >> 1462274976.73518300 van der Waals (8758.77555s) started
T12 >> 1462274976.84646511 semilocal (1846.62427s) started
T12 << 1462274982.56541896 semilocal (1852.34322s) stopped
T12 >> 1462274982.64337611 redistribute (937.69753s) started
T12 << 1462274983.70989394 redistribute (938.76404s) stopped
T12 >> 1462274983.70995998 libvdwxc nonlocal (5913.34201s) started
T12 << 1462275002.16798091 libvdwxc nonlocal (5931.80003s) stopped
T12 >> 1462275002.16804504 redistribute (938.76410s) started
T12 << 1462275004.94093609 redistribute (941.53699s) stopped
T12 << 1462275004.94204807 van der Waals (8786.98241s) stopped
T12 << 1462275005.40969896 XC 3D grid (9093.96160s) stopped
T12 >> 1462275005.40973806 Poisson (2048.63039s) started
T12 << 1462275009.76961708 Poisson (2052.99027s) stopped
T12 >> 1462275009.76969194 Hartree integrate/restrict (118.08811s) started
T12 << 1462275009.81361008 Hartree integrate/restrict (118.13203s) stopped
T12 >> 1462275009.81366205 Hartree integrate/restrict (118.13206s) started
T12 << 1462275010.12767601 Hartree integrate/restrict (118.44607s) stopped
T12 >> 1462275010.12781596 Atomic (763.35249s) started
T12 >> 1462275010.12939811 XC Correction (0.01053s) started
T12 << 1462275010.12941194 XC Correction (0.01055s) stopped
T12 << 1462275012.54990602 Atomic (765.77458s) stopped
T12 >> 1462275012.54999208 Communicate (2884.45644s) started
T12 << 1462275025.98704791 Communicate (2897.89349s) stopped
T12 << 1462275025.98708606 Hamiltonian (14938.03670s) stopped
T12 >> 1462275025.98711205 LCAO eigensolver (21707.88681s) started
T12 >> 1462275025.98712492 Potential matrix (328.24266s) started
T12 << 1462275026.94008398 Potential matrix (329.19562s) stopped
T12 >> 1462275026.94015408 DistributedAtomicCorrection (130.65669s) started
T12 << 1462275027.36442304 DistributedAtomicCorrection (131.08096s) stopped
T12 >> 1462275027.36447001 Distribute overlap matrix (2382.96480s) started
T12 >> 1462275027.36450100 blocked summation (1341.61402s) started
T12 << 1462275031.53745389 blocked summation (1345.78697s) stopped
T12 >> 1462275031.54786897 Scalapack redistribute (1037.99964s) started
T12 << 1462275034.79777789 Scalapack redistribute (1041.24955s) stopped
T12 << 1462275034.79787803 Distribute overlap matrix (2390.39820s) stopped
T12 >> 1462275034.80205607 Blacs Orbital Layouts (18271.08528s) started
T12 >> 1462275034.81073904 General diagonalize (18197.48349s) started
T12 << 1462275088.98467708 General diagonalize (18251.65743s) stopped
T12 >> 1462275088.98471999 Redistribute coefs (2.71434s) started
T12 << 1462275088.99229407 Redistribute coefs (2.72191s) stopped
T12 >> 1462275088.99236894 Send coefs to domains (67.84064s) started
T12 << 1462275089.10410309 Send coefs to domains (67.95238s) stopped
T12 << 1462275089.10443306 Blacs Orbital Layouts (18325.38765s) stopped
T12 >> 1462275089.10446095 Calculate projections (593.26642s) started
T12 << 1462275090.87208700 Calculate projections (595.03404s) stopped
T12 << 1462275090.87241697 LCAO eigensolver (21772.77212s) stopped
T12 >> 1462275093.98250008 Density (5258.03447s) started
T12 >> 1462275093.98251510 Pseudo density (4077.57872s) started
T12 >> 1462275093.98465896 Calculate density matrix (3832.63817s) started
T12 << 1462275105.99610996 Calculate density matrix (3844.64963s) stopped
T12 >> 1462275105.99616003 Construct density (238.49645s) started
T12 << 1462275106.74004412 Construct density (239.24034s) stopped
T12 >> 1462275106.75412607 Symmetrize density (0.02706s) started
T12 << 1462275106.75418997 Symmetrize density (0.02713s) stopped
T12 << 1462275106.75628304 Pseudo density (4090.35249s) stopped
T12 >> 1462275106.75634193 Atomic density matrices (1037.98663s) started
T12 << 1462275110.11687493 Atomic density matrices (1041.34716s) stopped
T12 >> 1462275110.11690688 Multipole moments (3.33907s) started
T12 << 1462275110.12925911 Multipole moments (3.35142s) stopped
T12 >> 1462275110.12928891 Normalize (2.18219s) started
T12 << 1462275110.13547111 Normalize (2.18837s) stopped
T12 >> 1462275110.13557291 Mix (136.92350s) started
T12 << 1462275110.56615591 Mix (137.35408s) stopped
T12 << 1462275110.56621003 Density (5274.61818s) stopped
T12 >> 1462275110.56623697 Hamiltonian (14938.03672s) started
T12 >> 1462275110.56625199 vbar (8.82772s) started
T12 << 1462275110.58843899 vbar (8.84991s) stopped
T12 >> 1462275110.58856606 XC 3D grid (9093.96163s) started
T12 >> 1462275111.07991004 van der Waals (8786.98244s) started
T12 >> 1462275111.19199300 semilocal (1852.34329s) started
T12 << 1462275116.89616990 semilocal (1858.04747s) stopped
T12 >> 1462275116.97592306 redistribute (941.53705s) started
T12 << 1462275118.02884507 redistribute (942.58997s) stopped
T12 >> 1462275118.02888894 libvdwxc nonlocal (5931.80008s) started
T12 << 1462275136.58185792 libvdwxc nonlocal (5950.35305s) stopped
T12 >> 1462275136.58191490 redistribute (942.59001s) started
T12 << 1462275139.36186099 redistribute (945.36995s) stopped
T12 << 1462275139.36295509 van der Waals (8815.26548s) stopped
T12 << 1462275139.83650088 XC 3D grid (9123.20956s) stopped
T12 >> 1462275139.83654308 Poisson (2052.99032s) started
T12 << 1462275144.20796800 Poisson (2057.36175s) stopped
T12 >> 1462275144.20802593 Hartree integrate/restrict (118.44612s) started
T12 << 1462275144.25672889 Hartree integrate/restrict (118.49482s) stopped
T12 >> 1462275144.25678301 Hartree integrate/restrict (118.49486s) started
T12 << 1462275144.57948208 Hartree integrate/restrict (118.81756s) stopped
T12 >> 1462275144.57958698 Atomic (765.77460s) started
T12 >> 1462275144.58114100 XC Correction (0.01056s) started
T12 << 1462275144.58115506 XC Correction (0.01057s) stopped
T12 << 1462275146.99337101 Atomic (768.18839s) stopped
T12 >> 1462275146.99345708 Communicate (2897.89352s) started
T12 << 1462275160.40243006 Communicate (2911.30249s) stopped
T12 << 1462275160.40246797 Hamiltonian (14987.87295s) stopped
T12 >> 1462275160.40249395 LCAO eigensolver (21772.77213s) started
T12 >> 1462275160.40250707 Potential matrix (329.19566s) started
T12 << 1462275161.36083102 Potential matrix (330.15399s) stopped
T12 >> 1462275161.36091900 DistributedAtomicCorrection (131.08100s) started
T12 << 1462275161.78325510 DistributedAtomicCorrection (131.50334s) stopped
T12 >> 1462275161.78330207 Distribute overlap matrix (2390.39822s) started
T12 >> 1462275161.78333211 blocked summation (1345.78700s) started
T12 << 1462275165.95000291 blocked summation (1349.95368s) stopped
T12 >> 1462275165.96039200 Scalapack redistribute (1041.24961s) started
T12 << 1462275169.23821712 Scalapack redistribute (1044.52743s) stopped
T12 << 1462275169.23832107 Distribute overlap matrix (2397.85323s) stopped
T12 >> 1462275169.24288392 Blacs Orbital Layouts (18325.38767s) started
T12 >> 1462275169.25206590 General diagonalize (18251.65746s) started
T12 << 1462275223.34283495 General diagonalize (18305.74823s) stopped
T12 >> 1462275223.34288311 Redistribute coefs (2.72197s) started
T12 << 1462275223.35014892 Redistribute coefs (2.72924s) stopped
T12 >> 1462275223.35023093 Send coefs to domains (67.95241s) started
T12 << 1462275223.47703195 Send coefs to domains (68.07921s) stopped
T12 << 1462275223.47738910 Blacs Orbital Layouts (18379.62218s) stopped
T12 >> 1462275223.47741699 Calculate projections (595.03409s) started
T12 << 1462275225.24555707 Calculate projections (596.80223s) stopped
T12 << 1462275225.24590492 LCAO eigensolver (21837.61555s) stopped
T12 << 1462275228.35538411 SCF-cycle (43194.67433s) stopped
T12 >> 1462275230.54541612 Force calculation (1649.81409s) started
T12 >> 1462275230.54549003 LCAO forces (1631.68862s) started
T12 >> 1462275230.54585099 Initial (0.00049s) started
T12 << 1462275230.54586291 Initial (0.00050s) stopped
T12 >> 1462275230.55236506 Get density matrix (861.86194s) started
T12 << 1462275239.68793106 Get density matrix (870.99751s) stopped
T12 >> 1462275239.68797302 Potential (130.48155s) started
T12 << 1462275245.69132304 Potential (136.48490s) stopped
T12 >> 1462275245.69138002 Get density matrix (870.99754s) started
T12 << 1462275276.59367704 Get density matrix (901.89984s) stopped
T12 >> 1462275276.59373403 Prepare TCI loop (45.51531s) started
T12 >> 1462275276.59423399 Get neighbors (41.32145s) started
T12 << 1462275278.49454308 Get neighbors (43.22176s) stopped
T12 >> 1462275278.49479508 broadcast dH (4.16970s) started
T12 << 1462275278.69927812 broadcast dH (4.37418s) stopped
T12 << 1462275278.69932103 Prepare TCI loop (47.62090s) stopped
T12 >> 1462275278.69934106 Not so complicated loop (2.54036s) started
T12 << 1462275278.81326699 Not so complicated loop (2.65429s) stopped
T12 >> 1462275278.92465496 Complicated loop (385.63624s) started
T12 << 1462275297.33028412 Complicated loop (404.04187s) stopped
T12 >> 1462275297.33200312 Wait for sum (202.99936s) started
T12 << 1462275306.88050604 Wait for sum (212.54786s) stopped
T12 << 1462275306.88056493 LCAO forces (1708.02370s) stopped
T12 << 1462275307.68595004 Force calculation (1726.95463s) stopped
T12 >> 1462275307.70376897 Initialization (2709.80812s) started
T12 << 1462275307.70393705 Initialization (2709.80829s) stopped
T12 >> 1462275307.70414710 Initialization (2709.80831s) started
T12 << 1462275307.70427799 Initialization (2709.80844s) stopped
T12 >> 1462275307.70441198 Initialization (2709.80845s) started
T12 << 1462275307.70454001 Initialization (2709.80858s) stopped
T12 >> 1462275327.96856403 Initialization (2709.80860s) started
T12 >> 1462275328.16983700 Basic WFS set positions (1.91753s) started
T12 >> 1462275328.16986108 Redistribute (0.01003s) started
T12 << 1462275328.16999006 Redistribute (0.01016s) stopped
T12 << 1462275328.25675797 Basic WFS set positions (2.00445s) stopped
T12 >> 1462275328.25678301 Basis functions set positions (39.18206s) started
T12 << 1462275330.06726789 Basis functions set positions (40.99254s) stopped
T12 >> 1462275330.06781602 TCI: Calculate S, T, P (331.65674s) started
T12 << 1462275344.96780396 TCI: Calculate S, T, P (346.55673s) stopped
T12 >> 1462275344.96785998 blocked summation (447.18665s) started
T12 << 1462275368.09024405 blocked summation (470.30903s) stopped
T12 >> 1462275368.10037303 Scalapack redistribute (169.78626s) started
T12 << 1462275377.78535295 Scalapack redistribute (179.47124s) stopped
T12 >> 1462275377.78622508 blocked summation (470.30907s) started
T12 << 1462275378.93044901 blocked summation (471.45329s) stopped
T12 >> 1462275378.93943310 Scalapack redistribute (179.47129s) started
T12 << 1462275379.13498998 Scalapack redistribute (179.66685s) stopped
T12 >> 1462275379.13665795 Redistribute (0.07907s) started
T12 << 1462275379.13717794 Redistribute (0.07959s) stopped
T12 >> 1462275380.82352304 Redistribute (0.07960s) started
T12 << 1462275380.82398701 Redistribute (0.08007s) stopped
T12 >> 1462275380.83853698 LCAO WFS Initialize (1674.00191s) started
T12 >> 1462275380.83863211 Density initialize from wavefunctions (312.51790s) started
T12 >> 1462275380.84447598 Calculate density matrix (217.61539s) started
T12 << 1462275390.70409799 Calculate density matrix (227.47501s) stopped
T12 >> 1462275390.70414710 Construct density (16.31361s) started
T12 << 1462275391.47542810 Construct density (17.08489s) stopped
T12 >> 1462275391.49096894 Symmetrize density (0.00175s) started
T12 << 1462275391.49102497 Symmetrize density (0.00180s) stopped
T12 << 1462275395.13875699 Density initialize from wavefunctions (326.81802s) stopped
T12 >> 1462275395.13899493 Hamiltonian (1360.56414s) started
T12 >> 1462275395.13901210 vbar (0.65215s) started
T12 << 1462275395.17277288 vbar (0.68591s) stopped
T12 >> 1462275395.17288995 XC 3D grid (660.56957s) started
T12 >> 1462275395.64502192 van der Waals (638.56913s) started
T12 >> 1462275395.75582695 semilocal (133.35160s) started
T12 << 1462275401.54612803 semilocal (139.14190s) stopped
T12 >> 1462275401.62212610 redistribute (75.84432s) started
T12 << 1462275402.64960909 redistribute (76.87181s) stopped
T12 >> 1462275402.64966106 libvdwxc nonlocal (424.96134s) started
T12 << 1462275421.51418996 libvdwxc nonlocal (443.82587s) stopped
T12 >> 1462275421.51425099 redistribute (76.87184s) started
T12 << 1462275423.97805810 redistribute (79.33565s) stopped
T12 << 1462275423.97917604 van der Waals (666.90329s) stopped
T12 << 1462275424.43753910 XC 3D grid (689.83422s) stopped
T12 >> 1462275424.43759799 Poisson (373.26101s) started
T12 << 1462275436.15743995 Poisson (384.98085s) stopped
T12 >> 1462275436.15752602 Hartree integrate/restrict (8.47713s) started
T12 << 1462275436.21260309 Hartree integrate/restrict (8.53221s) stopped
T12 >> 1462275436.21270204 Hartree integrate/restrict (8.53228s) started
T12 << 1462275436.53308201 Hartree integrate/restrict (8.85266s) stopped
T12 >> 1462275436.53335404 Atomic (54.16724s) started
T12 >> 1462275436.53726101 XC Correction (0.00090s) started
T12 << 1462275436.53731704 XC Correction (0.00096s) stopped
T12 << 1462275438.90905190 Atomic (56.54293s) stopped
T12 >> 1462275438.90922189 Communicate (263.40118s) started
T12 << 1462275454.15641999 Communicate (278.64837s) stopped
T12 << 1462275454.15645790 Hamiltonian (1419.58161s) stopped
T12 << 1462275454.15647411 LCAO WFS Initialize (1747.31984s) stopped
T12 << 1462275454.16856408 Initialization (2836.00860s) stopped
T12 >> 1462275454.19441509 SCF-cycle (43194.67435s) started
T12 >> 1462275454.19444799 LCAO eigensolver (21837.61556s) started
T12 >> 1462275454.19445992 Potential matrix (330.15404s) started
T12 << 1462275455.14334106 Potential matrix (331.10292s) stopped
T12 >> 1462275455.14343190 DistributedAtomicCorrection (131.50338s) started
T12 << 1462275455.53222895 DistributedAtomicCorrection (131.89217s) stopped
T12 >> 1462275455.53227496 Distribute overlap matrix (2397.85325s) started
T12 >> 1462275455.53230691 blocked summation (1349.95371s) started
T12 << 1462275459.72218800 blocked summation (1354.14359s) stopped
T12 >> 1462275459.73114896 Scalapack redistribute (1044.52749s) started
T12 << 1462275463.10699010 Scalapack redistribute (1047.90333s) stopped
T12 << 1462275463.10709500 Distribute overlap matrix (2405.42807s) stopped
T12 >> 1462275463.11111212 Blacs Orbital Layouts (18379.62220s) started
T12 >> 1462275463.11954403 General diagonalize (18305.74827s) started
T12 << 1462275519.79418206 General diagonalize (18362.42291s) stopped
T12 >> 1462275519.79423809 Redistribute coefs (2.72931s) started
T12 << 1462275519.80359507 Redistribute coefs (2.73866s) stopped
T12 >> 1462275519.80365396 Send coefs to domains (68.07925s) started
T12 << 1462275519.93737602 Send coefs to domains (68.21297s) stopped
T12 << 1462275519.93787909 Blacs Orbital Layouts (18436.44896s) stopped
T12 >> 1462275519.93791103 Calculate projections (596.80228s) started
T12 << 1462275521.71739411 Calculate projections (598.58176s) stopped
T12 << 1462275521.71763492 LCAO eigensolver (21905.13875s) stopped
T12 >> 1462275524.83704090 Density (5274.61820s) started
T12 >> 1462275524.83705592 Pseudo density (4090.35254s) started
T12 >> 1462275524.83968401 Calculate density matrix (3844.64966s) started
T12 << 1462275536.83440709 Calculate density matrix (3856.64438s) stopped
T12 >> 1462275536.83446503 Construct density (239.24039s) started
T12 << 1462275537.58254790 Construct density (239.98847s) stopped
T12 >> 1462275537.59885192 Symmetrize density (0.02715s) started
T12 << 1462275537.59892988 Symmetrize density (0.02722s) stopped
T12 << 1462275537.60148311 Pseudo density (4103.11697s) stopped
T12 >> 1462275537.60155106 Atomic density matrices (1041.34719s) started
T12 << 1462275540.96937895 Atomic density matrices (1044.71502s) stopped
T12 >> 1462275540.96941495 Multipole moments (3.35144s) started
T12 << 1462275540.98202705 Multipole moments (3.36405s) stopped
T12 >> 1462275540.98205090 Normalize (2.18845s) started
T12 << 1462275540.98883891 Normalize (2.19524s) stopped
T12 >> 1462275540.98888612 Mix (137.35414s) started
T12 << 1462275541.39007497 Mix (137.75533s) stopped
T12 << 1462275541.39013290 Density (5291.17129s) stopped
T12 >> 1462275541.39016199 Hamiltonian (14987.87296s) started
T12 >> 1462275541.39017797 vbar (8.84999s) started
T12 << 1462275541.41742992 vbar (8.87724s) stopped
T12 >> 1462275541.41754603 XC 3D grid (9123.20960s) started
T12 >> 1462275541.90810204 van der Waals (8815.26550s) started
T12 >> 1462275542.02267790 semilocal (1858.04757s) started
T12 << 1462275547.75354505 semilocal (1863.77844s) stopped
T12 >> 1462275547.82679796 redistribute (945.37001s) started
T12 << 1462275548.88831806 redistribute (946.43153s) stopped
T12 >> 1462275548.88840604 libvdwxc nonlocal (5950.35309s) started
T12 << 1462275566.83209705 libvdwxc nonlocal (5968.29678s) stopped
T12 >> 1462275566.83216906 redistribute (946.43160s) started
T12 << 1462275568.86630106 redistribute (948.46573s) stopped
T12 << 1462275568.86752391 van der Waals (8842.22493s) stopped
T12 << 1462275569.32765388 XC 3D grid (9151.11970s) stopped
T12 >> 1462275569.32770491 Poisson (2057.36179s) started
T12 << 1462275575.10125089 Poisson (2063.13533s) stopped
T12 >> 1462275575.10133195 Hartree integrate/restrict (118.81759s) started
T12 << 1462275575.14129305 Hartree integrate/restrict (118.85755s) stopped
T12 >> 1462275575.14138603 Hartree integrate/restrict (118.85761s) started
T12 << 1462275575.46610808 Hartree integrate/restrict (119.18233s) stopped
T12 >> 1462275575.46626711 Atomic (768.18841s) started
T12 >> 1462275575.46820998 XC Correction (0.01058s) started
T12 << 1462275575.46822596 XC Correction (0.01060s) stopped
T12 << 1462275577.86432409 Atomic (770.58647s) stopped
T12 >> 1462275577.86452198 Communicate (2911.30252s) started
T12 << 1462275593.07045102 Communicate (2926.50845s) stopped
T12 << 1462275593.07049298 Hamiltonian (15039.55329s) stopped
T12 >> 1462275593.07051897 LCAO eigensolver (21905.13877s) started
T12 >> 1462275593.07053304 Potential matrix (331.10298s) started
T12 << 1462275594.03304696 Potential matrix (332.06549s) stopped
T12 >> 1462275594.03312802 DistributedAtomicCorrection (131.89221s) started
T12 << 1462275594.42248392 DistributedAtomicCorrection (132.28157s) stopped
T12 >> 1462275594.42253304 Distribute overlap matrix (2405.42808s) started
T12 >> 1462275594.42256594 blocked summation (1354.14362s) started
T12 << 1462275598.54447389 blocked summation (1358.26553s) stopped
T12 >> 1462275598.55398607 Scalapack redistribute (1047.90339s) started
T12 << 1462275602.06222606 Scalapack redistribute (1051.41163s) stopped
T12 << 1462275602.06234503 Distribute overlap matrix (2413.06789s) stopped
T12 >> 1462275602.06748104 Blacs Orbital Layouts (18436.44898s) started
T12 >> 1462275602.07635188 General diagonalize (18362.42295s) started
T12 << 1462275654.10078406 General diagonalize (18414.44739s) stopped
T12 >> 1462275654.10084200 Redistribute coefs (2.73871s) started
T12 << 1462275654.10985088 Redistribute coefs (2.74772s) stopped
T12 >> 1462275654.10990310 Send coefs to domains (68.21300s) started
T12 << 1462275654.34283495 Send coefs to domains (68.44594s) stopped
T12 << 1462275654.34319091 Blacs Orbital Layouts (18488.72469s) stopped
T12 >> 1462275654.34322190 Calculate projections (598.58182s) started
T12 << 1462275656.12327695 Calculate projections (600.36188s) stopped
T12 << 1462275656.12367010 LCAO eigensolver (21968.19192s) stopped
T12 >> 1462275659.23951888 Density (5291.17130s) started
T12 >> 1462275659.23953390 Pseudo density (4103.11702s) started
T12 >> 1462275659.24186707 Calculate density matrix (3856.64442s) started
T12 << 1462275671.17745090 Calculate density matrix (3868.58001s) stopped
T12 >> 1462275671.17750692 Construct density (239.98853s) started
T12 << 1462275671.92732096 Construct density (240.73835s) stopped
T12 >> 1462275671.94357395 Symmetrize density (0.02724s) started
T12 << 1462275671.94365096 Symmetrize density (0.02732s) stopped
T12 << 1462275671.94615412 Pseudo density (4115.82364s) stopped
T12 >> 1462275671.94622207 Atomic density matrices (1044.71505s) started
T12 << 1462275675.28485894 Atomic density matrices (1048.05368s) stopped
T12 >> 1462275675.28489494 Multipole moments (3.36406s) started
T12 << 1462275675.29754305 Multipole moments (3.37671s) stopped
T12 >> 1462275675.29756689 Normalize (2.19527s) started
T12 << 1462275675.30446410 Normalize (2.20217s) stopped
T12 >> 1462275675.30451202 Mix (137.75538s) started
T12 << 1462275675.66651702 Mix (138.11739s) stopped
T12 << 1462275675.66654801 Density (5307.59833s) stopped
T12 >> 1462275675.66657090 Hamiltonian (15039.55330s) started
T12 >> 1462275675.66658497 vbar (8.87730s) started
T12 << 1462275675.68749595 vbar (8.89821s) stopped
T12 >> 1462275675.68762898 XC 3D grid (9151.11975s) started
T12 >> 1462275676.20980692 van der Waals (8842.22495s) started
T12 >> 1462275676.32381701 semilocal (1863.77855s) started
T12 << 1462275682.10107088 semilocal (1869.55580s) stopped
T12 >> 1462275682.17564702 redistribute (948.46577s) started
T12 << 1462275683.17647195 redistribute (949.46660s) stopped
T12 >> 1462275683.17652392 libvdwxc nonlocal (5968.29684s) started
T12 << 1462275701.04554391 libvdwxc nonlocal (5986.16586s) stopped
T12 >> 1462275701.04561996 redistribute (949.46664s) started
T12 << 1462275703.02690411 redistribute (951.44792s) stopped
T12 << 1462275703.02822399 van der Waals (8869.04337s) stopped
T12 << 1462275703.48695302 XC 3D grid (9178.91907s) stopped
T12 >> 1462275703.48701596 Poisson (2063.13539s) started
T12 << 1462275710.66034889 Poisson (2070.30873s) stopped
T12 >> 1462275710.66042209 Hartree integrate/restrict (119.18239s) started
T12 << 1462275710.69921803 Hartree integrate/restrict (119.22118s) stopped
T12 >> 1462275710.69930601 Hartree integrate/restrict (119.22124s) started
T12 << 1462275711.01745701 Hartree integrate/restrict (119.53939s) stopped
T12 >> 1462275711.01762199 Atomic (770.58649s) started
T12 >> 1462275711.01946807 XC Correction (0.01061s) started
T12 << 1462275711.01948404 XC Correction (0.01063s) stopped
T12 << 1462275713.43342710 Atomic (773.00230s) stopped
T12 >> 1462275713.43361211 Communicate (2926.50848s) started
T12 << 1462275728.61808610 Communicate (2941.69295s) stopped
T12 << 1462275728.61812806 Hamiltonian (15092.50486s) stopped
T12 >> 1462275728.61815405 LCAO eigensolver (21968.19194s) started
T12 >> 1462275728.61816692 Potential matrix (332.06553s) started
T12 << 1462275729.57224703 Potential matrix (333.01961s) stopped
T12 >> 1462275729.57234406 DistributedAtomicCorrection (132.28161s) started
T12 << 1462275729.97066498 DistributedAtomicCorrection (132.67993s) stopped
T12 >> 1462275729.97071505 Distribute overlap matrix (2413.06791s) started
T12 >> 1462275729.97075200 blocked summation (1358.26558s) started
T12 << 1462275734.21938801 blocked summation (1362.51422s) stopped
T12 >> 1462275734.22897196 Scalapack redistribute (1051.41169s) started
T12 << 1462275737.53683496 Scalapack redistribute (1054.71956s) stopped
T12 << 1462275737.53695989 Distribute overlap matrix (2420.63415s) stopped
T12 >> 1462275737.54152203 Blacs Orbital Layouts (18488.72471s) started
T12 >> 1462275737.55078506 General diagonalize (18414.44743s) started
T12 << 1462275790.75085306 General diagonalize (18467.64750s) stopped
T12 >> 1462275790.75090599 Redistribute coefs (2.74776s) started
T12 << 1462275790.75975990 Redistribute coefs (2.75661s) stopped
T12 >> 1462275790.75980806 Send coefs to domains (68.44598s) started
T12 << 1462275790.96206999 Send coefs to domains (68.64824s) stopped
T12 << 1462275790.96243811 Blacs Orbital Layouts (18542.14563s) stopped
T12 >> 1462275790.96246791 Calculate projections (600.36194s) started
T12 << 1462275792.74122906 Calculate projections (602.14070s) stopped
T12 << 1462275792.74162197 LCAO eigensolver (22032.31541s) stopped
T12 >> 1462275795.85215306 Density (5307.59834s) started
T12 >> 1462275795.85216904 Pseudo density (4115.82369s) started
T12 >> 1462275795.85475802 Calculate density matrix (3868.58004s) started
T12 << 1462275807.73559308 Calculate density matrix (3880.46088s) stopped
T12 >> 1462275807.73565102 Construct density (240.73840s) started
T12 << 1462275808.48471093 Construct density (241.48746s) stopped
T12 >> 1462275808.50161791 Symmetrize density (0.02734s) started
T12 << 1462275808.50169492 Symmetrize density (0.02742s) stopped
T12 << 1462275808.50418401 Pseudo density (4128.47571s) stopped
T12 >> 1462275808.50425196 Atomic density matrices (1048.05371s) started
T12 << 1462275811.88719797 Atomic density matrices (1051.43666s) stopped
T12 >> 1462275811.88723397 Multipole moments (3.37673s) started
T12 << 1462275811.89994097 Multipole moments (3.38944s) stopped
T12 >> 1462275811.89996505 Normalize (2.20220s) started
T12 << 1462275811.90690708 Normalize (2.20915s) stopped
T12 >> 1462275811.90695310 Mix (138.11742s) started
T12 << 1462275812.30750203 Mix (138.51797s) stopped
T12 << 1462275812.30758810 Density (5324.05378s) stopped
T12 >> 1462275812.30762601 Hamiltonian (15092.50487s) started
T12 >> 1462275812.30764508 vbar (8.89829s) started
T12 << 1462275812.32920408 vbar (8.91985s) stopped
T12 >> 1462275812.32930899 XC 3D grid (9178.91912s) started
T12 >> 1462275812.84187794 van der Waals (8869.04340s) started
T12 >> 1462275812.95615292 semilocal (1869.55589s) started
T12 << 1462275818.72001910 semilocal (1875.31975s) stopped
T12 >> 1462275818.79471302 redistribute (951.44796s) started
T12 << 1462275819.82754397 redistribute (952.48079s) stopped
T12 >> 1462275819.82759500 libvdwxc nonlocal (5986.16592s) started
T12 << 1462275837.63214898 libvdwxc nonlocal (6003.97047s) stopped
T12 >> 1462275837.63223100 redistribute (952.48083s) started
T12 << 1462275839.81886005 redistribute (954.66746s) stopped
T12 << 1462275839.81991601 van der Waals (8896.02143s) stopped
T12 << 1462275840.28015399 XC 3D grid (9206.86997s) stopped
T12 >> 1462275840.28020811 Poisson (2070.30878s) started
T12 << 1462275847.38429093 Poisson (2077.41286s) stopped
T12 >> 1462275847.38441110 Hartree integrate/restrict (119.53945s) started
T12 << 1462275847.42375803 Hartree integrate/restrict (119.57880s) stopped
T12 >> 1462275847.42384505 Hartree integrate/restrict (119.57885s) started
T12 << 1462275847.75994611 Hartree integrate/restrict (119.91495s) stopped
T12 >> 1462275847.76006103 Atomic (773.00232s) started
T12 >> 1462275847.76175594 XC Correction (0.01064s) started
T12 << 1462275847.76177502 XC Correction (0.01065s) stopped
T12 << 1462275850.15347791 Atomic (775.39574s) stopped
T12 >> 1462275850.15363193 Communicate (2941.69298s) started
T12 << 1462275864.55210805 Communicate (2956.09145s) stopped
T12 << 1462275864.55214405 Hamiltonian (15144.74939s) stopped
T12 >> 1462275864.55216789 LCAO eigensolver (22032.31543s) started
T12 >> 1462275864.55218101 Potential matrix (333.01967s) started
T12 << 1462275865.50449610 Potential matrix (333.97198s) stopped
T12 >> 1462275865.50456905 DistributedAtomicCorrection (132.67997s) started
T12 << 1462275865.90398097 DistributedAtomicCorrection (133.07938s) stopped
T12 >> 1462275865.90402699 Distribute overlap matrix (2420.63416s) started
T12 >> 1462275865.90406108 blocked summation (1362.51425s) started
T12 << 1462275870.13050103 blocked summation (1366.74069s) stopped
T12 >> 1462275870.14014697 Scalapack redistribute (1054.71963s) started
T12 << 1462275873.46795797 Scalapack redistribute (1058.04744s) stopped
T12 << 1462275873.46804500 Distribute overlap matrix (2428.19818s) stopped
T12 >> 1462275873.47369409 Blacs Orbital Layouts (18542.14565s) started
T12 >> 1462275873.48226404 General diagonalize (18467.64754s) started
T12 << 1462275925.35212994 General diagonalize (18519.51741s) stopped
T12 >> 1462275925.35219002 Redistribute coefs (2.75665s) started
T12 << 1462275925.36192894 Redistribute coefs (2.76639s) stopped
T12 >> 1462275925.36197805 Send coefs to domains (68.64828s) started
T12 << 1462275925.45068908 Send coefs to domains (68.73699s) stopped
T12 << 1462275925.45117497 Blacs Orbital Layouts (18594.12313s) stopped
T12 >> 1462275925.45120406 Calculate projections (602.14076s) started
T12 << 1462275927.22978902 Calculate projections (603.91934s) stopped
T12 << 1462275927.23003411 LCAO eigensolver (22094.99329s) stopped
T12 >> 1462275930.35228896 Density (5324.05379s) started
T12 >> 1462275930.35230398 Pseudo density (4128.47576s) started
T12 >> 1462275930.35513902 Calculate density matrix (3880.46092s) started
T12 << 1462275942.26940894 Calculate density matrix (3892.37519s) stopped
T12 >> 1462275942.26946497 Construct density (241.48752s) started
T12 << 1462275943.01717210 Construct density (242.23523s) stopped
T12 >> 1462275943.03365207 Symmetrize density (0.02744s) started
T12 << 1462275943.03372693 Symmetrize density (0.02751s) stopped
T12 << 1462275943.03621411 Pseudo density (4141.15967s) stopped
T12 >> 1462275943.03628206 Atomic density matrices (1051.43669s) started
T12 << 1462275946.41552997 Atomic density matrices (1054.81593s) stopped
T12 >> 1462275946.41556597 Multipole moments (3.38945s) started
T12 << 1462275946.42750406 Multipole moments (3.40139s) stopped
T12 >> 1462275946.42753696 Normalize (2.20918s) started
T12 << 1462275946.43539500 Normalize (2.21704s) stopped
T12 >> 1462275946.43544412 Mix (138.51805s) started
T12 << 1462275946.88959098 Mix (138.97220s) stopped
T12 << 1462275946.88963389 Density (5340.59114s) stopped
T12 >> 1462275946.88965988 Hamiltonian (15144.74940s) started
T12 >> 1462275946.88967490 vbar (8.91991s) started
T12 << 1462275946.91993690 vbar (8.95017s) stopped
T12 >> 1462275946.92013097 XC 3D grid (9206.87001s) started
T12 >> 1462275947.38527608 van der Waals (8896.02146s) started
T12 >> 1462275947.50077605 semilocal (1875.31985s) started
T12 << 1462275953.25790691 semilocal (1881.07698s) stopped
T12 >> 1462275953.33005404 redistribute (954.66754s) started
T12 << 1462275954.38511992 redistribute (955.72260s) stopped
T12 >> 1462275954.38516998 libvdwxc nonlocal (6003.97053s) started
T12 << 1462275972.60507011 libvdwxc nonlocal (6022.19043s) stopped
T12 >> 1462275972.60515404 redistribute (955.72264s) started
T12 << 1462275974.62476707 redistribute (957.74225s) stopped
T12 << 1462275974.62563300 van der Waals (8923.26182s) stopped
T12 << 1462275975.08711100 XC 3D grid (9235.03699s) stopped
T12 >> 1462275975.08717489 Poisson (2077.41296s) started
T12 << 1462275982.29053807 Poisson (2084.61632s) stopped
T12 >> 1462275982.29064989 Hartree integrate/restrict (119.91498s) started
T12 << 1462275982.32972407 Hartree integrate/restrict (119.95406s) stopped
T12 >> 1462275982.32980609 Hartree integrate/restrict (119.95411s) started
T12 << 1462275982.65587711 Hartree integrate/restrict (120.28018s) stopped
T12 >> 1462275982.65604901 Atomic (775.39576s) started
T12 >> 1462275982.65791392 XC Correction (0.01067s) started
T12 << 1462275982.65792990 XC Correction (0.01068s) stopped
T12 << 1462275985.06485605 Atomic (777.80457s) stopped
T12 >> 1462275985.06503510 Communicate (2956.09148s) started
T12 << 1462275998.59752989 Communicate (2969.62397s) stopped
T12 << 1462275998.59757209 Hamiltonian (15196.45732s) stopped
T12 >> 1462275998.59759903 LCAO eigensolver (22094.99331s) started
T12 >> 1462275998.59761310 Potential matrix (333.97203s) started
T12 << 1462275999.55244303 Potential matrix (334.92686s) stopped
T12 >> 1462275999.55252409 DistributedAtomicCorrection (133.07942s) started
T12 << 1462275999.94914508 DistributedAtomicCorrection (133.47604s) stopped
T12 >> 1462275999.94919300 Distribute overlap matrix (2428.19820s) started
T12 >> 1462275999.94922709 blocked summation (1366.74073s) started
T12 << 1462276004.10062599 blocked summation (1370.89212s) stopped
T12 >> 1462276004.11106896 Scalapack redistribute (1058.04748s) started
T12 << 1462276007.52988005 Scalapack redistribute (1061.46629s) stopped
T12 << 1462276007.53000093 Distribute overlap matrix (2435.77900s) stopped
T12 >> 1462276007.53441691 Blacs Orbital Layouts (18594.12315s) started
T12 >> 1462276007.54339790 General diagonalize (18519.51746s) started
T12 << 1462276061.85668898 General diagonalize (18573.83075s) stopped
T12 >> 1462276061.85676193 Redistribute coefs (2.76643s) started
T12 << 1462276061.86616993 Redistribute coefs (2.77584s) stopped
T12 >> 1462276061.86621809 Send coefs to domains (68.73703s) started
T12 << 1462276061.98508906 Send coefs to domains (68.85590s) stopped
T12 << 1462276061.98555112 Blacs Orbital Layouts (18648.57428s) stopped
T12 >> 1462276061.98558211 Calculate projections (603.91941s) started
T12 << 1462276063.76410508 Calculate projections (605.69793s) stopped
T12 << 1462276063.76449108 LCAO eigensolver (22160.16020s) stopped
T12 >> 1462276066.88221598 Density (5340.59115s) started
T12 >> 1462276066.88223100 Pseudo density (4141.15973s) started
T12 >> 1462276066.88509703 Calculate density matrix (3892.37523s) started
T12 << 1462276078.77062893 Calculate density matrix (3904.26076s) stopped
T12 >> 1462276078.77068591 Construct density (242.23529s) started
T12 << 1462276079.51903391 Construct density (242.98364s) stopped
T12 >> 1462276079.53509808 Symmetrize density (0.02753s) started
T12 << 1462276079.53517294 Symmetrize density (0.02761s) stopped
T12 << 1462276079.53764701 Pseudo density (4153.81514s) stopped
T12 >> 1462276079.53771591 Atomic density matrices (1054.81596s) started
T12 << 1462276082.91033602 Atomic density matrices (1058.18858s) stopped
T12 >> 1462276082.91037107 Multipole moments (3.40141s) started
T12 << 1462276082.92300010 Multipole moments (3.41404s) stopped
T12 >> 1462276082.92303205 Normalize (2.21707s) started
T12 << 1462276082.93092799 Normalize (2.22497s) stopped
T12 >> 1462276082.93097997 Mix (138.97224s) started
T12 << 1462276083.35214996 Mix (139.39341s) stopped
T12 << 1462276083.35218191 Density (5357.06112s) stopped
T12 >> 1462276083.35220695 Hamiltonian (15196.45733s) started
T12 >> 1462276083.35222292 vbar (8.95028s) started
T12 << 1462276083.38163400 vbar (8.97969s) stopped
T12 >> 1462276083.38185096 XC 3D grid (9235.03704s) started
T12 >> 1462276083.86010599 van der Waals (8923.26184s) started
T12 >> 1462276083.97694802 semilocal (1881.07709s) started
T12 << 1462276089.71476197 semilocal (1886.81491s) stopped
T12 >> 1462276089.78866792 redistribute (957.74232s) started
T12 << 1462276090.83146095 redistribute (958.78511s) stopped
T12 >> 1462276090.83151102 libvdwxc nonlocal (6022.19050s) started
T12 << 1462276108.79984593 libvdwxc nonlocal (6040.15883s) stopped
T12 >> 1462276108.79992294 redistribute (958.78515s) started
T12 << 1462276110.80064893 redistribute (960.78587s) stopped
T12 << 1462276110.80159402 van der Waals (8950.20333s) stopped
T12 << 1462276111.26367688 XC 3D grid (9262.91887s) stopped
T12 >> 1462276111.26374102 Poisson (2084.61641s) started
T12 << 1462276116.98359203 Poisson (2090.33626s) stopped
T12 >> 1462276116.98366690 Hartree integrate/restrict (120.28024s) started
T12 << 1462276117.02157807 Hartree integrate/restrict (120.31815s) stopped
T12 >> 1462276117.02166510 Hartree integrate/restrict (120.31820s) started
T12 << 1462276117.38214207 Hartree integrate/restrict (120.67868s) stopped
T12 >> 1462276117.38229489 Atomic (777.80459s) started
T12 >> 1462276117.38409305 XC Correction (0.01069s) started
T12 << 1462276117.38410711 XC Correction (0.01071s) stopped
T12 << 1462276119.80336809 Atomic (780.22567s) stopped
T12 >> 1462276119.80353189 Communicate (2969.62400s) started
T12 << 1462276132.83375907 Communicate (2982.65423s) stopped
T12 << 1462276132.83380294 Hamiltonian (15245.93892s) stopped
T12 >> 1462276132.83383393 LCAO eigensolver (22160.16022s) started
T12 >> 1462276132.83384800 Potential matrix (334.92690s) started
T12 << 1462276133.78362393 Potential matrix (335.87667s) stopped
T12 >> 1462276133.78370690 DistributedAtomicCorrection (133.47608s) started
T12 << 1462276134.19114399 DistributedAtomicCorrection (133.88352s) stopped
T12 >> 1462276134.19119191 Distribute overlap matrix (2435.77902s) started
T12 >> 1462276134.19123101 blocked summation (1370.89216s) started
T12 << 1462276138.34616590 blocked summation (1375.04709s) stopped
T12 >> 1462276138.35577893 Scalapack redistribute (1061.46636s) started
T12 << 1462276141.70112991 Scalapack redistribute (1064.81171s) stopped
T12 << 1462276141.70124602 Distribute overlap matrix (2443.28907s) stopped
T12 >> 1462276141.70588303 Blacs Orbital Layouts (18648.57430s) started
T12 >> 1462276141.71463895 General diagonalize (18573.83081s) started
T12 << 1462276196.38074303 General diagonalize (18628.49691s) stopped
T12 >> 1462276196.38079309 Redistribute coefs (2.77587s) started
T12 << 1462276196.38965893 Redistribute coefs (2.78474s) stopped
T12 >> 1462276196.38971305 Send coefs to domains (68.85594s) started
T12 << 1462276196.48300791 Send coefs to domains (68.94924s) stopped
T12 << 1462276196.48360395 Blacs Orbital Layouts (18703.35202s) stopped
T12 >> 1462276196.48363209 Calculate projections (605.69799s) started
T12 << 1462276198.25261497 Calculate projections (607.46697s) stopped
T12 << 1462276198.25310493 LCAO eigensolver (22225.57949s) stopped
T12 >> 1462276201.38141990 Density (5357.06113s) started
T12 >> 1462276201.38143492 Pseudo density (4153.81520s) started
T12 >> 1462276201.38357306 Calculate density matrix (3904.26080s) started
T12 << 1462276213.27275491 Calculate density matrix (3916.14998s) stopped
T12 >> 1462276213.27280688 Construct density (242.98370s) started
T12 << 1462276214.02108788 Construct density (243.73198s) stopped
T12 >> 1462276214.03523803 Symmetrize density (0.02763s) started
T12 << 1462276214.03530502 Symmetrize density (0.02769s) stopped
T12 << 1462276214.03740501 Pseudo density (4166.47117s) stopped
T12 >> 1462276214.03746390 Atomic density matrices (1058.18861s) started
T12 << 1462276217.37405300 Atomic density matrices (1061.52520s) stopped
T12 >> 1462276217.37408590 Multipole moments (3.41405s) started
T12 << 1462276217.38652492 Multipole moments (3.42649s) stopped
T12 >> 1462276217.38655496 Normalize (2.22500s) started
T12 << 1462276217.39288592 Normalize (2.23133s) stopped
T12 >> 1462276217.39293194 Mix (139.39344s) started
T12 << 1462276217.86614609 Mix (139.86666s) stopped
T12 << 1462276217.86619091 Density (5373.54590s) stopped
T12 >> 1462276217.86621594 Hamiltonian (15245.93894s) started
T12 >> 1462276217.86623096 vbar (8.97981s) started
T12 << 1462276217.89844704 vbar (9.01202s) stopped
T12 >> 1462276217.89853096 XC 3D grid (9262.91892s) started
T12 >> 1462276218.37744808 van der Waals (8950.20335s) started
T12 >> 1462276218.48762298 semilocal (1886.81500s) started
T12 << 1462276224.22877097 semilocal (1892.55614s) stopped
T12 >> 1462276224.30710697 redistribute (960.78593s) started
T12 << 1462276225.34377003 redistribute (961.82259s) stopped
T12 >> 1462276225.34381795 libvdwxc nonlocal (6040.15889s) started
T12 << 1462276243.46215105 libvdwxc nonlocal (6058.27722s) stopped
T12 >> 1462276243.46220899 redistribute (961.82263s) started
T12 << 1462276245.97736812 redistribute (964.33779s) stopped
T12 << 1462276245.97860289 van der Waals (8977.80450s) stopped
T12 << 1462276246.43866992 XC 3D grid (9291.45906s) stopped
T12 >> 1462276246.43871403 Poisson (2090.33631s) started
T12 << 1462276252.17129207 Poisson (2096.06889s) stopped
T12 >> 1462276252.17143106 Hartree integrate/restrict (120.67873s) started
T12 << 1462276252.21378303 Hartree integrate/restrict (120.72108s) stopped
T12 >> 1462276252.21386504 Hartree integrate/restrict (120.72114s) started
T12 << 1462276252.52859306 Hartree integrate/restrict (121.03587s) stopped
T12 >> 1462276252.52872491 Atomic (780.22569s) started
T12 >> 1462276252.53045297 XC Correction (0.01072s) started
T12 << 1462276252.53046799 XC Correction (0.01073s) stopped
T12 << 1462276254.94088507 Atomic (782.63785s) stopped
T12 >> 1462276254.94101691 Communicate (2982.65426s) started
T12 << 1462276268.05119491 Communicate (2995.76444s) stopped
T12 << 1462276268.05122590 Hamiltonian (15296.12395s) stopped
T12 >> 1462276268.05124998 LCAO eigensolver (22225.57951s) started
T12 >> 1462276268.05126190 Potential matrix (335.87672s) started
T12 << 1462276269.01541996 Potential matrix (336.84088s) stopped
T12 >> 1462276269.01549196 DistributedAtomicCorrection (133.88355s) started
T12 << 1462276269.42786002 DistributedAtomicCorrection (134.29592s) stopped
T12 >> 1462276269.42790699 Distribute overlap matrix (2443.28909s) started
T12 >> 1462276269.42794490 blocked summation (1375.04715s) started
T12 << 1462276273.54521108 blocked summation (1379.16441s) stopped
T12 >> 1462276273.55587506 Scalapack redistribute (1064.81177s) started
T12 << 1462276276.92635989 Scalapack redistribute (1068.18226s) stopped
T12 << 1462276276.92646694 Distribute overlap matrix (2450.78765s) stopped
T12 >> 1462276276.93102098 Blacs Orbital Layouts (18703.35204s) started
T12 >> 1462276276.93958306 General diagonalize (18628.49695s) started
T12 << 1462276331.09736991 General diagonalize (18682.65474s) stopped
T12 >> 1462276331.09744501 Redistribute coefs (2.78478s) started
T12 << 1462276331.10591197 Redistribute coefs (2.79325s) stopped
T12 >> 1462276331.10595393 Send coefs to domains (68.94927s) started
T12 << 1462276331.38907099 Send coefs to domains (69.23238s) stopped
T12 << 1462276331.38935590 Blacs Orbital Layouts (18757.81038s) stopped
T12 >> 1462276331.38938403 Calculate projections (607.46703s) started
T12 << 1462276333.15927792 Calculate projections (609.23692s) stopped
T12 << 1462276333.15962911 LCAO eigensolver (22290.68789s) stopped
T12 >> 1462276336.29128599 Density (5373.54591s) started
T12 >> 1462276336.29130101 Pseudo density (4166.47121s) started
T12 >> 1462276336.29310393 Calculate density matrix (3916.15001s) started
T12 << 1462276349.31603003 Calculate density matrix (3929.17294s) stopped
T12 >> 1462276349.31608701 Construct density (243.73203s) started
T12 << 1462276350.06498289 Construct density (244.48093s) stopped
T12 >> 1462276350.08243489 Symmetrize density (0.02771s) started
T12 << 1462276350.08250904 Symmetrize density (0.02778s) stopped
T12 << 1462276350.08500290 Pseudo density (4180.26492s) stopped
T12 >> 1462276350.08507204 Atomic density matrices (1061.52522s) started
T12 << 1462276353.44238400 Atomic density matrices (1064.88253s) stopped
T12 >> 1462276353.44242096 Multipole moments (3.42651s) started
T12 << 1462276353.45443797 Multipole moments (3.43853s) stopped
T12 >> 1462276353.45446992 Normalize (2.23137s) started
T12 << 1462276353.46374702 Normalize (2.24064s) stopped
T12 >> 1462276353.46379495 Mix (139.86670s) started
T12 << 1462276353.92324305 Mix (140.32615s) stopped
T12 << 1462276353.92330194 Density (5391.17793s) stopped
T12 >> 1462276353.92333198 Hamiltonian (15296.12396s) started
T12 >> 1462276353.92334890 vbar (9.01206s) started
T12 << 1462276353.94888210 vbar (9.03760s) stopped
T12 >> 1462276353.94901109 XC 3D grid (9291.45909s) started
T12 >> 1462276354.45506310 van der Waals (8977.80454s) started
T12 >> 1462276354.57110691 semilocal (1892.55624s) started
T12 << 1462276360.31912589 semilocal (1898.30426s) stopped
T12 >> 1462276360.39146090 redistribute (964.33782s) started
T12 << 1462276361.42854095 redistribute (965.37490s) stopped
T12 >> 1462276361.42859292 libvdwxc nonlocal (6058.27727s) started
T12 << 1462276379.24738193 libvdwxc nonlocal (6076.09606s) stopped
T12 >> 1462276379.24746299 redistribute (965.37494s) started
T12 << 1462276381.26648092 redistribute (967.39396s) stopped
T12 << 1462276381.26763606 van der Waals (9004.61711s) stopped
T12 << 1462276381.72306299 XC 3D grid (9319.23314s) stopped
T12 >> 1462276381.72311401 Poisson (2096.06899s) started
T12 << 1462276386.08853102 Poisson (2100.43441s) stopped
T12 >> 1462276386.08861709 Hartree integrate/restrict (121.03591s) started
T12 << 1462276386.12641501 Hartree integrate/restrict (121.07371s) stopped
T12 >> 1462276386.12652206 Hartree integrate/restrict (121.07378s) started
T12 << 1462276386.44634795 Hartree integrate/restrict (121.39361s) stopped
T12 >> 1462276386.44651389 Atomic (782.63787s) started
T12 >> 1462276386.44831109 XC Correction (0.01074s) started
T12 << 1462276386.44832492 XC Correction (0.01076s) stopped
T12 << 1462276388.85478401 Atomic (785.04614s) stopped
T12 >> 1462276388.85492206 Communicate (2995.76446s) started
T12 << 1462276402.11943793 Communicate (3009.02897s) stopped
T12 << 1462276402.11948299 Hamiltonian (15344.32011s) stopped
T12 >> 1462276402.11950994 LCAO eigensolver (22290.68791s) started
T12 >> 1462276402.11952305 Potential matrix (336.84092s) started
T12 << 1462276403.07816696 Potential matrix (337.79956s) stopped
T12 >> 1462276403.07824802 DistributedAtomicCorrection (134.29596s) started
T12 << 1462276403.48454309 DistributedAtomicCorrection (134.70225s) stopped
T12 >> 1462276403.48459196 Distribute overlap matrix (2450.78766s) started
T12 >> 1462276403.48463106 blocked summation (1379.16445s) started
T12 << 1462276407.67061305 blocked summation (1383.35043s) stopped
T12 >> 1462276407.68043208 Scalapack redistribute (1068.18232s) started
T12 << 1462276411.04713106 Scalapack redistribute (1071.54902s) stopped
T12 << 1462276411.04727006 Distribute overlap matrix (2458.35034s) stopped
T12 >> 1462276411.05186892 Blacs Orbital Layouts (18757.81040s) started
T12 >> 1462276411.06037593 General diagonalize (18682.65480s) started
T12 << 1462276462.69469309 General diagonalize (18734.28912s) stopped
T12 >> 1462276462.69474196 Redistribute coefs (2.79328s) started
T12 << 1462276462.70338511 Redistribute coefs (2.80192s) stopped
T12 >> 1462276462.70342588 Send coefs to domains (69.23242s) started
T12 << 1462276462.88669109 Send coefs to domains (69.41568s) stopped
T12 << 1462276462.88719511 Blacs Orbital Layouts (18809.64572s) stopped
T12 >> 1462276462.88722301 Calculate projections (609.23697s) started
T12 << 1462276464.65576196 Calculate projections (611.00551s) stopped
T12 << 1462276464.65627193 LCAO eigensolver (22353.22467s) stopped
T12 >> 1462276467.77963209 Density (5391.17794s) started
T12 >> 1462276467.77964711 Pseudo density (4180.26497s) started
T12 >> 1462276467.78178096 Calculate density matrix (3929.17298s) started
T12 << 1462276479.69167709 Calculate density matrix (3941.08287s) stopped
T12 >> 1462276479.69172692 Construct density (244.48099s) started
T12 << 1462276480.44162107 Construct density (245.23088s) stopped
T12 >> 1462276480.45588398 Symmetrize density (0.02780s) started
T12 << 1462276480.45594811 Symmetrize density (0.02787s) stopped
T12 << 1462276480.45804811 Pseudo density (4192.94337s) stopped
T12 >> 1462276480.45810699 Atomic density matrices (1064.88256s) started
T12 << 1462276483.82246590 Atomic density matrices (1068.24692s) stopped
T12 >> 1462276483.82249999 Multipole moments (3.43854s) started
T12 << 1462276483.83520103 Multipole moments (3.45124s) stopped
T12 >> 1462276483.83523202 Normalize (2.24068s) started
T12 << 1462276483.84180093 Normalize (2.24725s) stopped
T12 >> 1462276483.84184909 Mix (140.32621s) started
T12 << 1462276484.27551103 Mix (140.75987s) stopped
T12 << 1462276484.27554798 Density (5407.67386s) stopped
T12 >> 1462276484.27557206 Hamiltonian (15344.32012s) started
T12 >> 1462276484.27558589 vbar (9.03768s) started
T12 << 1462276484.30430698 vbar (9.06640s) stopped
T12 >> 1462276484.30438304 XC 3D grid (9319.23318s) started
T12 >> 1462276484.77909899 van der Waals (9004.61713s) started
T12 >> 1462276484.88809299 semilocal (1898.30437s) started
T12 << 1462276490.67851305 semilocal (1904.09479s) stopped
T12 >> 1462276490.76103997 redistribute (967.39400s) started
T12 << 1462276491.73879695 redistribute (968.37176s) stopped
T12 >> 1462276491.73884010 libvdwxc nonlocal (6076.09612s) started
T12 << 1462276509.83636594 libvdwxc nonlocal (6094.19364s) stopped
T12 >> 1462276509.83642912 redistribute (968.37179s) started
T12 << 1462276511.51856995 redistribute (970.05393s) stopped
T12 << 1462276511.52005410 van der Waals (9031.35809s) stopped
T12 << 1462276511.98464894 XC 3D grid (9346.91345s) stopped
T12 >> 1462276511.98470092 Poisson (2100.43448s) started
T12 << 1462276514.86835289 Poisson (2103.31813s) stopped
T12 >> 1462276514.86847496 Hartree integrate/restrict (121.39367s) started
T12 << 1462276514.90879893 Hartree integrate/restrict (121.43399s) stopped
T12 >> 1462276514.90887094 Hartree integrate/restrict (121.43404s) started
T12 << 1462276515.21919107 Hartree integrate/restrict (121.74436s) stopped
T12 >> 1462276515.21933103 Atomic (785.04617s) started
T12 >> 1462276515.22097802 XC Correction (0.01077s) started
T12 << 1462276515.22099209 XC Correction (0.01078s) stopped
T12 << 1462276517.62703800 Atomic (787.45388s) stopped
T12 >> 1462276517.62715006 Communicate (3009.02900s) started
T12 << 1462276530.89410305 Communicate (3022.29596s) stopped
T12 << 1462276530.89413595 Hamiltonian (15390.93869s) stopped
T12 >> 1462276530.89416003 LCAO eigensolver (22353.22469s) started
T12 >> 1462276530.89417291 Potential matrix (337.79961s) started
T12 << 1462276531.85582399 Potential matrix (338.76126s) stopped
T12 >> 1462276531.85589504 DistributedAtomicCorrection (134.70229s) started
T12 << 1462276532.27052999 DistributedAtomicCorrection (135.11693s) stopped
T12 >> 1462276532.27057695 Distribute overlap matrix (2458.35035s) started
T12 >> 1462276532.27061605 blocked summation (1383.35046s) started
T12 << 1462276536.38395190 blocked summation (1387.46380s) stopped
T12 >> 1462276536.39425802 Scalapack redistribute (1071.54909s) started
T12 << 1462276539.82375407 Scalapack redistribute (1074.97859s) stopped
T12 << 1462276539.82385993 Distribute overlap matrix (2465.90363s) stopped
T12 >> 1462276539.82816005 Blacs Orbital Layouts (18809.64574s) started
T12 >> 1462276539.83657908 General diagonalize (18734.28916s) started
T12 << 1462276591.74587703 General diagonalize (18786.19846s) stopped
T12 >> 1462276591.74592304 Redistribute coefs (2.80195s) started
T12 << 1462276591.75446701 Redistribute coefs (2.81050s) stopped
T12 >> 1462276591.75450802 Send coefs to domains (69.41572s) started
T12 << 1462276591.85111690 Send coefs to domains (69.51233s) stopped
T12 << 1462276591.85143900 Blacs Orbital Layouts (18861.66902s) stopped
T12 >> 1462276591.85146689 Calculate projections (611.00556s) started
T12 << 1462276593.62098908 Calculate projections (612.77509s) stopped
T12 << 1462276593.62133789 LCAO eigensolver (22415.95187s) stopped
T12 >> 1462276596.74219489 Density (5407.67387s) started
T12 >> 1462276596.74220896 Pseudo density (4192.94342s) started
T12 >> 1462276596.74457788 Calculate density matrix (3941.08291s) started
T12 << 1462276608.70357299 Calculate density matrix (3953.04190s) stopped
T12 >> 1462276608.70362306 Construct density (245.23093s) started
T12 << 1462276609.45075202 Construct density (245.97806s) stopped
T12 >> 1462276609.46470404 Symmetrize density (0.02788s) started
T12 << 1462276609.46476698 Symmetrize density (0.02795s) stopped
T12 << 1462276609.46685004 Pseudo density (4205.66806s) stopped
T12 >> 1462276609.46690607 Atomic density matrices (1068.24694s) started
T12 << 1462276612.77557802 Atomic density matrices (1071.55562s) stopped
T12 >> 1462276612.77561092 Multipole moments (3.45126s) started
T12 << 1462276612.78840303 Multipole moments (3.46405s) stopped
T12 >> 1462276612.78843093 Normalize (2.24728s) started
T12 << 1462276612.79478502 Normalize (2.25364s) stopped
T12 >> 1462276612.79484606 Mix (140.75990s) started
T12 << 1462276613.21115804 Mix (141.17622s) stopped
T12 << 1462276613.21121812 Density (5424.14290s) stopped
T12 >> 1462276613.21124411 Hamiltonian (15390.93870s) started
T12 >> 1462276613.21126103 vbar (9.06644s) started
T12 << 1462276613.23414612 vbar (9.08932s) stopped
T12 >> 1462276613.23422194 XC 3D grid (9346.91349s) started
T12 >> 1462276613.71994591 van der Waals (9031.35812s) started
T12 >> 1462276613.82821298 semilocal (1904.09491s) started
T12 << 1462276619.53205204 semilocal (1909.79875s) stopped
T12 >> 1462276619.62421203 redistribute (970.05397s) started
T12 << 1462276620.71336699 redistribute (971.14313s) stopped
T12 >> 1462276620.71340895 libvdwxc nonlocal (6094.19369s) started
T12 << 1462276638.94881105 libvdwxc nonlocal (6112.42909s) stopped
T12 >> 1462276638.94887090 redistribute (971.14316s) started
T12 << 1462276640.74154401 redistribute (972.93583s) stopped
T12 << 1462276640.74258900 van der Waals (9058.38076s) stopped
T12 << 1462276641.19926405 XC 3D grid (9374.87853s) stopped
T12 >> 1462276641.19931698 Poisson (2103.31823s) started
T12 << 1462276645.58862495 Poisson (2107.70753s) stopped
T12 >> 1462276645.58874202 Hartree integrate/restrict (121.74441s) started
T12 << 1462276645.63047194 Hartree integrate/restrict (121.78614s) stopped
T12 >> 1462276645.63052011 Hartree integrate/restrict (121.78617s) started
T12 << 1462276645.94093204 Hartree integrate/restrict (122.09659s) stopped
T12 >> 1462276645.94107509 Atomic (787.45390s) started
T12 >> 1462276645.94270611 XC Correction (0.01079s) started
T12 << 1462276645.94272089 XC Correction (0.01081s) stopped
T12 << 1462276648.35563397 Atomic (789.86846s) stopped
T12 >> 1462276648.35572910 Communicate (3022.29598s) started
T12 << 1462276661.56839395 Communicate (3035.50864s) stopped
T12 << 1462276661.56842208 Hamiltonian (15439.29587s) stopped
T12 >> 1462276661.56844401 LCAO eigensolver (22415.95189s) started
T12 >> 1462276661.56845689 Potential matrix (338.76130s) started
T12 << 1462276662.52791595 Potential matrix (339.72076s) stopped
T12 >> 1462276662.52798796 DistributedAtomicCorrection (135.11697s) started
T12 << 1462276662.93981910 DistributedAtomicCorrection (135.52880s) stopped
T12 >> 1462276662.93986511 Distribute overlap matrix (2465.90364s) started
T12 >> 1462276662.93990397 blocked summation (1387.46385s) started
T12 << 1462276667.04589391 blocked summation (1391.56984s) stopped
T12 >> 1462276667.05530906 Scalapack redistribute (1074.97865s) started
T12 << 1462276670.51469111 Scalapack redistribute (1078.43803s) stopped
T12 << 1462276670.51480293 Distribute overlap matrix (2473.47858s) stopped
T12 >> 1462276670.51930904 Blacs Orbital Layouts (18861.66904s) started
T12 >> 1462276670.52784991 General diagonalize (18786.19849s) started
T12 << 1462276722.33731890 General diagonalize (18838.00796s) stopped
T12 >> 1462276722.33736610 Redistribute coefs (2.81053s) started
T12 << 1462276722.34582996 Redistribute coefs (2.81899s) stopped
T12 >> 1462276722.34587193 Send coefs to domains (69.51239s) started
T12 << 1462276722.95935512 Send coefs to domains (70.12587s) stopped
T12 << 1462276722.95965409 Blacs Orbital Layouts (18914.10939s) stopped
T12 >> 1462276722.95968390 Calculate projections (612.77514s) started
T12 << 1462276724.72892094 Calculate projections (614.54437s) stopped
T12 << 1462276724.72925901 LCAO eigensolver (22479.11270s) stopped
T12 >> 1462276727.84212399 Density (5424.14291s) started
T12 >> 1462276727.84213805 Pseudo density (4205.66810s) started
T12 >> 1462276727.84433198 Calculate density matrix (3953.04194s) started
T12 << 1462276739.78901291 Calculate density matrix (3964.98662s) stopped
T12 >> 1462276739.78906298 Construct density (245.97812s) started
T12 << 1462276740.53670597 Construct density (246.72576s) stopped
T12 >> 1462276740.55081105 Symmetrize density (0.02796s) started
T12 << 1462276740.55087590 Symmetrize density (0.02803s) stopped
T12 << 1462276740.55296707 Pseudo density (4218.37893s) stopped
T12 >> 1462276740.55302310 Atomic density matrices (1071.55564s) started
T12 << 1462276743.90266609 Atomic density matrices (1074.90528s) stopped
T12 >> 1462276743.90269899 Multipole moments (3.46407s) started
T12 << 1462276743.91533089 Multipole moments (3.47670s) stopped
T12 >> 1462276743.91535997 Normalize (2.25368s) started
T12 << 1462276743.92175293 Normalize (2.26007s) stopped
T12 >> 1462276743.92180490 Mix (141.17627s) started
T12 << 1462276744.34341097 Mix (141.59788s) stopped
T12 << 1462276744.34346104 Density (5440.64425s) stopped
T12 >> 1462276744.34348798 Hamiltonian (15439.29589s) started
T12 >> 1462276744.34350204 vbar (9.08936s) started
T12 << 1462276744.36766100 vbar (9.11352s) stopped
T12 >> 1462276744.36776090 XC 3D grid (9374.87857s) started
T12 >> 1462276744.94574094 van der Waals (9058.38079s) started
T12 >> 1462276745.05396390 semilocal (1909.79890s) started
T12 << 1462276750.75909209 semilocal (1915.50402s) stopped
T12 >> 1462276750.84492612 redistribute (972.93587s) started
T12 << 1462276751.91358089 redistribute (974.00453s) stopped
T12 >> 1462276751.91365910 libvdwxc nonlocal (6112.42914s) started
T12 << 1462276770.06508803 libvdwxc nonlocal (6130.58057s) stopped
T12 >> 1462276770.06515002 redistribute (974.00459s) started
T12 << 1462276771.80958891 redistribute (975.74902s) stopped
T12 << 1462276771.81077600 van der Waals (9085.24582s) stopped
T12 << 1462276772.26981997 XC 3D grid (9402.78063s) stopped
T12 >> 1462276772.26987100 Poisson (2107.70763s) started
T12 << 1462276776.56501007 Poisson (2112.00277s) stopped
T12 >> 1462276776.56516290 Hartree integrate/restrict (122.09664s) started
T12 << 1462276776.60829806 Hartree integrate/restrict (122.13977s) stopped
T12 >> 1462276776.60837102 Hartree integrate/restrict (122.13982s) started
T12 << 1462276776.91240311 Hartree integrate/restrict (122.44386s) stopped
T12 >> 1462276776.91256499 Atomic (789.86848s) started
T12 >> 1462276776.91435194 XC Correction (0.01082s) started
T12 << 1462276776.91436791 XC Correction (0.01084s) stopped
T12 << 1462276779.33288193 Atomic (792.28880s) stopped
T12 >> 1462276779.33297992 Communicate (3035.50866s) started
T12 << 1462276792.50456405 Communicate (3048.68025s) stopped
T12 << 1462276792.50460505 Hamiltonian (15487.45700s) stopped
T12 >> 1462276792.50463200 LCAO eigensolver (22479.11272s) started
T12 >> 1462276792.50464606 Potential matrix (339.72080s) started
T12 << 1462276793.45655799 Potential matrix (340.67271s) stopped
T12 >> 1462276793.45665312 DistributedAtomicCorrection (135.52884s) started
T12 << 1462276793.86601591 DistributedAtomicCorrection (135.93820s) stopped
T12 >> 1462276793.86608100 Distribute overlap matrix (2473.47859s) started
T12 >> 1462276793.86610699 blocked summation (1391.56987s) started
T12 << 1462276798.00533509 blocked summation (1395.70910s) stopped
T12 >> 1462276798.01467896 Scalapack redistribute (1078.43810s) started
T12 << 1462276801.61111903 Scalapack redistribute (1082.03454s) stopped
T12 << 1462276801.61123300 Distribute overlap matrix (2481.22375s) stopped
T12 >> 1462276801.61570907 Blacs Orbital Layouts (18914.10941s) started
T12 >> 1462276801.62471104 General diagonalize (18838.00800s) started
T12 << 1462276853.48914695 General diagonalize (18889.87244s) stopped
T12 >> 1462276853.48920012 Redistribute coefs (2.81903s) started
T12 << 1462276853.49810290 Redistribute coefs (2.82793s) stopped
T12 >> 1462276853.49815106 Send coefs to domains (70.12590s) started
T12 << 1462276853.93360090 Send coefs to domains (70.56135s) stopped
T12 << 1462276853.93415689 Blacs Orbital Layouts (18966.42785s) stopped
T12 >> 1462276853.93418789 Calculate projections (614.54442s) started
T12 << 1462276855.71301603 Calculate projections (616.32325s) stopped
T12 << 1462276855.71341205 LCAO eigensolver (22542.32150s) stopped
T12 >> 1462276858.81165504 Density (5440.64426s) started
T12 >> 1462276858.81167006 Pseudo density (4218.37898s) started
T12 >> 1462276858.81402111 Calculate density matrix (3964.98665s) started
T12 << 1462276870.77966595 Calculate density matrix (3976.95230s) stopped
T12 >> 1462276870.77972198 Construct density (246.72581s) started
T12 << 1462276871.53069997 Construct density (247.47679s) stopped
T12 >> 1462276871.54719591 Symmetrize density (0.02805s) started
T12 << 1462276871.54727006 Symmetrize density (0.02812s) stopped
T12 << 1462276871.54976010 Pseudo density (4231.11707s) stopped
T12 >> 1462276871.54983211 Atomic density matrices (1074.90531s) started
T12 << 1462276874.90223289 Atomic density matrices (1078.25771s) stopped
T12 >> 1462276874.90227199 Multipole moments (3.47672s) started
T12 << 1462276874.91487288 Multipole moments (3.48932s) stopped
T12 >> 1462276874.91490507 Normalize (2.26011s) started
T12 << 1462276874.92174196 Normalize (2.26695s) stopped
T12 >> 1462276874.92178512 Mix (141.59793s) started
T12 << 1462276875.34422898 Mix (142.02037s) stopped
T12 << 1462276875.34427404 Density (5457.17688s) stopped
T12 >> 1462276875.34429908 Hamiltonian (15487.45702s) started
T12 >> 1462276875.34431410 vbar (9.11358s) started
T12 << 1462276875.37414908 vbar (9.14341s) stopped
T12 >> 1462276875.37437201 XC 3D grid (9402.78068s) started
T12 >> 1462276875.85410810 van der Waals (9085.24586s) started
T12 >> 1462276875.96809506 semilocal (1915.50412s) started
T12 << 1462276881.69339490 semilocal (1921.22942s) stopped
T12 >> 1462276881.76821494 redistribute (975.74906s) started
T12 << 1462276882.79809403 redistribute (976.77894s) stopped
T12 >> 1462276882.79816699 libvdwxc nonlocal (6130.58062s) started
T12 << 1462276900.78554106 libvdwxc nonlocal (6148.56799s) stopped
T12 >> 1462276900.78561902 redistribute (976.77899s) started
T12 << 1462276903.83004189 redistribute (979.82342s) stopped
T12 << 1462276903.83121991 van der Waals (9113.22297s) stopped
T12 << 1462276904.29142189 XC 3D grid (9431.69773s) stopped
T12 >> 1462276904.29147410 Poisson (2112.00289s) started
T12 << 1462276908.58190107 Poisson (2116.29331s) stopped
T12 >> 1462276908.58200312 Hartree integrate/restrict (122.44391s) started
T12 << 1462276908.61919999 Hartree integrate/restrict (122.48111s) stopped
T12 >> 1462276908.61928606 Hartree integrate/restrict (122.48116s) started
T12 << 1462276908.93918991 Hartree integrate/restrict (122.80107s) stopped
T12 >> 1462276908.93935800 Atomic (792.28882s) started
T12 >> 1462276908.94111991 XC Correction (0.01085s) started
T12 << 1462276908.94113493 XC Correction (0.01086s) stopped
T12 << 1462276911.34815192 Atomic (794.69762s) stopped
T12 >> 1462276911.34824800 Communicate (3048.68027s) started
T12 << 1462276924.51112509 Communicate (3061.84315s) stopped
T12 << 1462276924.51116610 Hamiltonian (15536.62388s) stopped
T12 >> 1462276924.51119399 LCAO eigensolver (22542.32152s) started
T12 >> 1462276924.51120710 Potential matrix (340.67277s) started
T12 << 1462276925.46241689 Potential matrix (341.62398s) stopped
T12 >> 1462276925.46249795 DistributedAtomicCorrection (135.93824s) started
T12 << 1462276925.87725496 DistributedAtomicCorrection (136.35299s) stopped
T12 >> 1462276925.87732100 Distribute overlap matrix (2481.22376s) started
T12 >> 1462276925.87734604 blocked summation (1395.70913s) started
T12 << 1462276930.06427002 blocked summation (1399.89606s) stopped
T12 >> 1462276930.07521105 Scalapack redistribute (1082.03460s) started
T12 << 1462276933.49208403 Scalapack redistribute (1085.45147s) stopped
T12 << 1462276933.49220490 Distribute overlap matrix (2488.83864s) stopped
T12 >> 1462276933.49710894 Blacs Orbital Layouts (18966.42787s) started
T12 >> 1462276933.50601912 General diagonalize (18889.87248s) started
T12 << 1462276988.10279799 General diagonalize (18944.46926s) stopped
T12 >> 1462276988.10284305 Redistribute coefs (2.82797s) started
T12 << 1462276988.11136699 Redistribute coefs (2.83649s) stopped
T12 >> 1462276988.11140800 Send coefs to domains (70.56139s) started
T12 << 1462276988.34681892 Send coefs to domains (70.79680s) stopped
T12 << 1462276988.34739494 Blacs Orbital Layouts (19021.27816s) stopped
T12 >> 1462276988.34742403 Calculate projections (616.32331s) started
T12 << 1462276990.11656809 Calculate projections (618.09245s) stopped
T12 << 1462276990.11704803 LCAO eigensolver (22607.92738s) stopped
T12 >> 1462276993.21810198 Density (5457.17689s) started
T12 >> 1462276993.21811700 Pseudo density (4231.11712s) started
T12 >> 1462276993.22002912 Calculate density matrix (3976.95234s) started
T12 << 1462277005.17514896 Calculate density matrix (3988.90746s) stopped
T12 >> 1462277005.17519689 Construct density (247.47684s) started
T12 << 1462277005.92439508 Construct density (248.22604s) stopped
T12 >> 1462277005.93859911 Symmetrize density (0.02814s) started
T12 << 1462277005.93866301 Symmetrize density (0.02820s) stopped
T12 << 1462277005.94076300 Pseudo density (4243.83977s) stopped
T12 >> 1462277005.94082594 Atomic density matrices (1078.25774s) started
T12 << 1462277009.31149602 Atomic density matrices (1081.62841s) stopped
T12 >> 1462277009.31152892 Multipole moments (3.48934s) started
T12 << 1462277009.32421303 Multipole moments (3.50202s) stopped
T12 >> 1462277009.32424307 Normalize (2.26698s) started
T12 << 1462277009.33055997 Normalize (2.27330s) stopped
T12 >> 1462277009.33060694 Mix (142.02042s) started
T12 << 1462277009.82996511 Mix (142.51977s) stopped
T12 << 1462277009.83001709 Density (5473.78881s) stopped
T12 >> 1462277009.83004308 Hamiltonian (15536.62390s) started
T12 >> 1462277009.83005810 vbar (9.14354s) started
T12 << 1462277009.85520005 vbar (9.16868s) stopped
T12 >> 1462277009.85534000 XC 3D grid (9431.69777s) started
T12 >> 1462277010.34284902 van der Waals (9113.22299s) started
T12 >> 1462277010.45408201 semilocal (1921.22952s) started
T12 << 1462277016.24641204 semilocal (1927.02185s) stopped
T12 >> 1462277016.32436991 redistribute (979.82347s) started
T12 << 1462277017.29902792 redistribute (980.79813s) stopped
T12 >> 1462277017.29907107 libvdwxc nonlocal (6148.56805s) started
T12 << 1462277036.15011501 libvdwxc nonlocal (6167.41910s) stopped
T12 >> 1462277036.15017891 redistribute (980.79817s) started
T12 << 1462277038.57124400 redistribute (983.21923s) stopped
T12 << 1462277038.57231092 van der Waals (9141.45245s) stopped
T12 << 1462277039.03773999 XC 3D grid (9460.88017s) stopped
T12 >> 1462277039.03778791 Poisson (2116.29339s) started
T12 << 1462277042.10065103 Poisson (2119.35625s) stopped
T12 >> 1462277042.10071397 Hartree integrate/restrict (122.80112s) started
T12 << 1462277042.15628004 Hartree integrate/restrict (122.85669s) stopped
T12 >> 1462277042.15636611 Hartree integrate/restrict (122.85675s) started
T12 << 1462277042.46742892 Hartree integrate/restrict (123.16781s) stopped
T12 >> 1462277042.46757603 Atomic (794.69764s) started
T12 >> 1462277042.46940207 XC Correction (0.01087s) started
T12 << 1462277042.46943402 XC Correction (0.01090s) stopped
T12 << 1462277044.87856007 Atomic (797.10863s) stopped
T12 >> 1462277044.87864900 Communicate (3061.84318s) started
T12 << 1462277058.04077005 Communicate (3075.00530s) stopped
T12 << 1462277058.04082990 Hamiltonian (15584.83468s) stopped
T12 >> 1462277058.04085708 LCAO eigensolver (22607.92739s) started
T12 >> 1462277058.04087090 Potential matrix (341.62402s) started
T12 << 1462277058.98204803 Potential matrix (342.56520s) stopped
T12 >> 1462277058.98213196 DistributedAtomicCorrection (136.35303s) started
T12 << 1462277059.39203501 DistributedAtomicCorrection (136.76294s) stopped
T12 >> 1462277059.39209795 Distribute overlap matrix (2488.83866s) started
T12 >> 1462277059.39211988 blocked summation (1399.89611s) started
T12 << 1462277063.51563096 blocked summation (1404.01962s) stopped
T12 >> 1462277063.52525091 Scalapack redistribute (1085.45154s) started
T12 << 1462277067.11470199 Scalapack redistribute (1089.04099s) stopped
T12 << 1462277067.11481094 Distribute overlap matrix (2496.56137s) stopped
T12 >> 1462277067.11926603 Blacs Orbital Layouts (19021.27818s) started
T12 >> 1462277067.12795806 General diagonalize (18944.46930s) started
T12 << 1462277121.54302096 General diagonalize (18998.88436s) stopped
T12 >> 1462277121.54311299 Redistribute coefs (2.83652s) started
T12 << 1462277121.55229712 Redistribute coefs (2.84571s) stopped
T12 >> 1462277121.55233788 Send coefs to domains (70.79683s) started
T12 << 1462277122.09461188 Send coefs to domains (71.33911s) stopped
T12 << 1462277122.09513211 Blacs Orbital Layouts (19076.25405s) stopped
T12 >> 1462277122.09516191 Calculate projections (618.09250s) started
T12 << 1462277123.86423612 Calculate projections (619.86158s) stopped
T12 << 1462277123.86459494 LCAO eigensolver (22673.75113s) stopped
T12 << 1462277126.97498798 SCF-cycle (44867.45493s) stopped
T12 >> 1462277129.11843109 Force calculation (1726.95465s) started
T12 >> 1462277129.11850691 LCAO forces (1708.02371s) started
T12 >> 1462277129.11887002 Initial (0.00051s) started
T12 << 1462277129.11888194 Initial (0.00052s) stopped
T12 >> 1462277129.12503195 Get density matrix (901.89987s) started
T12 << 1462277138.25423503 Get density matrix (911.02907s) stopped
T12 >> 1462277138.25427890 Potential (136.48495s) started
T12 << 1462277144.25161791 Potential (142.48228s) stopped
T12 >> 1462277144.25167203 Get density matrix (911.02911s) started
T12 << 1462277175.14183402 Get density matrix (941.91927s) stopped
T12 >> 1462277175.14189196 Prepare TCI loop (47.62091s) started
T12 >> 1462277175.14238596 Get neighbors (43.22181s) started
T12 << 1462277177.01549101 Get neighbors (45.09491s) stopped
T12 >> 1462277177.01608109 broadcast dH (4.37421s) started
T12 << 1462277177.24628806 broadcast dH (4.60442s) stopped
T12 << 1462277177.24633098 Prepare TCI loop (49.72535s) stopped
T12 >> 1462277177.24635100 Not so complicated loop (2.65432s) started
T12 << 1462277177.35998392 Not so complicated loop (2.76795s) stopped
T12 >> 1462277177.47636390 Complicated loop (404.04191s) started
T12 << 1462277195.86682200 Complicated loop (422.43236s) stopped
T12 >> 1462277195.86852098 Wait for sum (212.54792s) started
T12 << 1462277205.87297797 Wait for sum (222.55238s) stopped
T12 << 1462277205.87301707 LCAO forces (1784.77822s) stopped
T12 << 1462277206.68776298 Force calculation (1804.52398s) stopped
T12 >> 1462277206.70553899 Initialization (2836.00861s) started
T12 << 1462277206.70570803 Initialization (2836.00878s) stopped
T12 >> 1462277206.70592690 Initialization (2836.00880s) started
T12 << 1462277206.70605803 Initialization (2836.00893s) stopped
T12 >> 1462277206.70619392 Initialization (2836.00894s) started
T12 << 1462277206.70632195 Initialization (2836.00907s) stopped
T12 >> 1462277227.01646090 Initialization (2836.00909s) started
T12 >> 1462277227.15692306 Basic WFS set positions (2.00447s) started
T12 >> 1462277227.15694904 Redistribute (0.01017s) started
T12 << 1462277227.15708089 Redistribute (0.01031s) stopped
T12 << 1462277227.24485397 Basic WFS set positions (2.09240s) stopped
T12 >> 1462277227.24487805 Basis functions set positions (40.99258s) started
T12 << 1462277229.09267712 Basis functions set positions (42.84038s) stopped
T12 >> 1462277229.09319091 TCI: Calculate S, T, P (346.55676s) started
T12 << 1462277244.21412611 TCI: Calculate S, T, P (361.67770s) stopped
T12 >> 1462277244.21418190 blocked summation (471.45332s) started
T12 << 1462277267.25966501 blocked summation (494.49881s) stopped
T12 >> 1462277267.27032709 Scalapack redistribute (179.66689s) started
T12 << 1462277275.68898010 Scalapack redistribute (188.08554s) stopped
T12 >> 1462277275.69006991 blocked summation (494.49888s) started
T12 << 1462277276.82435703 blocked summation (495.63317s) stopped
T12 >> 1462277276.83413005 Scalapack redistribute (188.08559s) started
T12 << 1462277277.04242897 Scalapack redistribute (188.29389s) stopped
T12 >> 1462277277.04444909 Redistribute (0.08008s) started
T12 << 1462277277.04498601 Redistribute (0.08062s) stopped
T12 >> 1462277278.72620606 Redistribute (0.08064s) started
T12 << 1462277278.72666311 Redistribute (0.08110s) stopped
T12 >> 1462277278.74306011 LCAO WFS Initialize (1747.31986s) started
T12 >> 1462277278.74314499 Density initialize from wavefunctions (326.81807s) started
T12 >> 1462277278.74987507 Calculate density matrix (227.47504s) started
T12 << 1462277288.73160696 Calculate density matrix (237.45677s) stopped
T12 >> 1462277288.73165488 Construct density (17.08494s) started
T12 << 1462277289.48072100 Construct density (17.83401s) stopped
T12 >> 1462277289.49515700 Symmetrize density (0.00182s) started
T12 << 1462277289.49521303 Symmetrize density (0.00188s) stopped
T12 << 1462277293.19459605 Density initialize from wavefunctions (341.26952s) stopped
T12 >> 1462277293.19483590 Hamiltonian (1419.58162s) started
T12 >> 1462277293.19485402 vbar (0.68597s) started
T12 << 1462277293.22621298 vbar (0.71733s) stopped
T12 >> 1462277293.22641993 XC 3D grid (689.83427s) started
T12 >> 1462277293.70258188 van der Waals (666.90332s) started
T12 >> 1462277293.81250095 semilocal (139.14199s) started
T12 << 1462277299.55578899 semilocal (144.88528s) stopped
T12 >> 1462277299.64116192 redistribute (79.33568s) started
T12 << 1462277300.72592711 redistribute (80.42045s) stopped
T12 >> 1462277300.72597408 libvdwxc nonlocal (443.82591s) started
T12 << 1462277318.99315596 libvdwxc nonlocal (462.09310s) stopped
T12 >> 1462277318.99319792 redistribute (80.42048s) started
T12 << 1462277321.51393199 redistribute (82.94121s) stopped
T12 << 1462277321.51491499 van der Waals (694.71565s) stopped
T12 << 1462277321.97397089 XC 3D grid (718.58183s) stopped
T12 >> 1462277321.97401810 Poisson (384.98092s) started
T12 << 1462277337.69735003 Poisson (400.70425s) stopped
T12 >> 1462277337.69749093 Hartree integrate/restrict (8.85275s) started
T12 << 1462277337.74013400 Hartree integrate/restrict (8.89539s) stopped
T12 >> 1462277337.74021792 Hartree integrate/restrict (8.89545s) started
T12 << 1462277338.11896610 Hartree integrate/restrict (9.27420s) stopped
T12 >> 1462277338.11910009 Atomic (56.54296s) started
T12 >> 1462277338.12121701 XC Correction (0.00098s) started
T12 << 1462277338.12125492 XC Correction (0.00102s) stopped
T12 << 1462277340.49073792 Atomic (58.91459s) stopped
T12 >> 1462277340.49091005 Communicate (278.64840s) started
T12 << 1462277356.25001502 Communicate (294.40751s) stopped
T12 << 1462277356.25005388 Hamiltonian (1482.63684s) stopped
T12 << 1462277356.25006890 LCAO WFS Initialize (1824.82687s) stopped
T12 << 1462277356.26212811 Initialization (2965.25476s) stopped
T12 >> 1462277356.28791499 SCF-cycle (44867.45494s) started
T12 >> 1462277356.28794789 LCAO eigensolver (22673.75115s) started
T12 >> 1462277356.28796101 Potential matrix (342.56525s) started
T12 << 1462277357.24203992 Potential matrix (343.51933s) stopped
T12 >> 1462277357.24211097 DistributedAtomicCorrection (136.76297s) started
T12 << 1462277357.64315605 DistributedAtomicCorrection (137.16402s) stopped
T12 >> 1462277357.64320397 Distribute overlap matrix (2496.56138s) started
T12 >> 1462277357.64323306 blocked summation (1404.01966s) started
T12 << 1462277361.80533791 blocked summation (1408.18176s) stopped
T12 >> 1462277361.81483293 Scalapack redistribute (1089.04105s) started
T12 << 1462277365.27026200 Scalapack redistribute (1092.49648s) stopped
T12 << 1462277365.27039099 Distribute overlap matrix (2504.18857s) stopped
T12 >> 1462277365.27468610 Blacs Orbital Layouts (19076.25407s) started
T12 >> 1462277365.28356290 General diagonalize (18998.88444s) started
T12 << 1462277417.93033910 General diagonalize (19051.53122s) stopped
T12 >> 1462277417.93039894 Redistribute coefs (2.84574s) started
T12 << 1462277417.93896508 Redistribute coefs (2.85430s) stopped
T12 >> 1462277417.93901706 Send coefs to domains (71.33914s) started
T12 << 1462277418.06712008 Send coefs to domains (71.46725s) stopped
T12 << 1462277418.06752896 Blacs Orbital Layouts (19129.04691s) stopped
T12 >> 1462277418.06755996 Calculate projections (619.86163s) started
T12 << 1462277419.84942794 Calculate projections (621.64350s) stopped
T12 << 1462277419.84966993 LCAO eigensolver (22737.31287s) stopped
T12 >> 1462277422.96281195 Density (5473.78882s) started
T12 >> 1462277422.96282792 Pseudo density (4243.83982s) started
T12 >> 1462277422.96584201 Calculate density matrix (3988.90749s) started
T12 << 1462277434.89933491 Calculate density matrix (4000.84098s) stopped
T12 >> 1462277434.89938998 Construct density (248.22609s) started
T12 << 1462277435.65007401 Construct density (248.97678s) stopped
T12 >> 1462277435.66720891 Symmetrize density (0.02822s) started
T12 << 1462277435.66728401 Symmetrize density (0.02830s) stopped
T12 << 1462277435.66978192 Pseudo density (4256.54677s) stopped
T12 >> 1462277435.66985512 Atomic density matrices (1081.62843s) started
T12 << 1462277439.07673502 Atomic density matrices (1085.03531s) stopped
T12 >> 1462277439.07677102 Multipole moments (3.50204s) started
T12 << 1462277439.08913112 Multipole moments (3.51440s) stopped
T12 >> 1462277439.08915496 Normalize (2.27333s) started
T12 << 1462277439.09594297 Normalize (2.28012s) stopped
T12 >> 1462277439.09599090 Mix (142.51983s) started
T12 << 1462277439.44756293 Mix (142.87140s) stopped
T12 << 1462277439.44762111 Density (5490.27363s) stopped
T12 >> 1462277439.44764590 Hamiltonian (15584.83470s) started
T12 >> 1462277439.44765997 vbar (9.16876s) started
T12 << 1462277439.46743608 vbar (9.18854s) stopped
T12 >> 1462277439.46753311 XC 3D grid (9460.88020s) started
T12 >> 1462277440.06303191 van der Waals (9141.45248s) started
T12 >> 1462277440.16797209 semilocal (1927.02193s) started
T12 << 1462277445.93057704 semilocal (1932.78453s) stopped
T12 >> 1462277446.00833988 redistribute (983.21929s) started
T12 << 1462277447.04743099 redistribute (984.25838s) stopped
T12 >> 1462277447.04749703 libvdwxc nonlocal (6167.41915s) started
T12 << 1462277465.27164292 libvdwxc nonlocal (6185.64329s) stopped
T12 >> 1462277465.27170706 redistribute (984.25844s) started
T12 << 1462277467.00647998 redistribute (985.99321s) stopped
T12 << 1462277467.00765610 van der Waals (9168.39711s) stopped
T12 << 1462277467.47073388 XC 3D grid (9488.88341s) stopped
T12 >> 1462277467.47077608 Poisson (2119.35630s) started
T12 << 1462277473.31661701 Poisson (2125.20214s) stopped
T12 >> 1462277473.31668591 Hartree integrate/restrict (123.16787s) started
T12 << 1462277473.36465907 Hartree integrate/restrict (123.21584s) stopped
T12 >> 1462277473.36475611 Hartree integrate/restrict (123.21591s) started
T12 << 1462277473.65855408 Hartree integrate/restrict (123.50970s) stopped
T12 >> 1462277473.65869594 Atomic (797.10865s) started
T12 >> 1462277473.66064692 XC Correction (0.01092s) started
T12 << 1462277473.66066504 XC Correction (0.01093s) stopped
T12 << 1462277476.07655811 Atomic (799.52651s) stopped
T12 >> 1462277476.07673192 Communicate (3075.00535s) started
T12 << 1462277491.79423189 Communicate (3090.72285s) stopped
T12 << 1462277491.79426599 Hamiltonian (15637.18132s) stopped
T12 >> 1462277491.79429102 LCAO eigensolver (22737.31289s) started
T12 >> 1462277491.79430389 Potential matrix (343.51937s) started
T12 << 1462277492.75323296 Potential matrix (344.47830s) stopped
T12 >> 1462277492.75331903 DistributedAtomicCorrection (137.16406s) started
T12 << 1462277493.14682698 DistributedAtomicCorrection (137.55756s) stopped
T12 >> 1462277493.14687395 Distribute overlap matrix (2504.18858s) started
T12 >> 1462277493.14690208 blocked summation (1408.18181s) started
T12 << 1462277497.49530292 blocked summation (1412.53021s) stopped
T12 >> 1462277497.50431490 Scalapack redistribute (1092.49657s) started
T12 << 1462277500.78076792 Scalapack redistribute (1095.77302s) stopped
T12 << 1462277500.78087997 Distribute overlap matrix (2511.82259s) stopped
T12 >> 1462277500.78486300 Blacs Orbital Layouts (19129.04693s) started
T12 >> 1462277500.79386210 General diagonalize (19051.53126s) started
T12 << 1462277555.63194609 General diagonalize (19106.36935s) stopped
T12 >> 1462277555.63199306 Redistribute coefs (2.85434s) started
T12 << 1462277555.63966489 Redistribute coefs (2.86201s) stopped
T12 >> 1462277555.63973808 Send coefs to domains (71.46729s) started
T12 << 1462277556.33412290 Send coefs to domains (72.16167s) stopped
T12 << 1462277556.33457088 Blacs Orbital Layouts (19184.59664s) stopped
T12 >> 1462277556.33459806 Calculate projections (621.64355s) started
T12 << 1462277558.10259700 Calculate projections (623.41155s) stopped
T12 << 1462277558.10278606 LCAO eigensolver (22803.62139s) stopped
T12 >> 1462277561.21280408 Density (5490.27364s) started
T12 >> 1462277561.21282005 Pseudo density (4256.54683s) started
T12 >> 1462277561.21538901 Calculate density matrix (4000.84102s) started
T12 << 1462277573.17379189 Calculate density matrix (4012.79942s) stopped
T12 >> 1462277573.17384410 Construct density (248.97684s) started
T12 << 1462277573.92340112 Construct density (249.72639s) stopped
T12 >> 1462277573.93828702 Symmetrize density (0.02832s) started
T12 << 1462277573.93835402 Symmetrize density (0.02838s) stopped
T12 << 1462277573.94041610 Pseudo density (4269.27443s) stopped
T12 >> 1462277573.94047189 Atomic density matrices (1085.03534s) started
T12 << 1462277577.34686804 Atomic density matrices (1088.44174s) stopped
T12 >> 1462277577.34689903 Multipole moments (3.51441s) started
T12 << 1462277577.35938811 Multipole moments (3.52690s) stopped
T12 >> 1462277577.35941100 Normalize (2.28015s) started
T12 << 1462277577.36555195 Normalize (2.28629s) stopped
T12 >> 1462277577.36561108 Mix (142.87146s) started
T12 << 1462277577.75096893 Mix (143.25681s) stopped
T12 << 1462277577.75101805 Density (5506.81186s) stopped
T12 >> 1462277577.75104308 Hamiltonian (15637.18133s) started
T12 >> 1462277577.75105691 vbar (9.18859s) started
T12 << 1462277577.77180696 vbar (9.20934s) stopped
T12 >> 1462277577.77193999 XC 3D grid (9488.88344s) started
T12 >> 1462277578.27302504 van der Waals (9168.39713s) started
T12 >> 1462277578.38319397 semilocal (1932.78462s) started
T12 << 1462277584.20478392 semilocal (1938.60621s) stopped
T12 >> 1462277584.28343797 redistribute (985.99326s) started
T12 << 1462277585.27210212 redistribute (986.98193s) stopped
T12 >> 1462277585.27214503 libvdwxc nonlocal (6185.64334s) started
T12 << 1462277603.66757488 libvdwxc nonlocal (6204.03877s) stopped
T12 >> 1462277603.66763902 redistribute (986.98196s) started
T12 << 1462277605.86009693 redistribute (989.17442s) stopped
T12 << 1462277605.86140990 van der Waals (9195.98551s) stopped
T12 << 1462277606.32613897 XC 3D grid (9517.43764s) stopped
T12 >> 1462277606.32620096 Poisson (2125.20219s) started
T12 << 1462277613.65875506 Poisson (2132.53474s) stopped
T12 >> 1462277613.65889192 Hartree integrate/restrict (123.50975s) started
T12 << 1462277613.70272398 Hartree integrate/restrict (123.55359s) stopped
T12 >> 1462277613.70280910 Hartree integrate/restrict (123.55364s) started
T12 << 1462277614.03493595 Hartree integrate/restrict (123.88577s) stopped
T12 >> 1462277614.03507996 Atomic (799.52653s) started
T12 >> 1462277614.03678393 XC Correction (0.01095s) started
T12 << 1462277614.03680396 XC Correction (0.01097s) stopped
T12 << 1462277616.45689511 Atomic (801.94835s) stopped
T12 >> 1462277616.45706105 Communicate (3090.72287s) started
T12 << 1462277632.15476799 Communicate (3106.42058s) stopped
T12 << 1462277632.15480089 Hamiltonian (15691.58509s) stopped
T12 >> 1462277632.15482402 LCAO eigensolver (22803.62141s) started
T12 >> 1462277632.15484905 Potential matrix (344.47835s) started
T12 << 1462277633.10550690 Potential matrix (345.42901s) stopped
T12 >> 1462277633.10558105 DistributedAtomicCorrection (137.55760s) started
T12 << 1462277633.49460006 DistributedAtomicCorrection (137.94662s) stopped
T12 >> 1462277633.49464607 Distribute overlap matrix (2511.82260s) started
T12 >> 1462277633.49467397 blocked summation (1412.53026s) started
T12 << 1462277637.85111403 blocked summation (1416.88670s) stopped
T12 >> 1462277637.86166906 Scalapack redistribute (1095.77309s) started
T12 << 1462277641.12445593 Scalapack redistribute (1099.03587s) stopped
T12 << 1462277641.12453198 Distribute overlap matrix (2519.45249s) stopped
T12 >> 1462277641.12893391 Blacs Orbital Layouts (19184.59665s) started
T12 >> 1462277641.13786793 General diagonalize (19106.36938s) started
T12 << 1462277696.07897401 General diagonalize (19161.31049s) stopped
T12 >> 1462277696.07902503 Redistribute coefs (2.86207s) started
T12 << 1462277696.08704495 Redistribute coefs (2.87009s) stopped
T12 >> 1462277696.08709407 Send coefs to domains (72.16170s) started
T12 << 1462277696.18666291 Send coefs to domains (72.26127s) stopped
T12 << 1462277696.18715096 Blacs Orbital Layouts (19239.65487s) stopped
T12 >> 1462277696.18718100 Calculate projections (623.41160s) started
T12 << 1462277697.96742296 Calculate projections (625.19185s) stopped
T12 << 1462277697.96765995 LCAO eigensolver (22869.43424s) stopped
T12 >> 1462277701.08900905 Density (5506.81187s) started
T12 >> 1462277701.08902502 Pseudo density (4269.27447s) started
T12 >> 1462277701.09205699 Calculate density matrix (4012.79946s) started
T12 << 1462277713.03691411 Calculate density matrix (4024.74431s) stopped
T12 >> 1462277713.03696990 Construct density (249.72645s) started
T12 << 1462277713.78918099 Construct density (250.47866s) stopped
T12 >> 1462277713.80673909 Symmetrize density (0.02840s) started
T12 << 1462277713.80681705 Symmetrize density (0.02848s) stopped
T12 << 1462277713.80927801 Pseudo density (4281.99473s) stopped
T12 >> 1462277713.80934501 Atomic density matrices (1088.44176s) started
T12 << 1462277717.20653296 Atomic density matrices (1091.83895s) stopped
T12 >> 1462277717.20656896 Multipole moments (3.52692s) started
T12 << 1462277717.21963692 Multipole moments (3.53998s) stopped
T12 >> 1462277717.21966100 Normalize (2.28633s) started
T12 << 1462277717.22756505 Normalize (2.29424s) stopped
T12 >> 1462277717.22762704 Mix (143.25686s) started
T12 << 1462277717.62598109 Mix (143.65522s) stopped
T12 << 1462277717.62601399 Density (5523.34888s) stopped
T12 >> 1462277717.62603807 Hamiltonian (15691.58510s) started
T12 >> 1462277717.62605309 vbar (9.20942s) started
T12 << 1462277717.65913510 vbar (9.24250s) stopped
T12 >> 1462277717.65934992 XC 3D grid (9517.43769s) started
T12 >> 1462277718.12711096 van der Waals (9195.98555s) started
T12 >> 1462277718.24220204 semilocal (1938.60630s) started
T12 << 1462277723.99815011 semilocal (1944.36224s) stopped
T12 >> 1462277724.07739305 redistribute (989.17446s) started
T12 << 1462277725.12080598 redistribute (990.21787s) stopped
T12 >> 1462277725.12085891 libvdwxc nonlocal (6204.03882s) started
T12 << 1462277743.02320004 libvdwxc nonlocal (6221.94116s) stopped
T12 >> 1462277743.02325201 redistribute (990.21791s) started
T12 << 1462277744.94549108 redistribute (992.14015s) stopped
T12 << 1462277744.94653010 van der Waals (9222.80497s) stopped
T12 << 1462277745.41579294 XC 3D grid (9545.19413s) stopped
T12 >> 1462277745.41585708 Poisson (2132.53485s) started
T12 << 1462277756.88769603 Poisson (2144.00669s) stopped
T12 >> 1462277756.88780403 Hartree integrate/restrict (123.88582s) started
T12 << 1462277756.92665696 Hartree integrate/restrict (123.92468s) stopped
T12 >> 1462277756.92674208 Hartree integrate/restrict (123.92473s) started
T12 << 1462277757.24320698 Hartree integrate/restrict (124.24120s) stopped
T12 >> 1462277757.24337101 Atomic (801.94837s) started
T12 >> 1462277757.24524689 XC Correction (0.01098s) started
T12 << 1462277757.24527192 XC Correction (0.01100s) stopped
T12 << 1462277759.66781211 Atomic (804.37281s) stopped
T12 >> 1462277759.66799212 Communicate (3106.42060s) started
T12 << 1462277774.78622293 Communicate (3121.53883s) stopped
T12 << 1462277774.78626204 Hamiltonian (15748.74532s) stopped
T12 >> 1462277774.78628707 LCAO eigensolver (22869.43426s) started
T12 >> 1462277774.78629994 Potential matrix (345.42905s) started
T12 << 1462277775.73563099 Potential matrix (346.37839s) stopped
T12 >> 1462277775.73572803 DistributedAtomicCorrection (137.94666s) started
T12 << 1462277776.12981296 DistributedAtomicCorrection (138.34075s) stopped
T12 >> 1462277776.12986588 Distribute overlap matrix (2519.45250s) started
T12 >> 1462277776.12989902 blocked summation (1416.88676s) started
T12 << 1462277780.32879901 blocked summation (1421.08566s) stopped
T12 >> 1462277780.33852005 Scalapack redistribute (1099.03591s) started
T12 << 1462277783.67685390 Scalapack redistribute (1102.37425s) stopped
T12 << 1462277783.67697191 Distribute overlap matrix (2526.99961s) stopped
T12 >> 1462277783.68140411 Blacs Orbital Layouts (19239.65489s) started
T12 >> 1462277783.69021797 General diagonalize (19161.31053s) started
T12 << 1462277838.39619303 General diagonalize (19216.01651s) stopped
T12 >> 1462277838.39626288 Redistribute coefs (2.87013s) started
T12 << 1462277838.40437794 Redistribute coefs (2.87824s) stopped
T12 >> 1462277838.40442801 Send coefs to domains (72.26131s) started
T12 << 1462277838.49427700 Send coefs to domains (72.35116s) stopped
T12 << 1462277838.49498510 Blacs Orbital Layouts (19294.46847s) stopped
T12 >> 1462277838.49501491 Calculate projections (625.19190s) started
T12 << 1462277840.27423692 Calculate projections (626.97113s) stopped
T12 << 1462277840.27465510 LCAO eigensolver (22934.92263s) stopped
T12 >> 1462277843.39236593 Density (5523.34889s) started
T12 >> 1462277843.39238191 Pseudo density (4281.99478s) started
T12 >> 1462277843.39522505 Calculate density matrix (4024.74435s) started
T12 << 1462277855.29167509 Calculate density matrix (4036.64080s) stopped
T12 >> 1462277855.29173207 Construct density (250.47871s) started
T12 << 1462277856.04142594 Construct density (251.22841s) stopped
T12 >> 1462277856.05748606 Symmetrize density (0.02850s) started
T12 << 1462277856.05755305 Symmetrize density (0.02857s) stopped
T12 << 1462277856.06002212 Pseudo density (4294.66242s) stopped
T12 >> 1462277856.06009007 Atomic density matrices (1091.83898s) started
T12 << 1462277859.45268893 Atomic density matrices (1095.23158s) stopped
T12 >> 1462277859.45272398 Multipole moments (3.54000s) started
T12 << 1462277859.46583700 Multipole moments (3.55311s) stopped
T12 >> 1462277859.46586800 Normalize (2.29429s) started
T12 << 1462277859.47237492 Normalize (2.30079s) stopped
T12 >> 1462277859.47241902 Mix (143.65525s) started
T12 << 1462277859.90456200 Mix (144.08739s) stopped
T12 << 1462277859.90461397 Density (5539.86114s) stopped
T12 >> 1462277859.90464091 Hamiltonian (15748.74534s) started
T12 >> 1462277859.90465593 vbar (9.24263s) started
T12 << 1462277859.92679501 vbar (9.26477s) stopped
T12 >> 1462277859.92693806 XC 3D grid (9545.19419s) started
T12 >> 1462277860.41471696 van der Waals (9222.80499s) started
T12 >> 1462277860.52798009 semilocal (1944.36234s) started
T12 << 1462277866.33503294 semilocal (1950.16939s) stopped
T12 >> 1462277866.41017199 redistribute (992.14021s) started
T12 << 1462277867.38710189 redistribute (993.11714s) stopped
T12 >> 1462277867.38715291 libvdwxc nonlocal (6221.94120s) started
T12 << 1462277885.47618604 libvdwxc nonlocal (6240.03023s) stopped
T12 >> 1462277885.47623706 redistribute (993.11718s) started
T12 << 1462277887.44466209 redistribute (995.08561s) stopped
T12 << 1462277887.44578695 van der Waals (9249.83606s) stopped
T12 << 1462277887.90961790 XC 3D grid (9573.17687s) stopped
T12 >> 1462277887.90966296 Poisson (2144.00677s) started
T12 << 1462277893.66043496 Poisson (2149.75755s) stopped
T12 >> 1462277893.66051793 Hartree integrate/restrict (124.24125s) started
T12 << 1462277893.70176005 Hartree integrate/restrict (124.28249s) stopped
T12 >> 1462277893.70189810 Hartree integrate/restrict (124.28261s) started
T12 << 1462277894.01567411 Hartree integrate/restrict (124.59638s) stopped
T12 >> 1462277894.01584196 Atomic (804.37284s) started
T12 >> 1462277894.01768994 XC Correction (0.01102s) started
T12 << 1462277894.01771903 XC Correction (0.01104s) stopped
T12 << 1462277896.44196105 Atomic (806.79896s) stopped
T12 >> 1462277896.44213605 Communicate (3121.53885s) started
T12 << 1462277910.38737607 Communicate (3135.48409s) stopped
T12 << 1462277910.38741803 Hamiltonian (15799.22811s) stopped
T12 >> 1462277910.38744497 LCAO eigensolver (22934.92265s) started
T12 >> 1462277910.38745809 Potential matrix (346.37844s) started
T12 << 1462277911.33554506 Potential matrix (347.32653s) stopped
T12 >> 1462277911.33563590 DistributedAtomicCorrection (138.34079s) started
T12 << 1462277911.72548604 DistributedAtomicCorrection (138.73064s) stopped
T12 >> 1462277911.72553396 Distribute overlap matrix (2526.99962s) started
T12 >> 1462277911.72556710 blocked summation (1421.08570s) started
T12 << 1462277915.90108204 blocked summation (1425.26121s) stopped
T12 >> 1462277915.91160703 Scalapack redistribute (1102.37431s) started
T12 << 1462277919.44479609 Scalapack redistribute (1105.90750s) stopped
T12 << 1462277919.44491911 Distribute overlap matrix (2534.71900s) stopped
T12 >> 1462277919.44931507 Blacs Orbital Layouts (19294.46849s) started
T12 >> 1462277919.45792603 General diagonalize (19216.01657s) started
T12 << 1462277971.05157900 General diagonalize (19267.61022s) stopped
T12 >> 1462277971.05165601 Redistribute coefs (2.87828s) started
T12 << 1462277971.05967212 Redistribute coefs (2.88630s) stopped
T12 >> 1462277971.05972099 Send coefs to domains (72.35120s) started
T12 << 1462277971.14743900 Send coefs to domains (72.43892s) stopped
T12 << 1462277971.14813209 Blacs Orbital Layouts (19346.16731s) stopped
T12 >> 1462277971.14816093 Calculate projections (626.97118s) started
T12 << 1462277972.92949891 Calculate projections (628.75252s) stopped
T12 << 1462277972.92989707 LCAO eigensolver (22997.46510s) stopped
T12 >> 1462277976.04119706 Density (5539.86115s) started
T12 >> 1462277976.04121304 Pseudo density (4294.66247s) started
T12 >> 1462277976.04406810 Calculate density matrix (4036.64084s) started
T12 << 1462277987.91419101 Calculate density matrix (4048.51096s) stopped
T12 >> 1462277987.91424799 Construct density (251.22846s) started
T12 << 1462277988.66467404 Construct density (251.97889s) stopped
T12 >> 1462277988.68096089 Symmetrize density (0.02859s) started
T12 << 1462277988.68102694 Symmetrize density (0.02865s) stopped
T12 << 1462277988.68348193 Pseudo density (4307.30474s) stopped
T12 >> 1462277988.68355107 Atomic density matrices (1095.23160s) started
T12 << 1462277992.12614608 Atomic density matrices (1098.67420s) stopped
T12 >> 1462277992.12618208 Multipole moments (3.55313s) started
T12 << 1462277992.13919997 Multipole moments (3.56615s) stopped
T12 >> 1462277992.13923097 Normalize (2.30082s) started
T12 << 1462277992.14573097 Normalize (2.30732s) stopped
T12 >> 1462277992.14577794 Mix (144.08744s) started
T12 << 1462277992.57190108 Mix (144.51356s) stopped
T12 << 1462277992.57195210 Density (5556.39191s) stopped
T12 >> 1462277992.57197905 Hamiltonian (15799.22813s) started
T12 >> 1462277992.57199502 vbar (9.26485s) started
T12 << 1462277992.60340810 vbar (9.29626s) stopped
T12 >> 1462277992.60362911 XC 3D grid (9573.17690s) started
T12 >> 1462277993.06781411 van der Waals (9249.83609s) started
T12 >> 1462277993.18330193 semilocal (1950.16947s) started
T12 << 1462277998.99108005 semilocal (1955.97725s) stopped
T12 >> 1462277999.06531405 redistribute (995.08567s) started
T12 << 1462278000.04840302 redistribute (996.06876s) stopped
T12 >> 1462278000.04846501 libvdwxc nonlocal (6240.03027s) started
T12 << 1462278017.91675901 libvdwxc nonlocal (6257.89856s) stopped
T12 >> 1462278017.91686010 redistribute (996.06880s) started
T12 << 1462278019.88362503 redistribute (998.03557s) stopped
T12 << 1462278019.88484406 van der Waals (9276.65312s) stopped
T12 << 1462278020.35465693 XC 3D grid (9600.92793s) stopped
T12 >> 1462278020.35470700 Poisson (2149.75761s) started
T12 << 1462278026.06364703 Poisson (2155.46655s) stopped
T12 >> 1462278026.06372690 Hartree integrate/restrict (124.59644s) started
T12 << 1462278026.10328293 Hartree integrate/restrict (124.63599s) stopped
T12 >> 1462278026.10336208 Hartree integrate/restrict (124.63604s) started
T12 << 1462278026.45105004 Hartree integrate/restrict (124.98373s) stopped
T12 >> 1462278026.45117497 Atomic (806.79898s) started
T12 >> 1462278026.45299101 XC Correction (0.01106s) started
T12 << 1462278026.45300794 XC Correction (0.01107s) stopped
T12 << 1462278028.84904695 Atomic (809.19685s) stopped
T12 >> 1462278028.84920597 Communicate (3135.48412s) started
T12 << 1462278042.36971807 Communicate (3149.00463s) stopped
T12 << 1462278042.36976004 Hamiltonian (15849.02591s) stopped
T12 >> 1462278042.36978698 LCAO eigensolver (22997.46512s) started
T12 >> 1462278042.36980104 Potential matrix (347.32658s) started
T12 << 1462278043.32193995 Potential matrix (348.27872s) stopped
T12 >> 1462278043.32203293 DistributedAtomicCorrection (138.73068s) started
T12 << 1462278043.72074795 DistributedAtomicCorrection (139.12939s) stopped
T12 >> 1462278043.72080994 Distribute overlap matrix (2534.71902s) started
T12 >> 1462278043.72083807 blocked summation (1425.26125s) started
T12 << 1462278047.92643905 blocked summation (1429.46685s) stopped
T12 >> 1462278047.93552804 Scalapack redistribute (1105.90758s) started
T12 << 1462278051.30506396 Scalapack redistribute (1109.27711s) stopped
T12 << 1462278051.30514193 Distribute overlap matrix (2542.30335s) stopped
T12 >> 1462278051.30970693 Blacs Orbital Layouts (19346.16733s) started
T12 >> 1462278051.31844211 General diagonalize (19267.61028s) started
T12 << 1462278104.06530190 General diagonalize (19320.35714s) stopped
T12 >> 1462278104.06535602 Redistribute coefs (2.88634s) started
T12 << 1462278104.07277703 Redistribute coefs (2.89376s) stopped
T12 >> 1462278104.07286191 Send coefs to domains (72.43896s) started
T12 << 1462278104.16567111 Send coefs to domains (72.53177s) stopped
T12 << 1462278104.16606498 Blacs Orbital Layouts (19399.02368s) stopped
T12 >> 1462278104.16609597 Calculate projections (628.75258s) started
T12 << 1462278105.94547606 Calculate projections (630.53196s) stopped
T12 << 1462278105.94568396 LCAO eigensolver (23061.04102s) stopped
T12 >> 1462278109.06113291 Density (5556.39192s) started
T12 >> 1462278109.06115007 Pseudo density (4307.30480s) started
T12 >> 1462278109.06404901 Calculate density matrix (4048.51100s) started
T12 << 1462278121.07230210 Calculate density matrix (4060.51925s) stopped
T12 >> 1462278121.07235694 Construct density (251.97895s) started
T12 << 1462278121.82107902 Construct density (252.72767s) stopped
T12 >> 1462278121.83718395 Symmetrize density (0.02867s) started
T12 << 1462278121.83725095 Symmetrize density (0.02874s) stopped
T12 << 1462278121.83971596 Pseudo density (4320.08336s) stopped
T12 >> 1462278121.83978295 Atomic density matrices (1098.67423s) started
T12 << 1462278125.26218104 Atomic density matrices (1102.09662s) stopped
T12 >> 1462278125.26221895 Multipole moments (3.56617s) started
T12 << 1462278125.27510095 Multipole moments (3.57905s) stopped
T12 >> 1462278125.27513099 Normalize (2.30736s) started
T12 << 1462278125.28164005 Normalize (2.31387s) stopped
T12 >> 1462278125.28168607 Mix (144.51361s) started
T12 << 1462278125.71921706 Mix (144.95114s) stopped
T12 << 1462278125.71926999 Density (5573.05006s) stopped
T12 >> 1462278125.71929693 Hamiltonian (15849.02592s) started
T12 >> 1462278125.71931195 vbar (9.29638s) started
T12 << 1462278125.74403596 vbar (9.32111s) stopped
T12 >> 1462278125.74421597 XC 3D grid (9600.92797s) started
T12 >> 1462278126.21896505 van der Waals (9276.65314s) started
T12 >> 1462278126.33355808 semilocal (1955.97733s) started
T12 << 1462278132.13843989 semilocal (1961.78221s) stopped
T12 >> 1462278132.21171308 redistribute (998.03563s) started
T12 << 1462278133.18762589 redistribute (999.01154s) stopped
T12 >> 1462278133.18770289 libvdwxc nonlocal (6257.89862s) started
T12 << 1462278151.20104599 libvdwxc nonlocal (6275.91197s) stopped
T12 >> 1462278151.20111299 redistribute (999.01161s) started
T12 << 1462278153.98463297 redistribute (1001.79513s) stopped
T12 << 1462278153.98586392 van der Waals (9304.42004s) stopped
T12 << 1462278154.44396591 XC 3D grid (9629.62772s) stopped
T12 >> 1462278154.44401312 Poisson (2155.46660s) started
T12 << 1462278160.34845304 Poisson (2161.37104s) stopped
T12 >> 1462278160.34853792 Hartree integrate/restrict (124.98377s) started
T12 << 1462278160.38748288 Hartree integrate/restrict (125.02271s) stopped
T12 >> 1462278160.38756895 Hartree integrate/restrict (125.02276s) started
T12 << 1462278160.70452404 Hartree integrate/restrict (125.33972s) stopped
T12 >> 1462278160.70469308 Atomic (809.19688s) started
T12 >> 1462278160.70655489 XC Correction (0.01109s) started
T12 << 1462278160.70657992 XC Correction (0.01111s) stopped
T12 << 1462278163.13100910 Atomic (811.62319s) stopped
T12 >> 1462278163.13116002 Communicate (3149.00466s) started
T12 << 1462278176.69154310 Communicate (3162.56504s) stopped
T12 << 1462278176.69158292 Hamiltonian (15899.99820s) stopped
T12 >> 1462278176.69161201 LCAO eigensolver (23061.04104s) started
T12 >> 1462278176.69162512 Potential matrix (348.27877s) started
T12 << 1462278177.65158892 Potential matrix (349.23873s) stopped
T12 >> 1462278177.65168500 DistributedAtomicCorrection (139.12943s) started
T12 << 1462278178.05136895 DistributedAtomicCorrection (139.52912s) stopped
T12 >> 1462278178.05143094 Distribute overlap matrix (2542.30336s) started
T12 >> 1462278178.05145693 blocked summation (1429.46689s) started
T12 << 1462278182.26856995 blocked summation (1433.68400s) stopped
T12 >> 1462278182.27829695 Scalapack redistribute (1109.27715s) started
T12 << 1462278185.65770411 Scalapack redistribute (1112.65656s) stopped
T12 << 1462278185.65780306 Distribute overlap matrix (2549.90974s) stopped
T12 >> 1462278185.66239500 Blacs Orbital Layouts (19399.02370s) started
T12 >> 1462278185.67112803 General diagonalize (19320.35719s) started
T12 << 1462278240.28297496 General diagonalize (19374.96904s) stopped
T12 >> 1462278240.28305292 Redistribute coefs (2.89383s) started
T12 << 1462278240.29099202 Redistribute coefs (2.90176s) stopped
T12 >> 1462278240.29104090 Send coefs to domains (72.53181s) started
T12 << 1462278240.64767194 Send coefs to domains (72.88844s) stopped
T12 << 1462278240.64810395 Blacs Orbital Layouts (19454.00941s) stopped
T12 >> 1462278240.64813399 Calculate projections (630.53202s) started
T12 << 1462278242.42664695 Calculate projections (632.31053s) stopped
T12 << 1462278242.42686009 LCAO eigensolver (23126.77629s) stopped
T12 >> 1462278245.53106809 Density (5573.05007s) started
T12 >> 1462278245.53108406 Pseudo density (4320.08342s) started
T12 >> 1462278245.53414011 Calculate density matrix (4060.51929s) started
T12 << 1462278257.51276493 Calculate density matrix (4072.49792s) stopped
T12 >> 1462278257.51282406 Construct density (252.72773s) started
T12 << 1462278258.26329303 Construct density (253.47820s) stopped
T12 >> 1462278258.27943492 Symmetrize density (0.02876s) started
T12 << 1462278258.27949905 Symmetrize density (0.02882s) stopped
T12 << 1462278258.28197598 Pseudo density (4332.83431s) stopped
T12 >> 1462278258.28204608 Atomic density matrices (1102.09665s) started
T12 << 1462278261.55939507 Atomic density matrices (1105.37400s) stopped
T12 >> 1462278261.55943394 Multipole moments (3.57906s) started
T12 << 1462278261.57176900 Multipole moments (3.59140s) stopped
T12 >> 1462278261.57179999 Normalize (2.31390s) started
T12 << 1462278261.57837296 Normalize (2.32047s) stopped
T12 >> 1462278261.57841611 Mix (144.95120s) started
T12 << 1462278262.03961611 Mix (145.41240s) stopped
T12 << 1462278262.03967190 Density (5589.55867s) stopped
T12 >> 1462278262.03970098 Hamiltonian (15899.99822s) started
T12 >> 1462278262.03971601 vbar (9.32121s) started
T12 << 1462278262.06395411 vbar (9.34544s) stopped
T12 >> 1462278262.06408310 XC 3D grid (9629.62776s) started
T12 >> 1462278262.55645204 van der Waals (9304.42007s) started
T12 >> 1462278262.67379999 semilocal (1961.78229s) started
T12 << 1462278268.45186090 semilocal (1967.56036s) stopped
T12 >> 1462278268.52412605 redistribute (1001.79519s) started
T12 << 1462278269.55502009 redistribute (1002.82608s) stopped
T12 >> 1462278269.55509305 libvdwxc nonlocal (6275.91202s) started
T12 << 1462278287.63246489 libvdwxc nonlocal (6293.98939s) stopped
T12 >> 1462278287.63252401 redistribute (1002.82614s) started
T12 << 1462278290.10135508 redistribute (1005.29497s) stopped
T12 << 1462278290.10247111 van der Waals (9331.96609s) stopped
T12 << 1462278290.56312203 XC 3D grid (9658.12680s) stopped
T12 >> 1462278290.56316900 Poisson (2161.37111s) started
T12 << 1462278294.85439110 Poisson (2165.66233s) stopped
T12 >> 1462278294.85447907 Hartree integrate/restrict (125.33978s) started
T12 << 1462278294.89253592 Hartree integrate/restrict (125.37784s) stopped
T12 >> 1462278294.89261508 Hartree integrate/restrict (125.37789s) started
T12 << 1462278295.26507998 Hartree integrate/restrict (125.75035s) stopped
T12 >> 1462278295.26524901 Atomic (811.62322s) started
T12 >> 1462278295.26705790 XC Correction (0.01113s) started
T12 << 1462278295.26707602 XC Correction (0.01114s) stopped
T12 << 1462278297.68054605 Atomic (814.03851s) stopped
T12 >> 1462278297.68068099 Communicate (3162.56507s) started
T12 << 1462278311.28341699 Communicate (3176.16781s) stopped
T12 << 1462278311.28345704 Hamiltonian (15949.24198s) stopped
T12 >> 1462278311.28348494 LCAO eigensolver (23126.77631s) started
T12 >> 1462278311.28349805 Potential matrix (349.23879s) started
T12 << 1462278312.23720908 Potential matrix (350.19250s) stopped
T12 >> 1462278312.23730206 DistributedAtomicCorrection (139.52916s) started
T12 << 1462278312.63610196 DistributedAtomicCorrection (139.92796s) stopped
T12 >> 1462278312.63616395 Distribute overlap matrix (2549.90975s) started
T12 >> 1462278312.63618803 blocked summation (1433.68404s) started
T12 << 1462278316.82251596 blocked summation (1437.87036s) stopped
T12 >> 1462278316.83145905 Scalapack redistribute (1112.65661s) started
T12 << 1462278320.24401808 Scalapack redistribute (1116.06917s) stopped
T12 << 1462278320.24409795 Distribute overlap matrix (2557.51768s) stopped
T12 >> 1462278320.24904299 Blacs Orbital Layouts (19454.00943s) started
T12 >> 1462278320.25797200 General diagonalize (19374.96910s) started
T12 << 1462278373.86491609 General diagonalize (19428.57605s) stopped
T12 >> 1462278373.86496806 Redistribute coefs (2.90180s) started
T12 << 1462278373.87239504 Redistribute coefs (2.90923s) stopped
T12 >> 1462278373.87248611 Send coefs to domains (72.88848s) started
T12 << 1462278374.29784799 Send coefs to domains (73.31384s) stopped
T12 << 1462278374.29830098 Blacs Orbital Layouts (19508.05869s) stopped
T12 >> 1462278374.29833007 Calculate projections (632.31059s) started
T12 << 1462278376.06612802 Calculate projections (634.07839s) stopped
T12 << 1462278376.06635809 LCAO eigensolver (23191.55918s) stopped
T12 >> 1462278379.18652296 Density (5589.55869s) started
T12 >> 1462278379.18653798 Pseudo density (4332.83436s) started
T12 >> 1462278379.18938994 Calculate density matrix (4072.49795s) started
T12 << 1462278391.06799006 Calculate density matrix (4084.37655s) stopped
T12 >> 1462278391.06803894 Construct density (253.47825s) started
T12 << 1462278391.81540895 Construct density (254.22562s) stopped
T12 >> 1462278391.82939291 Symmetrize density (0.02884s) started
T12 << 1462278391.82945108 Symmetrize density (0.02890s) stopped
T12 << 1462278391.83154511 Pseudo density (4345.47937s) stopped
T12 >> 1462278391.83160305 Atomic density matrices (1105.37403s) started
T12 << 1462278395.22967410 Atomic density matrices (1108.77210s) stopped
T12 >> 1462278395.22970796 Multipole moments (3.59142s) started
T12 << 1462278395.24270296 Multipole moments (3.60441s) stopped
T12 >> 1462278395.24273205 Normalize (2.32050s) started
T12 << 1462278395.24884796 Normalize (2.32662s) stopped
T12 >> 1462278395.24894691 Mix (145.41245s) started
T12 << 1462278395.65748191 Mix (145.82099s) stopped
T12 << 1462278395.65751004 Density (5606.02967s) stopped
T12 >> 1462278395.65753293 Hamiltonian (15949.24199s) started
T12 >> 1462278395.65754700 vbar (9.34552s) started
T12 << 1462278395.68149900 vbar (9.36947s) stopped
T12 >> 1462278395.68157101 XC 3D grid (9658.12684s) started
T12 >> 1462278396.18963909 van der Waals (9331.96611s) started
T12 >> 1462278396.29947305 semilocal (1967.56043s) started
T12 << 1462278402.12958694 semilocal (1973.39055s) stopped
T12 >> 1462278402.21158600 redistribute (1005.29503s) started
T12 << 1462278403.15531611 redistribute (1006.23876s) stopped
T12 >> 1462278403.15535903 libvdwxc nonlocal (6293.98944s) started
T12 << 1462278421.59753394 libvdwxc nonlocal (6312.43161s) stopped
T12 >> 1462278421.59759688 redistribute (1006.23880s) started
T12 << 1462278424.18575406 redistribute (1008.82695s) stopped
T12 << 1462278424.18700290 van der Waals (9359.96347s) stopped
T12 << 1462278424.65583611 XC 3D grid (9687.10110s) stopped
T12 >> 1462278424.65590096 Poisson (2165.66239s) started
T12 << 1462278429.02031994 Poisson (2170.02681s) stopped
T12 >> 1462278429.02046108 Hartree integrate/restrict (125.75041s) started
T12 << 1462278429.06442690 Hartree integrate/restrict (125.79438s) stopped
T12 >> 1462278429.06447792 Hartree integrate/restrict (125.79441s) started
T12 << 1462278429.38296008 Hartree integrate/restrict (126.11289s) stopped
T12 >> 1462278429.38310194 Atomic (814.03854s) started
T12 >> 1462278429.38478494 XC Correction (0.01116s) started
T12 << 1462278429.38481212 XC Correction (0.01118s) stopped
T12 << 1462278431.80154991 Atomic (816.45698s) stopped
T12 >> 1462278431.80165696 Communicate (3176.16783s) started
T12 << 1462278445.38329411 Communicate (3189.74947s) stopped
T12 << 1462278445.38333011 Hamiltonian (15998.96779s) stopped
T12 >> 1462278445.38335490 LCAO eigensolver (23191.55920s) started
T12 >> 1462278445.38336802 Potential matrix (350.19255s) started
T12 << 1462278446.34527802 Potential matrix (351.15446s) stopped
T12 >> 1462278446.34536004 DistributedAtomicCorrection (139.92800s) started
T12 << 1462278446.74053311 DistributedAtomicCorrection (140.32317s) stopped
T12 >> 1462278446.74059200 Distribute overlap matrix (2557.51770s) started
T12 >> 1462278446.74061298 blocked summation (1437.87042s) started
T12 << 1462278450.94586897 blocked summation (1442.07568s) stopped
T12 >> 1462278450.95587397 Scalapack redistribute (1116.06921s) started
T12 << 1462278454.04472709 Scalapack redistribute (1119.15806s) stopped
T12 << 1462278454.04482603 Distribute overlap matrix (2564.82193s) stopped
T12 >> 1462278454.04905510 Blacs Orbital Layouts (19508.05871s) started
T12 >> 1462278454.05760407 General diagonalize (19428.57609s) started
T12 << 1462278506.14568806 General diagonalize (19480.66417s) stopped
T12 >> 1462278506.14573193 Redistribute coefs (2.90930s) started
T12 << 1462278506.15406990 Redistribute coefs (2.91764s) stopped
T12 >> 1462278506.15414000 Send coefs to domains (73.31388s) started
T12 << 1462278506.27854800 Send coefs to domains (73.43829s) stopped
T12 << 1462278506.27893400 Blacs Orbital Layouts (19560.28859s) stopped
T12 >> 1462278506.27896190 Calculate projections (634.07844s) started
T12 << 1462278508.04750896 Calculate projections (635.84699s) stopped
T12 << 1462278508.04769111 LCAO eigensolver (23254.22354s) stopped
T12 >> 1462278511.15357208 Density (5606.02969s) started
T12 >> 1462278511.15358591 Pseudo density (4345.47942s) started
T12 >> 1462278511.15640092 Calculate density matrix (4084.37659s) started
T12 << 1462278523.28007293 Calculate density matrix (4096.50026s) stopped
T12 >> 1462278523.28012109 Construct density (254.22567s) started
T12 << 1462278524.02882504 Construct density (254.97438s) stopped
T12 >> 1462278524.04252911 Symmetrize density (0.02892s) started
T12 << 1462278524.04258609 Symmetrize density (0.02897s) stopped
T12 << 1462278524.04466105 Pseudo density (4358.37049s) stopped
T12 >> 1462278524.04471898 Atomic density matrices (1108.77213s) started
T12 << 1462278527.39722800 Atomic density matrices (1112.12464s) stopped
T12 >> 1462278527.39726210 Multipole moments (3.60443s) started
T12 << 1462278527.41030312 Multipole moments (3.61747s) stopped
T12 >> 1462278527.41033101 Normalize (2.32669s) started
T12 << 1462278527.41671801 Normalize (2.33308s) stopped
T12 >> 1462278527.41678596 Mix (145.82102s) started
T12 << 1462278527.85490990 Mix (146.25914s) stopped
T12 << 1462278527.85496807 Density (5622.73108s) stopped
T12 >> 1462278527.85499597 Hamiltonian (15998.96780s) started
T12 >> 1462278527.85501099 vbar (9.36951s) started
T12 << 1462278527.88829494 vbar (9.40279s) stopped
T12 >> 1462278527.88849092 XC 3D grid (9687.10116s) started
T12 >> 1462278528.36690688 van der Waals (9359.96350s) started
T12 >> 1462278528.47601199 semilocal (1973.39068s) started
T12 << 1462278534.21369696 semilocal (1979.12836s) stopped
T12 >> 1462278534.29597807 redistribute (1008.82701s) started
T12 << 1462278535.35840392 redistribute (1009.88944s) stopped
T12 >> 1462278535.35844803 libvdwxc nonlocal (6312.43166s) started
T12 << 1462278554.40155697 libvdwxc nonlocal (6331.47477s) stopped
T12 >> 1462278554.40162110 redistribute (1009.88947s) started
T12 << 1462278556.10948992 redistribute (1011.59734s) stopped
T12 << 1462278556.11059594 van der Waals (9387.70718s) stopped
T12 << 1462278556.57361102 XC 3D grid (9715.78628s) stopped
T12 >> 1462278556.57367206 Poisson (2170.02692s) started
T12 << 1462278560.98736310 Poisson (2174.44061s) stopped
T12 >> 1462278560.98741698 Hartree integrate/restrict (126.11294s) started
T12 << 1462278561.04180694 Hartree integrate/restrict (126.16733s) stopped
T12 >> 1462278561.04191494 Hartree integrate/restrict (126.16741s) started
T12 << 1462278561.35238600 Hartree integrate/restrict (126.47788s) stopped
T12 >> 1462278561.35253096 Atomic (816.45701s) started
T12 >> 1462278561.35424399 XC Correction (0.01120s) started
T12 << 1462278561.35426998 XC Correction (0.01122s) stopped
T12 << 1462278563.77458906 Atomic (818.87907s) stopped
T12 >> 1462278563.77468300 Communicate (3189.74949s) started
T12 << 1462278577.36279607 Communicate (3203.33761s) stopped
T12 << 1462278577.36283803 Hamiltonian (16048.47564s) stopped
T12 >> 1462278577.36286402 LCAO eigensolver (23254.22356s) started
T12 >> 1462278577.36287689 Potential matrix (351.15451s) started
T12 << 1462278578.32700896 Potential matrix (352.11864s) stopped
T12 >> 1462278578.32709193 DistributedAtomicCorrection (140.32321s) started
T12 << 1462278578.72012210 DistributedAtomicCorrection (140.71624s) stopped
T12 >> 1462278578.72018003 Distribute overlap matrix (2564.82194s) started
T12 >> 1462278578.72020102 blocked summation (1442.07571s) started
T12 << 1462278582.93277001 blocked summation (1446.28828s) stopped
T12 >> 1462278582.94193006 Scalapack redistribute (1119.15812s) started
T12 << 1462278586.10941291 Scalapack redistribute (1122.32561s) stopped
T12 << 1462278586.10951591 Distribute overlap matrix (2572.21128s) stopped
T12 >> 1462278586.11379004 Blacs Orbital Layouts (19560.28861s) started
T12 >> 1462278586.12236905 General diagonalize (19480.66421s) started
T12 << 1462278640.50568390 General diagonalize (19535.04752s) stopped
T12 >> 1462278640.50572896 Redistribute coefs (2.91770s) started
T12 << 1462278640.51402998 Redistribute coefs (2.92600s) stopped
T12 >> 1462278640.51409197 Send coefs to domains (73.43832s) started
T12 << 1462278640.60928893 Send coefs to domains (73.53351s) stopped
T12 << 1462278640.60967588 Blacs Orbital Layouts (19614.78449s) stopped
T12 >> 1462278640.60970497 Calculate projections (635.84704s) started
T12 << 1462278642.37775898 Calculate projections (637.61509s) stopped
T12 << 1462278642.37794495 LCAO eigensolver (23319.23864s) stopped
T12 >> 1462278645.49204803 Density (5622.73109s) started
T12 >> 1462278645.49206305 Pseudo density (4358.37054s) started
T12 >> 1462278645.49441910 Calculate density matrix (4096.50029s) started
T12 << 1462278657.41062188 Calculate density matrix (4108.41649s) stopped
T12 >> 1462278657.41067100 Construct density (254.97443s) started
T12 << 1462278658.15939903 Construct density (255.72316s) stopped
T12 >> 1462278658.17320299 Symmetrize density (0.02899s) started
T12 << 1462278658.17325807 Symmetrize density (0.02904s) stopped
T12 << 1462278658.17532992 Pseudo density (4371.05381s) stopped
T12 >> 1462278658.17538810 Atomic density matrices (1112.12466s) started
T12 << 1462278661.53810406 Atomic density matrices (1115.48738s) stopped
T12 >> 1462278661.53813696 Multipole moments (3.61748s) started
T12 << 1462278661.55109406 Multipole moments (3.63044s) stopped
T12 >> 1462278661.55112195 Normalize (2.33313s) started
T12 << 1462278661.55755901 Normalize (2.33957s) stopped
T12 >> 1462278661.55761695 Mix (146.25920s) started
T12 << 1462278661.97948790 Mix (146.68107s) stopped
T12 << 1462278661.97953391 Density (5639.21858s) stopped
T12 >> 1462278661.97955990 Hamiltonian (16048.47565s) started
T12 >> 1462278661.97957706 vbar (9.40291s) started
T12 << 1462278662.00569010 vbar (9.42903s) stopped
T12 >> 1462278662.00579309 XC 3D grid (9715.78633s) started
T12 >> 1462278662.54576898 van der Waals (9387.70721s) started
T12 >> 1462278662.65464497 semilocal (1979.12848s) started
T12 << 1462278668.40386295 semilocal (1984.87770s) stopped
T12 >> 1462278668.49215794 redistribute (1011.59740s) started
T12 << 1462278669.54251504 redistribute (1012.64775s) stopped
T12 >> 1462278669.54255795 libvdwxc nonlocal (6331.47482s) started
T12 << 1462278688.65102506 libvdwxc nonlocal (6350.58328s) stopped
T12 >> 1462278688.65108895 redistribute (1012.64779s) started
T12 << 1462278690.32237506 redistribute (1014.31907s) stopped
T12 << 1462278690.32366395 van der Waals (9415.48511s) stopped
T12 << 1462278690.78612089 XC 3D grid (9744.56666s) stopped
T12 >> 1462278690.78616595 Poisson (2174.44065s) started
T12 << 1462278695.25874209 Poisson (2178.91323s) stopped
T12 >> 1462278695.25882292 Hartree integrate/restrict (126.47793s) started
T12 << 1462278695.30449200 Hartree integrate/restrict (126.52360s) stopped
T12 >> 1462278695.30453706 Hartree integrate/restrict (126.52363s) started
T12 << 1462278695.62033391 Hartree integrate/restrict (126.83942s) stopped
T12 >> 1462278695.62047291 Atomic (818.87909s) started
T12 >> 1462278695.62215304 XC Correction (0.01124s) started
T12 << 1462278695.62216902 XC Correction (0.01125s) stopped
T12 << 1462278698.04280591 Atomic (821.30142s) stopped
T12 >> 1462278698.04289007 Communicate (3203.33764s) started
T12 << 1462278711.62953401 Communicate (3216.92428s) stopped
T12 << 1462278711.62956309 Hamiltonian (16098.12566s) stopped
T12 >> 1462278711.62958598 LCAO eigensolver (23319.23866s) started
T12 >> 1462278711.62959909 Potential matrix (352.11869s) started
T12 << 1462278712.59019494 Potential matrix (353.07928s) stopped
T12 >> 1462278712.59027600 DistributedAtomicCorrection (140.71628s) started
T12 << 1462278712.99086404 DistributedAtomicCorrection (141.11686s) stopped
T12 >> 1462278712.99092102 Distribute overlap matrix (2572.21129s) started
T12 >> 1462278712.99094296 blocked summation (1446.28831s) started
T12 << 1462278717.20623112 blocked summation (1450.50360s) stopped
T12 >> 1462278717.21560097 Scalapack redistribute (1122.32567s) started
T12 << 1462278720.61381102 Scalapack redistribute (1125.72388s) stopped
T12 << 1462278720.61391497 Distribute overlap matrix (2579.83429s) stopped
T12 >> 1462278720.61832595 Blacs Orbital Layouts (19614.78451s) started
T12 >> 1462278720.62791705 General diagonalize (19535.04756s) started
T12 << 1462278774.81409502 General diagonalize (19589.23374s) stopped
T12 >> 1462278774.81414795 Redistribute coefs (2.92605s) started
T12 << 1462278774.82180190 Redistribute coefs (2.93370s) stopped
T12 >> 1462278774.82187200 Send coefs to domains (73.53355s) started
T12 << 1462278775.00416303 Send coefs to domains (73.71584s) stopped
T12 << 1462278775.00479102 Blacs Orbital Layouts (19669.17098s) stopped
T12 >> 1462278775.00482392 Calculate projections (637.61515s) started
T12 << 1462278776.78458309 Calculate projections (639.39491s) stopped
T12 << 1462278776.78503609 LCAO eigensolver (23384.39411s) stopped
T12 << 1462278779.88368511 SCF-cycle (46291.05071s) stopped
T12 >> 1462278782.07975793 Force calculation (1804.52401s) started
T12 >> 1462278782.07984591 LCAO forces (1784.77823s) started
T12 >> 1462278782.08022499 Initial (0.00054s) started
T12 << 1462278782.08023596 Initial (0.00055s) stopped
T12 >> 1462278782.08668208 Get density matrix (941.91930s) started
T12 << 1462278791.24794197 Get density matrix (951.08056s) stopped
T12 >> 1462278791.24799109 Potential (142.48233s) started
T12 << 1462278797.21967506 Potential (148.45401s) stopped
T12 >> 1462278797.21973705 Get density matrix (951.08060s) started
T12 << 1462278828.16217399 Get density matrix (982.02304s) stopped
T12 >> 1462278828.16225004 Prepare TCI loop (49.72536s) started
T12 >> 1462278828.16283107 Get neighbors (45.09497s) started
T12 << 1462278830.11052895 Get neighbors (47.04266s) stopped
T12 >> 1462278830.11159205 broadcast dH (4.60444s) started
T12 << 1462278830.21939111 broadcast dH (4.71224s) stopped
T12 << 1462278830.21943903 Prepare TCI loop (51.78255s) stopped
T12 >> 1462278830.21946096 Not so complicated loop (2.76798s) started
T12 << 1462278830.34053111 Not so complicated loop (2.88905s) stopped
T12 >> 1462278830.46311808 Complicated loop (422.43240s) started
T12 << 1462278849.22181511 Complicated loop (441.19110s) stopped
T12 >> 1462278849.22271895 Wait for sum (222.55242s) started
T12 << 1462278858.60774493 Wait for sum (231.93744s) stopped
T12 << 1462278858.60778809 LCAO forces (1861.30618s) stopped
T12 << 1462278859.46839094 Force calculation (1881.91264s) stopped
T12 >> 1462278859.48636198 Initialization (2965.25477s) started
T12 << 1462278859.48653102 Initialization (2965.25494s) stopped
T12 >> 1462278859.48674989 Initialization (2965.25496s) started
T12 << 1462278859.48688698 Initialization (2965.25509s) stopped
T12 >> 1462278859.48702097 Initialization (2965.25511s) started
T12 << 1462278859.48714805 Initialization (2965.25523s) stopped
T12 >> 1462278879.78705692 Initialization (2965.25526s) started
T12 >> 1462278879.91621590 Basic WFS set positions (2.09242s) started
T12 >> 1462278879.91624188 Redistribute (0.01032s) started
T12 << 1462278879.91637611 Redistribute (0.01045s) stopped
T12 << 1462278880.00361609 Basic WFS set positions (2.17982s) stopped
T12 >> 1462278880.00364089 Basis functions set positions (42.84041s) started
T12 << 1462278881.84988093 Basis functions set positions (44.68665s) stopped
T12 >> 1462278881.85095096 TCI: Calculate S, T, P (361.67773s) started
T12 << 1462278897.06067610 TCI: Calculate S, T, P (376.88746s) stopped
T12 >> 1462278897.06073809 blocked summation (495.63324s) started
T12 << 1462278919.81535602 blocked summation (518.38786s) stopped
T12 >> 1462278919.82483411 Scalapack redistribute (188.29392s) started
T12 << 1462278930.15044904 Scalapack redistribute (198.61954s) stopped
T12 >> 1462278930.15158105 blocked summation (518.38791s) started
T12 << 1462278931.23236203 blocked summation (519.46869s) stopped
T12 >> 1462278931.24201798 Scalapack redistribute (198.61961s) started
T12 << 1462278931.46859097 Scalapack redistribute (198.84618s) stopped
T12 >> 1462278931.47101998 Redistribute (0.08112s) started
T12 << 1462278931.47156191 Redistribute (0.08166s) stopped
T12 >> 1462278933.13750410 Redistribute (0.08168s) started
T12 << 1462278933.13798404 Redistribute (0.08216s) stopped
T12 >> 1462278933.15636706 LCAO WFS Initialize (1824.82688s) started
T12 >> 1462278933.15640402 Density initialize from wavefunctions (341.26956s) started
T12 >> 1462278933.16127706 Calculate density matrix (237.45681s) started
T12 << 1462278943.00479102 Calculate density matrix (247.30032s) stopped
T12 >> 1462278943.00485206 Construct density (17.83406s) started
T12 << 1462278943.75656509 Construct density (18.58577s) stopped
T12 >> 1462278943.77098894 Symmetrize density (0.00190s) started
T12 << 1462278943.77105498 Symmetrize density (0.00196s) stopped
T12 << 1462278947.46277499 Density initialize from wavefunctions (355.57593s) stopped
T12 >> 1462278947.46311402 Hamiltonian (1482.63685s) started
T12 >> 1462278947.46313310 vbar (0.71745s) started
T12 << 1462278947.49208903 vbar (0.74640s) stopped
T12 >> 1462278947.49218297 XC 3D grid (718.58186s) started
T12 >> 1462278947.99997711 van der Waals (694.71568s) started
T12 >> 1462278948.11307001 semilocal (144.88541s) started
T12 << 1462278953.93589807 semilocal (150.70823s) stopped
T12 >> 1462278954.01160502 redistribute (82.94125s) started
T12 << 1462278954.97716594 redistribute (83.90681s) stopped
T12 >> 1462278954.97722912 libvdwxc nonlocal (462.09313s) started
T12 << 1462278973.26170492 libvdwxc nonlocal (480.37760s) stopped
T12 >> 1462278973.26178503 redistribute (83.90685s) started
T12 << 1462278976.06340408 redistribute (86.70847s) stopped
T12 << 1462278976.06448793 van der Waals (722.78020s) stopped
T12 << 1462278976.52001095 XC 3D grid (747.60969s) stopped
T12 >> 1462278976.52005911 Poisson (400.70437s) started
T12 << 1462278992.34056711 Poisson (416.52487s) stopped
T12 >> 1462278992.34064102 Hartree integrate/restrict (9.27424s) started
T12 << 1462278992.38143110 Hartree integrate/restrict (9.31503s) stopped
T12 >> 1462278992.38151908 Hartree integrate/restrict (9.31508s) started
T12 << 1462278992.70226502 Hartree integrate/restrict (9.63583s) stopped
T12 >> 1462278992.70236897 Atomic (58.91462s) started
T12 >> 1462278992.70456910 XC Correction (0.00103s) started
T12 << 1462278992.70459294 XC Correction (0.00106s) stopped
T12 << 1462278995.08387303 Atomic (61.29612s) stopped
T12 >> 1462278995.08406806 Communicate (294.40753s) started
T12 << 1462279010.67389202 Communicate (309.99736s) stopped
T12 << 1462279010.67393303 Hamiltonian (1545.84767s) stopped
T12 << 1462279010.67394805 LCAO WFS Initialize (1902.34446s) stopped
T12 << 1462279010.68623805 Initialization (3096.15444s) stopped
T12 >> 1462279010.71261406 SCF-cycle (46291.05074s) started
T12 >> 1462279010.71265197 LCAO eigensolver (23384.39413s) started
T12 >> 1462279010.71266508 Potential matrix (353.07933s) started
T12 << 1462279011.66240692 Potential matrix (354.02907s) stopped
T12 >> 1462279011.66250300 DistributedAtomicCorrection (141.11690s) started
T12 << 1462279012.05609703 DistributedAtomicCorrection (141.51050s) stopped
T12 >> 1462279012.05614591 Distribute overlap matrix (2579.83430s) started
T12 >> 1462279012.05618310 blocked summation (1450.50363s) started
T12 << 1462279016.22571206 blocked summation (1454.67316s) stopped
T12 >> 1462279016.23507190 Scalapack redistribute (1125.72394s) started
T12 << 1462279019.89768291 Scalapack redistribute (1129.38655s) stopped
T12 << 1462279019.89781809 Distribute overlap matrix (2587.67597s) stopped
T12 >> 1462279019.90180206 Blacs Orbital Layouts (19669.17100s) started
T12 >> 1462279019.91063809 General diagonalize (19589.23378s) started
T12 << 1462279074.97578812 General diagonalize (19644.29893s) stopped
T12 >> 1462279074.97584891 Redistribute coefs (2.93376s) started
T12 << 1462279074.98365808 Redistribute coefs (2.94157s) stopped
T12 >> 1462279074.98370790 Send coefs to domains (73.71587s) started
T12 << 1462279075.09496403 Send coefs to domains (73.82713s) stopped
T12 << 1462279075.09536290 Blacs Orbital Layouts (19724.36456s) stopped
T12 >> 1462279075.09539390 Calculate projections (639.39496s) started
T12 << 1462279076.87242699 Calculate projections (641.17200s) stopped
T12 << 1462279076.87264109 LCAO eigensolver (23450.55411s) stopped
T12 >> 1462279079.95969701 Density (5639.21859s) started
T12 >> 1462279079.95971203 Pseudo density (4371.05385s) started
T12 >> 1462279079.96195197 Calculate density matrix (4108.41653s) started
T12 << 1462279092.35002208 Calculate density matrix (4120.80460s) stopped
T12 >> 1462279092.35007906 Construct density (255.72324s) started
T12 << 1462279093.10237098 Construct density (256.47553s) stopped
T12 >> 1462279093.11636090 Symmetrize density (0.02906s) started
T12 << 1462279093.11643791 Symmetrize density (0.02914s) stopped
T12 << 1462279093.11845708 Pseudo density (4384.21260s) stopped
T12 >> 1462279093.11852598 Atomic density matrices (1115.48740s) started
T12 << 1462279096.43841696 Atomic density matrices (1118.80729s) stopped
T12 >> 1462279096.43845201 Multipole moments (3.63046s) started
T12 << 1462279096.45105410 Multipole moments (3.64306s) stopped
T12 >> 1462279096.45107794 Normalize (2.33960s) started
T12 << 1462279096.45735908 Normalize (2.34589s) stopped
T12 >> 1462279096.45742607 Mix (146.68111s) started
T12 << 1462279096.85285711 Mix (147.07654s) stopped
T12 << 1462279096.85291696 Density (5656.11181s) stopped
T12 >> 1462279096.85294390 Hamiltonian (16098.12567s) started
T12 >> 1462279096.85296011 vbar (9.42908s) started
T12 << 1462279096.90129590 vbar (9.47742s) stopped
T12 >> 1462279096.90140390 XC 3D grid (9744.56669s) started
T12 >> 1462279097.36818695 van der Waals (9415.48513s) started
T12 >> 1462279097.48227906 semilocal (1984.87782s) started
T12 << 1462279103.17651105 semilocal (1990.57205s) stopped
T12 >> 1462279103.25550890 redistribute (1014.31913s) started
T12 << 1462279104.37028289 redistribute (1015.43391s) stopped
T12 >> 1462279104.37032390 libvdwxc nonlocal (6350.58333s) started
T12 << 1462279122.95210409 libvdwxc nonlocal (6369.16511s) stopped
T12 >> 1462279122.95215511 redistribute (1015.43394s) started
T12 << 1462279124.62650800 redistribute (1017.10829s) stopped
T12 << 1462279124.62773705 van der Waals (9442.74468s) stopped
T12 << 1462279125.08334994 XC 3D grid (9772.74864s) stopped
T12 >> 1462279125.08339095 Poisson (2178.91329s) started
T12 << 1462279130.99587893 Poisson (2184.82577s) stopped
T12 >> 1462279130.99594593 Hartree integrate/restrict (126.83947s) started
T12 << 1462279131.04606009 Hartree integrate/restrict (126.88959s) stopped
T12 >> 1462279131.04610610 Hartree integrate/restrict (126.88962s) started
T12 << 1462279131.36075091 Hartree integrate/restrict (127.20426s) stopped
T12 >> 1462279131.36085200 Atomic (821.30144s) started
T12 >> 1462279131.36345696 XC Correction (0.01127s) started
T12 << 1462279131.36350298 XC Correction (0.01132s) stopped
T12 << 1462279133.77090096 Atomic (823.71149s) stopped
T12 >> 1462279133.77107596 Communicate (3216.92430s) started
T12 << 1462279149.38778305 Communicate (3232.54101s) stopped
T12 << 1462279149.38782501 Hamiltonian (16150.66055s) stopped
T12 >> 1462279149.38785100 LCAO eigensolver (23450.55413s) started
T12 >> 1462279149.38786292 Potential matrix (354.02913s) started
T12 << 1462279150.34510398 Potential matrix (354.98637s) stopped
T12 >> 1462279150.34517598 DistributedAtomicCorrection (141.51054s) started
T12 << 1462279150.74041796 DistributedAtomicCorrection (141.90578s) stopped
T12 >> 1462279150.74046493 Distribute overlap matrix (2587.67599s) started
T12 >> 1462279150.74049711 blocked summation (1454.67320s) started
T12 << 1462279154.97084188 blocked summation (1458.90354s) stopped
T12 >> 1462279154.98058796 Scalapack redistribute (1129.38663s) started
T12 << 1462279158.61399508 Scalapack redistribute (1133.02004s) stopped
T12 << 1462279158.61409903 Distribute overlap matrix (2595.54962s) stopped
T12 >> 1462279158.61874604 Blacs Orbital Layouts (19724.36458s) started
T12 >> 1462279158.62741590 General diagonalize (19644.29898s) started
T12 << 1462279212.59527802 General diagonalize (19698.26685s) stopped
T12 >> 1462279212.59532309 Redistribute coefs (2.94161s) started
T12 << 1462279212.60273504 Redistribute coefs (2.94902s) stopped
T12 >> 1462279212.60280800 Send coefs to domains (73.82717s) started
T12 << 1462279213.05367899 Send coefs to domains (74.27804s) stopped
T12 << 1462279213.05409789 Blacs Orbital Layouts (19778.79993s) stopped
T12 >> 1462279213.05412698 Calculate projections (641.17205s) started
T12 << 1462279214.82327890 Calculate projections (642.94120s) stopped
T12 << 1462279214.82366204 LCAO eigensolver (23515.98995s) stopped
T12 >> 1462279217.95131803 Density (5656.11183s) started
T12 >> 1462279217.95133209 Pseudo density (4384.21265s) started
T12 >> 1462279217.95397592 Calculate density matrix (4120.80464s) started
T12 << 1462279229.80529308 Calculate density matrix (4132.65595s) stopped
T12 >> 1462279229.80534101 Construct density (256.47559s) started
T12 << 1462279230.55733490 Construct density (257.22758s) stopped
T12 >> 1462279230.57447696 Symmetrize density (0.02916s) started
T12 << 1462279230.57454205 Symmetrize density (0.02922s) stopped
T12 << 1462279230.57706594 Pseudo density (4396.83839s) stopped
T12 >> 1462279230.57712412 Atomic density matrices (1118.80732s) started
T12 << 1462279233.97231197 Atomic density matrices (1122.20251s) stopped
T12 >> 1462279233.97234392 Multipole moments (3.64307s) started
T12 << 1462279233.98564410 Multipole moments (3.65637s) stopped
T12 >> 1462279233.98566699 Normalize (2.34593s) started
T12 << 1462279233.99250102 Normalize (2.35277s) stopped
T12 >> 1462279233.99253988 Mix (147.07660s) started
T12 << 1462279234.34333706 Mix (147.42740s) stopped
T12 << 1462279234.34339690 Density (5672.50391s) stopped
T12 >> 1462279234.34342504 Hamiltonian (16150.66056s) started
T12 >> 1462279234.34344101 vbar (9.47748s) started
T12 << 1462279234.36729288 vbar (9.50133s) stopped
T12 >> 1462279234.36739397 XC 3D grid (9772.74867s) started
T12 >> 1462279234.94783902 van der Waals (9442.74471s) started
T12 >> 1462279235.05931306 semilocal (1990.57215s) started
T12 << 1462279240.78165889 semilocal (1996.29450s) stopped
T12 >> 1462279240.85950398 redistribute (1017.10833s) started
T12 << 1462279241.91344810 redistribute (1018.16228s) stopped
T12 >> 1462279241.91348910 libvdwxc nonlocal (6369.16515s) started
T12 << 1462279260.29325604 libvdwxc nonlocal (6387.54492s) stopped
T12 >> 1462279260.29331708 redistribute (1018.16231s) started
T12 << 1462279262.00785398 redistribute (1019.87685s) stopped
T12 << 1462279262.00911999 van der Waals (9469.80600s) stopped
T12 << 1462279262.46564889 XC 3D grid (9800.84692s) stopped
T12 >> 1462279262.46570992 Poisson (2184.82582s) started
T12 << 1462279272.52510691 Poisson (2194.88522s) stopped
T12 >> 1462279272.52523804 Hartree integrate/restrict (127.20432s) started
T12 << 1462279272.57171297 Hartree integrate/restrict (127.25079s) stopped
T12 >> 1462279272.57180691 Hartree integrate/restrict (127.25085s) started
T12 << 1462279272.88247108 Hartree integrate/restrict (127.56152s) stopped
T12 >> 1462279272.88256192 Atomic (823.71151s) started
T12 >> 1462279272.88425303 XC Correction (0.01133s) started
T12 << 1462279272.88426709 XC Correction (0.01134s) stopped
T12 << 1462279275.29342198 Atomic (826.12237s) stopped
T12 >> 1462279275.29358792 Communicate (3232.54104s) started
T12 << 1462279290.95515895 Communicate (3248.20261s) stopped
T12 << 1462279290.95519710 Hamiltonian (16207.27234s) stopped
T12 >> 1462279290.95522189 LCAO eigensolver (23515.98996s) started
T12 >> 1462279290.95523500 Potential matrix (354.98641s) started
T12 << 1462279291.91492891 Potential matrix (355.94610s) stopped
T12 >> 1462279291.91500306 DistributedAtomicCorrection (141.90582s) started
T12 << 1462279292.31759810 DistributedAtomicCorrection (142.30841s) stopped
T12 >> 1462279292.31764603 Distribute overlap matrix (2595.54963s) started
T12 >> 1462279292.31767988 blocked summation (1458.90357s) started
T12 << 1462279296.55508900 blocked summation (1463.14098s) stopped
T12 >> 1462279296.56541991 Scalapack redistribute (1133.02010s) started
T12 << 1462279300.25946593 Scalapack redistribute (1136.71414s) stopped
T12 << 1462279300.25956202 Distribute overlap matrix (2603.49155s) stopped
T12 >> 1462279300.26468396 Blacs Orbital Layouts (19778.79995s) started
T12 >> 1462279300.27327609 General diagonalize (19698.26688s) started
T12 << 1462279355.80695200 General diagonalize (19753.80056s) stopped
T12 >> 1462279355.80699801 Redistribute coefs (2.94908s) started
T12 << 1462279355.81425691 Redistribute coefs (2.95633s) stopped
T12 >> 1462279355.81434107 Send coefs to domains (74.27807s) started
T12 << 1462279355.98297906 Send coefs to domains (74.44671s) stopped
T12 << 1462279355.98330688 Blacs Orbital Layouts (19834.51857s) stopped
T12 >> 1462279355.98333406 Calculate projections (642.94125s) started
T12 << 1462279357.75418806 Calculate projections (644.71211s) stopped
T12 << 1462279357.75454593 LCAO eigensolver (23582.78929s) stopped
T12 >> 1462279360.88956809 Density (5672.50392s) started
T12 >> 1462279360.88958192 Pseudo density (4396.83843s) started
T12 >> 1462279360.89199710 Calculate density matrix (4132.65598s) started
T12 << 1462279372.75228190 Calculate density matrix (4144.51627s) stopped
T12 >> 1462279372.75233006 Construct density (257.22763s) started
T12 << 1462279373.50520611 Construct density (257.98051s) stopped
T12 >> 1462279373.52215505 Symmetrize density (0.02926s) started
T12 << 1462279373.52221990 Symmetrize density (0.02933s) stopped
T12 << 1462279373.52471089 Pseudo density (4409.47356s) stopped
T12 >> 1462279373.52477002 Atomic density matrices (1122.20253s) started
T12 << 1462279376.93921304 Atomic density matrices (1125.61698s) stopped
T12 >> 1462279376.93924689 Multipole moments (3.65639s) started
T12 << 1462279376.95254111 Multipole moments (3.66968s) stopped
T12 >> 1462279376.95256591 Normalize (2.35279s) started
T12 << 1462279376.96033311 Normalize (2.36056s) stopped
T12 >> 1462279376.96037292 Mix (147.42746s) started
T12 << 1462279377.34794211 Mix (147.81503s) stopped
T12 << 1462279377.34799290 Density (5688.96234s) stopped
T12 >> 1462279377.34801698 Hamiltonian (16207.27235s) started
T12 >> 1462279377.34803104 vbar (9.50139s) started
T12 << 1462279377.37031603 vbar (9.52368s) stopped
T12 >> 1462279377.37039995 XC 3D grid (9800.84697s) started
T12 >> 1462279377.91146111 van der Waals (9469.80605s) started
T12 >> 1462279378.02354503 semilocal (1996.29455s) started
T12 << 1462279383.84891510 semilocal (2002.11992s) stopped
T12 >> 1462279383.92333198 redistribute (1019.87688s) started
T12 << 1462279384.88691401 redistribute (1020.84046s) stopped
T12 >> 1462279384.88695598 libvdwxc nonlocal (6387.54496s) started
T12 << 1462279403.61501908 libvdwxc nonlocal (6406.27303s) stopped
T12 >> 1462279403.61508298 redistribute (1020.84050s) started
T12 << 1462279405.27270198 redistribute (1022.49811s) stopped
T12 << 1462279405.27387691 van der Waals (9497.16847s) stopped
T12 << 1462279405.73302197 XC 3D grid (9829.20959s) stopped
T12 >> 1462279405.73308396 Poisson (2194.88533s) started
T12 << 1462279417.19003391 Poisson (2206.34228s) stopped
T12 >> 1462279417.19017291 Hartree integrate/restrict (127.56156s) started
T12 << 1462279417.23350811 Hartree integrate/restrict (127.60490s) stopped
T12 >> 1462279417.23358488 Hartree integrate/restrict (127.60495s) started
T12 << 1462279417.53601599 Hartree integrate/restrict (127.90738s) stopped
T12 >> 1462279417.53610802 Atomic (826.12240s) started
T12 >> 1462279417.53779101 XC Correction (0.01136s) started
T12 << 1462279417.53780603 XC Correction (0.01137s) stopped
T12 << 1462279419.95359206 Atomic (828.53988s) stopped
T12 >> 1462279419.95374894 Communicate (3248.20263s) started
T12 << 1462279435.24033809 Communicate (3263.48922s) stopped
T12 << 1462279435.24037600 Hamiltonian (16265.16471s) stopped
T12 >> 1462279435.24040103 LCAO eigensolver (23582.78931s) started
T12 >> 1462279435.24041390 Potential matrix (355.94615s) started
T12 << 1462279436.19505692 Potential matrix (356.90079s) stopped
T12 >> 1462279436.19513011 DistributedAtomicCorrection (142.30845s) started
T12 << 1462279436.59165406 DistributedAtomicCorrection (142.70498s) stopped
T12 >> 1462279436.59170103 Distribute overlap matrix (2603.49156s) started
T12 >> 1462279436.59173298 blocked summation (1463.14104s) started
T12 << 1462279440.82887101 blocked summation (1467.37817s) stopped
T12 >> 1462279440.83928990 Scalapack redistribute (1136.71420s) started
T12 << 1462279444.51474690 Scalapack redistribute (1140.38966s) stopped
T12 << 1462279444.51484990 Distribute overlap matrix (2611.41471s) stopped
T12 >> 1462279444.51904297 Blacs Orbital Layouts (19834.51859s) started
T12 >> 1462279444.52791595 General diagonalize (19753.80059s) started
T12 << 1462279497.22928691 General diagonalize (19806.50197s) stopped
T12 >> 1462279497.22936702 Redistribute coefs (2.95640s) started
T12 << 1462279497.23839307 Redistribute coefs (2.96543s) stopped
T12 >> 1462279497.23844004 Send coefs to domains (74.44674s) started
T12 << 1462279497.33890891 Send coefs to domains (74.54721s) stopped
T12 << 1462279497.33932090 Blacs Orbital Layouts (19887.33887s) stopped
T12 >> 1462279497.33935094 Calculate projections (644.71216s) started
T12 << 1462279499.11936402 Calculate projections (646.49217s) stopped
T12 << 1462279499.11963797 LCAO eigensolver (23646.66854s) stopped
T12 >> 1462279502.23630500 Density (5688.96236s) started
T12 >> 1462279502.23632097 Pseudo density (4409.47361s) started
T12 >> 1462279502.23837399 Calculate density matrix (4144.51630s) started
T12 << 1462279514.30191398 Calculate density matrix (4156.57984s) stopped
T12 >> 1462279514.30197001 Construct density (257.98056s) started
T12 << 1462279515.05397296 Construct density (258.73256s) stopped
T12 >> 1462279515.06932592 Symmetrize density (0.02934s) started
T12 << 1462279515.06940103 Symmetrize density (0.02942s) stopped
T12 << 1462279515.07154608 Pseudo density (4422.30884s) stopped
T12 >> 1462279515.07161498 Atomic density matrices (1125.61700s) started
T12 << 1462279518.45932603 Atomic density matrices (1129.00471s) stopped
T12 >> 1462279518.45936108 Multipole moments (3.66970s) started
T12 << 1462279518.47263193 Multipole moments (3.68297s) stopped
T12 >> 1462279518.47266412 Normalize (2.36059s) started
T12 << 1462279518.47910690 Normalize (2.36703s) stopped
T12 >> 1462279518.47919703 Mix (147.81508s) started
T12 << 1462279518.87643790 Mix (148.21232s) stopped
T12 << 1462279518.87652993 Density (5705.60258s) stopped
T12 >> 1462279518.87656903 Hamiltonian (16265.16472s) started
T12 >> 1462279518.87658811 vbar (9.52373s) started
T12 << 1462279518.90082788 vbar (9.54797s) stopped
T12 >> 1462279518.90092111 XC 3D grid (9829.20965s) started
T12 >> 1462279519.41260195 van der Waals (9497.16851s) started
T12 >> 1462279519.52829099 semilocal (2002.11997s) started
T12 << 1462279525.24788809 semilocal (2007.83957s) stopped
T12 >> 1462279525.32636499 redistribute (1022.49816s) started
T12 << 1462279526.40539289 redistribute (1023.57718s) stopped
T12 >> 1462279526.40544200 libvdwxc nonlocal (6406.27308s) started
T12 << 1462279544.30001593 libvdwxc nonlocal (6424.16765s) stopped
T12 >> 1462279544.30009294 redistribute (1023.57722s) started
T12 << 1462279546.29191589 redistribute (1025.56904s) stopped
T12 << 1462279546.29283190 van der Waals (9524.04874s) stopped
T12 << 1462279546.74805093 XC 3D grid (9857.05678s) stopped
T12 >> 1462279546.74811697 Poisson (2206.34239s) started
T12 << 1462279552.60448408 Poisson (2212.19875s) stopped
T12 >> 1462279552.60462499 Hartree integrate/restrict (127.90743s) started
T12 << 1462279552.64340401 Hartree integrate/restrict (127.94621s) stopped
T12 >> 1462279552.64349699 Hartree integrate/restrict (127.94627s) started
T12 << 1462279552.97460890 Hartree integrate/restrict (128.27738s) stopped
T12 >> 1462279552.97468805 Atomic (828.53991s) started
T12 >> 1462279552.97649908 XC Correction (0.01138s) started
T12 << 1462279552.97651911 XC Correction (0.01140s) stopped
T12 << 1462279555.38269901 Atomic (830.94792s) stopped
T12 >> 1462279555.38287401 Communicate (3263.48925s) started
T12 << 1462279569.70572090 Communicate (3277.81210s) stopped
T12 << 1462279569.70575404 Hamiltonian (16315.99391s) stopped
T12 >> 1462279569.70578003 LCAO eigensolver (23646.66856s) started
T12 >> 1462279569.70579290 Potential matrix (356.90084s) started
T12 << 1462279570.65663099 Potential matrix (357.85167s) stopped
T12 >> 1462279570.65672588 DistributedAtomicCorrection (142.70502s) started
T12 << 1462279571.05572104 DistributedAtomicCorrection (143.10401s) stopped
T12 >> 1462279571.05576992 Distribute overlap matrix (2611.41473s) started
T12 >> 1462279571.05580592 blocked summation (1467.37823s) started
T12 << 1462279575.13322997 blocked summation (1471.45565s) stopped
T12 >> 1462279575.14224792 Scalapack redistribute (1140.38972s) started
T12 << 1462279578.85471392 Scalapack redistribute (1144.10219s) stopped
T12 << 1462279578.85482907 Distribute overlap matrix (2619.21378s) stopped
T12 >> 1462279578.85901594 Blacs Orbital Layouts (19887.33889s) started
T12 >> 1462279578.86795497 General diagonalize (19806.50203s) started
T12 << 1462279634.38538790 General diagonalize (19862.01947s) stopped
T12 >> 1462279634.38543797 Redistribute coefs (2.96546s) started
T12 << 1462279634.39343810 Redistribute coefs (2.97346s) stopped
T12 >> 1462279634.39351511 Send coefs to domains (74.54725s) started
T12 << 1462279634.50242209 Send coefs to domains (74.65615s) stopped
T12 << 1462279634.50299501 Blacs Orbital Layouts (19942.98287s) stopped
T12 >> 1462279634.50302601 Calculate projections (646.49226s) started
T12 << 1462279636.28443098 Calculate projections (648.27367s) stopped
T12 << 1462279636.28463101 LCAO eigensolver (23713.24741s) stopped
T12 >> 1462279639.40495801 Density (5705.60260s) started
T12 >> 1462279639.40497398 Pseudo density (4422.30889s) started
T12 >> 1462279639.40696311 Calculate density matrix (4156.57988s) started
T12 << 1462279651.59507203 Calculate density matrix (4168.76799s) stopped
T12 >> 1462279651.59512901 Construct density (258.73262s) started
T12 << 1462279652.34754395 Construct density (259.48504s) stopped
T12 >> 1462279652.36264300 Symmetrize density (0.02944s) started
T12 << 1462279652.36270905 Symmetrize density (0.02951s) stopped
T12 << 1462279652.36487007 Pseudo density (4435.26879s) stopped
T12 >> 1462279652.36493707 Atomic density matrices (1129.00474s) started
T12 << 1462279655.67616200 Atomic density matrices (1132.31597s) stopped
T12 >> 1462279655.67619801 Multipole moments (3.68299s) started
T12 << 1462279655.68939590 Multipole moments (3.69619s) stopped
T12 >> 1462279655.68942809 Normalize (2.36710s) started
T12 << 1462279655.69564605 Normalize (2.37332s) stopped
T12 >> 1462279655.69570208 Mix (148.21241s) started
T12 << 1462279656.15677404 Mix (148.67348s) stopped
T12 << 1462279656.15682912 Density (5722.35447s) stopped
T12 >> 1462279656.15685296 Hamiltonian (16315.99392s) started
T12 >> 1462279656.15686893 vbar (9.54803s) started
T12 << 1462279656.18277597 vbar (9.57393s) stopped
T12 >> 1462279656.18291211 XC 3D grid (9857.05683s) started
T12 >> 1462279656.66659307 van der Waals (9524.04877s) started
T12 >> 1462279656.77854800 semilocal (2007.83965s) started
T12 << 1462279662.53928208 semilocal (2013.60039s) stopped
T12 >> 1462279662.61122894 redistribute (1025.56909s) started
T12 << 1462279663.61720705 redistribute (1026.57506s) stopped
T12 >> 1462279663.61725593 libvdwxc nonlocal (6424.16771s) started
T12 << 1462279681.84333205 libvdwxc nonlocal (6442.39378s) stopped
T12 >> 1462279681.84340000 redistribute (1026.57510s) started
T12 << 1462279683.63828492 redistribute (1028.36998s) stopped
T12 << 1462279683.63913608 van der Waals (9551.02131s) stopped
T12 << 1462279684.09370089 XC 3D grid (9884.96762s) stopped
T12 >> 1462279684.09376311 Poisson (2212.19886s) started
T12 << 1462279690.02413702 Poisson (2218.12924s) stopped
T12 >> 1462279690.02427197 Hartree integrate/restrict (128.27741s) started
T12 << 1462279690.06830406 Hartree integrate/restrict (128.32144s) stopped
T12 >> 1462279690.06836700 Hartree integrate/restrict (128.32148s) started
T12 << 1462279690.38286304 Hartree integrate/restrict (128.63598s) stopped
T12 >> 1462279690.38294792 Atomic (830.94794s) started
T12 >> 1462279690.38467407 XC Correction (0.01141s) started
T12 << 1462279690.38469005 XC Correction (0.01143s) stopped
T12 << 1462279692.79194093 Atomic (833.35693s) stopped
T12 >> 1462279692.79208708 Communicate (3277.81212s) started
T12 << 1462279706.72054410 Communicate (3291.74057s) stopped
T12 << 1462279706.72058010 Hamiltonian (16366.55765s) stopped
T12 >> 1462279706.72060490 LCAO eigensolver (23713.24743s) started
T12 >> 1462279706.72061801 Potential matrix (357.85173s) started
T12 << 1462279707.68086791 Potential matrix (358.81198s) stopped
T12 >> 1462279707.68093896 DistributedAtomicCorrection (143.10405s) started
T12 << 1462279708.08347201 DistributedAtomicCorrection (143.50658s) stopped
T12 >> 1462279708.08353496 Distribute overlap matrix (2619.21380s) started
T12 >> 1462279708.08355689 blocked summation (1471.45569s) started
T12 << 1462279712.17218399 blocked summation (1475.54431s) stopped
T12 >> 1462279712.18181801 Scalapack redistribute (1144.10226s) started
T12 << 1462279715.83408403 Scalapack redistribute (1147.75452s) stopped
T12 << 1462279715.83418703 Distribute overlap matrix (2626.96445s) stopped
T12 >> 1462279715.83912492 Blacs Orbital Layouts (19942.98289s) started
T12 >> 1462279715.84764004 General diagonalize (19862.01951s) started
T12 << 1462279767.63154411 General diagonalize (19913.80341s) stopped
T12 >> 1462279767.63159108 Redistribute coefs (2.97353s) started
T12 << 1462279767.63912606 Redistribute coefs (2.98106s) stopped
T12 >> 1462279767.63920403 Send coefs to domains (74.65619s) started
T12 << 1462279767.77199292 Send coefs to domains (74.78898s) stopped
T12 << 1462279767.77232599 Blacs Orbital Layouts (19994.91609s) stopped
T12 >> 1462279767.77235508 Calculate projections (648.27372s) started
T12 << 1462279769.54453111 Calculate projections (650.04590s) stopped
T12 << 1462279769.54471803 LCAO eigensolver (23776.07155s) stopped
T12 >> 1462279772.67345309 Density (5722.35448s) started
T12 >> 1462279772.67346692 Pseudo density (4435.26884s) started
T12 >> 1462279772.67583990 Calculate density matrix (4168.76803s) started
T12 << 1462279784.69649005 Calculate density matrix (4180.78868s) stopped
T12 >> 1462279784.69653893 Construct density (259.48509s) started
T12 << 1462279785.45025301 Construct density (260.23881s) stopped
T12 >> 1462279785.46644807 Symmetrize density (0.02952s) started
T12 << 1462279785.46650410 Symmetrize density (0.02958s) stopped
T12 << 1462279785.46899295 Pseudo density (4448.06436s) stopped
T12 >> 1462279785.46905088 Atomic density matrices (1132.31599s) started
T12 << 1462279788.75509691 Atomic density matrices (1135.60204s) stopped
T12 >> 1462279788.75513101 Multipole moments (3.69620s) started
T12 << 1462279788.76835608 Multipole moments (3.70943s) stopped
T12 >> 1462279788.76838589 Normalize (2.37335s) started
T12 << 1462279788.77519298 Normalize (2.38016s) stopped
T12 >> 1462279788.77523088 Mix (148.67353s) started
T12 << 1462279789.20059109 Mix (149.09889s) stopped
T12 << 1462279789.20065308 Density (5738.88168s) stopped
T12 >> 1462279789.20068002 Hamiltonian (16366.55766s) started
T12 >> 1462279789.20069504 vbar (9.57402s) started
T12 << 1462279789.23364997 vbar (9.60697s) stopped
T12 >> 1462279789.23382711 XC 3D grid (9884.96767s) started
T12 >> 1462279789.69727492 van der Waals (9551.02134s) started
T12 >> 1462279789.81267810 semilocal (2013.60047s) started
T12 << 1462279795.56907701 semilocal (2019.35687s) stopped
T12 >> 1462279795.64138103 redistribute (1028.37001s) started
T12 << 1462279796.65491891 redistribute (1029.38355s) stopped
T12 >> 1462279796.65496111 libvdwxc nonlocal (6442.39384s) started
T12 << 1462279814.95817399 libvdwxc nonlocal (6460.69705s) stopped
T12 >> 1462279814.95823598 redistribute (1029.38358s) started
T12 << 1462279816.65540600 redistribute (1031.08075s) stopped
T12 << 1462279816.65657592 van der Waals (9577.98064s) stopped
T12 << 1462279817.10993791 XC 3D grid (9912.84378s) stopped
T12 >> 1462279817.10997796 Poisson (2218.12935s) started
T12 << 1462279822.91147304 Poisson (2223.93084s) stopped
T12 >> 1462279822.91154408 Hartree integrate/restrict (128.63603s) started
T12 << 1462279822.96177506 Hartree integrate/restrict (128.68626s) stopped
T12 >> 1462279822.96183109 Hartree integrate/restrict (128.68629s) started
T12 << 1462279823.27755189 Hartree integrate/restrict (129.00201s) stopped
T12 >> 1462279823.27763700 Atomic (833.35695s) started
T12 >> 1462279823.27937794 XC Correction (0.01144s) started
T12 << 1462279823.27940011 XC Correction (0.01146s) stopped
T12 << 1462279825.68180799 Atomic (835.76113s) stopped
T12 >> 1462279825.68194795 Communicate (3291.74060s) started
T12 << 1462279839.65686798 Communicate (3305.71552s) stopped
T12 << 1462279839.65690494 Hamiltonian (16417.01388s) stopped
T12 >> 1462279839.65692997 LCAO eigensolver (23776.07157s) started
T12 >> 1462279839.65694189 Potential matrix (358.81202s) started
T12 << 1462279840.59979296 Potential matrix (359.75487s) stopped
T12 >> 1462279840.59986305 DistributedAtomicCorrection (143.50662s) started
T12 << 1462279841.00684595 DistributedAtomicCorrection (143.91361s) stopped
T12 >> 1462279841.00691104 Distribute overlap matrix (2626.96449s) started
T12 >> 1462279841.00693297 blocked summation (1475.54436s) started
T12 << 1462279845.13426995 blocked summation (1479.67170s) stopped
T12 >> 1462279845.14400792 Scalapack redistribute (1147.75458s) started
T12 << 1462279848.68651199 Scalapack redistribute (1151.29709s) stopped
T12 << 1462279848.68661404 Distribute overlap matrix (2634.64419s) stopped
T12 >> 1462279848.69133401 Blacs Orbital Layouts (19994.91611s) started
T12 >> 1462279848.69984198 General diagonalize (19913.80345s) started
T12 << 1462279900.87167192 General diagonalize (19965.97528s) stopped
T12 >> 1462279900.87172389 Redistribute coefs (2.98112s) started
T12 << 1462279900.88035798 Redistribute coefs (2.98976s) stopped
T12 >> 1462279900.88040304 Send coefs to domains (74.78902s) started
T12 << 1462279900.97537899 Send coefs to domains (74.88399s) stopped
T12 << 1462279900.97580194 Blacs Orbital Layouts (20047.20058s) stopped
T12 >> 1462279900.97583508 Calculate projections (650.04595s) started
T12 << 1462279902.75436592 Calculate projections (651.82448s) stopped
T12 << 1462279902.75483990 LCAO eigensolver (23839.16948s) stopped
T12 >> 1462279905.87904692 Density (5738.88169s) started
T12 >> 1462279905.87906194 Pseudo density (4448.06441s) started
T12 >> 1462279905.88169789 Calculate density matrix (4180.78871s) started
T12 << 1462279917.80034089 Calculate density matrix (4192.70736s) stopped
T12 >> 1462279917.80039811 Construct density (260.23886s) started
T12 << 1462279918.55218792 Construct density (260.99065s) stopped
T12 >> 1462279918.56598902 Symmetrize density (0.02960s) started
T12 << 1462279918.56605601 Symmetrize density (0.02966s) stopped
T12 << 1462279918.56821489 Pseudo density (4460.75356s) stopped
T12 >> 1462279918.56828189 Atomic density matrices (1135.60207s) started
T12 << 1462279921.93374991 Atomic density matrices (1138.96754s) stopped
T12 >> 1462279921.93378711 Multipole moments (3.70944s) started
T12 << 1462279921.94691491 Multipole moments (3.72257s) stopped
T12 >> 1462279921.94694805 Normalize (2.38019s) started
T12 << 1462279921.95340896 Normalize (2.38665s) stopped
T12 >> 1462279921.95348406 Mix (149.09895s) started
T12 << 1462279922.38076305 Mix (149.52623s) stopped
T12 << 1462279922.38083100 Density (5755.38348s) stopped
T12 >> 1462279922.38085890 Hamiltonian (16417.01390s) started
T12 >> 1462279922.38087392 vbar (9.60706s) started
T12 << 1462279922.40429306 vbar (9.63048s) stopped
T12 >> 1462279922.40441298 XC 3D grid (9912.84381s) started
T12 >> 1462279923.00274801 van der Waals (9577.98066s) started
T12 >> 1462279923.11676002 semilocal (2019.35695s) started
T12 << 1462279928.83687305 semilocal (2025.07706s) stopped
T12 >> 1462279928.91896892 redistribute (1031.08079s) started
T12 << 1462279930.02452493 redistribute (1032.18635s) stopped
T12 >> 1462279930.02457500 libvdwxc nonlocal (6460.69710s) started
T12 << 1462279948.01496196 libvdwxc nonlocal (6478.68748s) stopped
T12 >> 1462279948.01504707 redistribute (1032.18639s) started
T12 << 1462279950.16877294 redistribute (1034.34011s) stopped
T12 << 1462279950.17006111 van der Waals (9605.14798s) stopped
T12 << 1462279950.62713099 XC 3D grid (9941.06653s) stopped
T12 >> 1462279950.62719297 Poisson (2223.93089s) started
T12 << 1462279956.50954199 Poisson (2229.81324s) stopped
T12 >> 1462279956.50962996 Hartree integrate/restrict (129.00206s) started
T12 << 1462279956.54827905 Hartree integrate/restrict (129.04071s) stopped
T12 >> 1462279956.54842591 Hartree integrate/restrict (129.04081s) started
T12 << 1462279956.86693907 Hartree integrate/restrict (129.35932s) stopped
T12 >> 1462279956.86705089 Atomic (835.76115s) started
T12 >> 1462279956.86890888 XC Correction (0.01147s) started
T12 << 1462279956.86892796 XC Correction (0.01149s) stopped
T12 << 1462279959.27681899 Atomic (838.17092s) stopped
T12 >> 1462279959.27695799 Communicate (3305.71554s) started
T12 << 1462279973.24517608 Communicate (3319.68376s) stopped
T12 << 1462279973.24521089 Hamiltonian (16467.87825s) stopped
T12 >> 1462279973.24523592 LCAO eigensolver (23839.16949s) started
T12 >> 1462279973.24524903 Potential matrix (359.75491s) started
T12 << 1462279974.20135403 Potential matrix (360.71102s) stopped
T12 >> 1462279974.20145011 DistributedAtomicCorrection (143.91365s) started
T12 << 1462279974.61285210 DistributedAtomicCorrection (144.32505s) stopped
T12 >> 1462279974.61291909 Distribute overlap matrix (2634.64420s) started
T12 >> 1462279974.61294389 blocked summation (1479.67175s) started
T12 << 1462279978.72590590 blocked summation (1483.78471s) stopped
T12 >> 1462279978.73551607 Scalapack redistribute (1151.29715s) started
T12 << 1462279982.39229298 Scalapack redistribute (1154.95393s) stopped
T12 << 1462279982.39241195 Distribute overlap matrix (2642.42369s) stopped
T12 >> 1462279982.39667296 Blacs Orbital Layouts (20047.20060s) started
T12 >> 1462279982.40526605 General diagonalize (19965.97532s) started
T12 << 1462280035.92305493 General diagonalize (20019.49311s) stopped
T12 >> 1462280035.92310810 Redistribute coefs (2.98979s) started
T12 << 1462280035.93150496 Redistribute coefs (2.99819s) stopped
T12 >> 1462280035.93155789 Send coefs to domains (74.88403s) started
T12 << 1462280036.27218294 Send coefs to domains (75.22465s) stopped
T12 << 1462280036.27261400 Blacs Orbital Layouts (20101.07654s) stopped
T12 >> 1462280036.27264500 Calculate projections (651.82453s) started
T12 << 1462280038.05134106 Calculate projections (653.60323s) stopped
T12 << 1462280038.05173206 LCAO eigensolver (23903.97599s) stopped
T12 >> 1462280041.15075994 Density (5755.38349s) started
T12 >> 1462280041.15077591 Pseudo density (4460.75362s) started
T12 >> 1462280041.15302300 Calculate density matrix (4192.70740s) started
T12 << 1462280053.12339306 Calculate density matrix (4204.67777s) stopped
T12 >> 1462280053.12344790 Construct density (260.99071s) started
T12 << 1462280053.87614012 Construct density (261.74340s) stopped
T12 >> 1462280053.89105701 Symmetrize density (0.02968s) started
T12 << 1462280053.89113092 Symmetrize density (0.02976s) stopped
T12 << 1462280053.89328289 Pseudo density (4473.49612s) stopped
T12 >> 1462280053.89335299 Atomic density matrices (1138.96756s) started
T12 << 1462280057.28062797 Atomic density matrices (1142.35484s) stopped
T12 >> 1462280057.28066707 Multipole moments (3.72259s) started
T12 << 1462280057.29386401 Multipole moments (3.73578s) stopped
T12 >> 1462280057.29389691 Normalize (2.38670s) started
T12 << 1462280057.30018711 Normalize (2.39299s) stopped
T12 >> 1462280057.30025506 Mix (149.52629s) started
T12 << 1462280057.75716090 Mix (149.98320s) stopped
T12 << 1462280057.75722408 Density (5771.98995s) stopped
T12 >> 1462280057.75725293 Hamiltonian (16467.87826s) started
T12 >> 1462280057.75726795 vbar (9.63055s) started
T12 << 1462280057.77809000 vbar (9.65137s) stopped
T12 >> 1462280057.77821302 XC 3D grid (9941.06658s) started
T12 >> 1462280058.27007699 van der Waals (9605.14801s) started
T12 >> 1462280058.38523102 semilocal (2025.07719s) started
T12 << 1462280064.21938992 semilocal (2030.91135s) stopped
T12 >> 1462280064.29733610 redistribute (1034.34015s) started
T12 << 1462280065.25669909 redistribute (1035.29952s) stopped
T12 >> 1462280065.25675011 libvdwxc nonlocal (6478.68755s) started
T12 << 1462280083.53308392 libvdwxc nonlocal (6496.96388s) stopped
T12 >> 1462280083.53316903 redistribute (1035.29956s) started
T12 << 1462280085.63885689 redistribute (1037.40524s) stopped
T12 << 1462280085.64000106 van der Waals (9632.51793s) stopped
T12 << 1462280086.09716392 XC 3D grid (9969.38553s) stopped
T12 >> 1462280086.09721303 Poisson (2229.81330s) started
T12 << 1462280090.45955300 Poisson (2234.17564s) stopped
T12 >> 1462280090.45965409 Hartree integrate/restrict (129.35938s) started
T12 << 1462280090.49692893 Hartree integrate/restrict (129.39665s) stopped
T12 >> 1462280090.49703097 Hartree integrate/restrict (129.39672s) started
T12 << 1462280090.82477307 Hartree integrate/restrict (129.72446s) stopped
T12 >> 1462280090.82486892 Atomic (838.17095s) started
T12 >> 1462280090.82656908 XC Correction (0.01151s) started
T12 << 1462280090.82658291 XC Correction (0.01152s) stopped
T12 << 1462280093.23472404 Atomic (840.58080s) stopped
T12 >> 1462280093.23484707 Communicate (3319.68378s) started
T12 << 1462280107.24270105 Communicate (3333.69164s) stopped
T12 << 1462280107.24272990 Hamiltonian (16517.36374s) stopped
T12 >> 1462280107.24275303 LCAO eigensolver (23903.97601s) started
T12 >> 1462280107.24276590 Potential matrix (360.71107s) started
T12 << 1462280108.20834994 Potential matrix (361.67665s) stopped
T12 >> 1462280108.20843410 DistributedAtomicCorrection (144.32509s) started
T12 << 1462280108.61372900 DistributedAtomicCorrection (144.73038s) stopped
T12 >> 1462280108.61379504 Distribute overlap matrix (2642.42371s) started
T12 >> 1462280108.61382008 blocked summation (1483.78475s) started
T12 << 1462280112.73686790 blocked summation (1487.90780s) stopped
T12 >> 1462280112.74651098 Scalapack redistribute (1154.95400s) started
T12 << 1462280116.34259105 Scalapack redistribute (1158.55008s) stopped
T12 << 1462280116.34270692 Distribute overlap matrix (2650.15262s) stopped
T12 >> 1462280116.34683394 Blacs Orbital Layouts (20101.07656s) started
T12 >> 1462280116.35560703 General diagonalize (20019.49316s) started
T12 << 1462280170.37721801 General diagonalize (20073.51477s) stopped
T12 >> 1462280170.37726402 Redistribute coefs (2.99823s) started
T12 << 1462280170.38470697 Redistribute coefs (3.00567s) stopped
T12 >> 1462280170.38476801 Send coefs to domains (75.22469s) started
T12 << 1462280170.52739191 Send coefs to domains (75.36732s) stopped
T12 << 1462280170.52788305 Blacs Orbital Layouts (20155.25761s) stopped
T12 >> 1462280170.52791095 Calculate projections (653.60329s) started
T12 << 1462280172.29813600 Calculate projections (655.37351s) stopped
T12 << 1462280172.29860497 LCAO eigensolver (23969.03186s) stopped
T12 >> 1462280175.40799189 Density (5771.98997s) started
T12 >> 1462280175.40800691 Pseudo density (4473.49618s) started
T12 >> 1462280175.41052198 Calculate density matrix (4204.67781s) started
T12 << 1462280187.24413109 Calculate density matrix (4216.51142s) stopped
T12 >> 1462280187.24417901 Construct density (261.74346s) started
T12 << 1462280187.99510598 Construct density (262.49438s) stopped
T12 >> 1462280188.01151705 Symmetrize density (0.02977s) started
T12 << 1462280188.01157498 Symmetrize density (0.02983s) stopped
T12 << 1462280188.01405597 Pseudo density (4486.10223s) stopped
T12 >> 1462280188.01411390 Atomic density matrices (1142.35487s) started
T12 << 1462280191.38064909 Atomic density matrices (1145.72140s) stopped
T12 >> 1462280191.38068295 Multipole moments (3.73580s) started
T12 << 1462280191.39393306 Multipole moments (3.74905s) stopped
T12 >> 1462280191.39396501 Normalize (2.39304s) started
T12 << 1462280191.40076709 Normalize (2.39984s) stopped
T12 >> 1462280191.40080690 Mix (149.98326s) started
T12 << 1462280191.84031606 Mix (150.42277s) stopped
T12 << 1462280191.84039092 Density (5788.42237s) stopped
T12 >> 1462280191.84042001 Hamiltonian (16517.36375s) started
T12 >> 1462280191.84043407 vbar (9.65144s) started
T12 << 1462280191.86532903 vbar (9.67634s) stopped
T12 >> 1462280191.86540890 XC 3D grid (9969.38557s) started
T12 >> 1462280192.36426210 van der Waals (9632.51797s) started
T12 >> 1462280192.47917891 semilocal (2030.91145s) started
T12 << 1462280198.17685890 semilocal (2036.60913s) stopped
T12 >> 1462280198.25604606 redistribute (1037.40529s) started
T12 << 1462280199.36827302 redistribute (1038.51751s) stopped
T12 >> 1462280199.36831689 libvdwxc nonlocal (6496.96395s) started
T12 << 1462280217.66710901 libvdwxc nonlocal (6515.26274s) stopped
T12 >> 1462280217.66717410 redistribute (1038.51755s) started
T12 << 1462280219.42753410 redistribute (1040.27791s) stopped
T12 << 1462280219.42864203 van der Waals (9659.58235s) stopped
T12 << 1462280219.88544512 XC 3D grid (9997.40561s) stopped
T12 >> 1462280219.88550997 Poisson (2234.17571s) started
T12 << 1462280222.79399395 Poisson (2237.08420s) stopped
T12 >> 1462280222.79413295 Hartree integrate/restrict (129.72450s) started
T12 << 1462280222.83633804 Hartree integrate/restrict (129.76671s) stopped
T12 >> 1462280222.83641410 Hartree integrate/restrict (129.76676s) started
T12 << 1462280223.15235996 Hartree integrate/restrict (130.08271s) stopped
T12 >> 1462280223.15245104 Atomic (840.58083s) started
T12 >> 1462280223.15415406 XC Correction (0.01153s) started
T12 << 1462280223.15417695 XC Correction (0.01155s) stopped
T12 << 1462280225.56148505 Atomic (842.98986s) stopped
T12 >> 1462280225.56158304 Communicate (3333.69166s) started
T12 << 1462280239.49438000 Communicate (3347.62445s) stopped
T12 << 1462280239.49441791 Hamiltonian (16565.01775s) stopped
T12 >> 1462280239.49444389 LCAO eigensolver (23969.03188s) started
T12 >> 1462280239.49445701 Potential matrix (361.67670s) started
T12 << 1462280240.45222712 Potential matrix (362.63447s) stopped
T12 >> 1462280240.45231509 DistributedAtomicCorrection (144.73042s) started
T12 << 1462280240.86733508 DistributedAtomicCorrection (145.14544s) stopped
T12 >> 1462280240.86739898 Distribute overlap matrix (2650.15263s) started
T12 >> 1462280240.86742091 blocked summation (1487.90783s) started
T12 << 1462280245.01058102 blocked summation (1492.05099s) stopped
T12 >> 1462280245.02014709 Scalapack redistribute (1158.55015s) started
T12 << 1462280248.61664701 Scalapack redistribute (1162.14665s) stopped
T12 << 1462280248.61674500 Distribute overlap matrix (2657.90198s) stopped
T12 >> 1462280248.62121201 Blacs Orbital Layouts (20155.25763s) started
T12 >> 1462280248.63083506 General diagonalize (20073.51481s) started
T12 << 1462280300.63463712 General diagonalize (20125.51861s) stopped
T12 >> 1462280300.63468194 Redistribute coefs (3.00572s) started
T12 << 1462280300.64181399 Redistribute coefs (3.01285s) stopped
T12 >> 1462280300.64189005 Send coefs to domains (75.36735s) started
T12 << 1462280300.90899992 Send coefs to domains (75.63446s) stopped
T12 << 1462280300.90941811 Blacs Orbital Layouts (20207.54584s) stopped
T12 >> 1462280300.90944505 Calculate projections (655.37356s) started
T12 << 1462280302.67916012 Calculate projections (657.14328s) stopped
T12 << 1462280302.67951107 LCAO eigensolver (24032.21695s) stopped
T12 >> 1462280305.80873394 Density (5788.42238s) started
T12 >> 1462280305.80874896 Pseudo density (4486.10228s) started
T12 >> 1462280305.81164289 Calculate density matrix (4216.51145s) started
T12 << 1462280317.66657495 Calculate density matrix (4228.36638s) stopped
T12 >> 1462280317.66662312 Construct density (262.49443s) started
T12 << 1462280318.41745710 Construct density (263.24527s) stopped
T12 >> 1462280318.43485689 Symmetrize density (0.02985s) started
T12 << 1462280318.43491411 Symmetrize density (0.02990s) stopped
T12 << 1462280318.43738794 Pseudo density (4498.73092s) stopped
T12 >> 1462280318.43744612 Atomic density matrices (1145.72143s) started
T12 << 1462280321.81453609 Atomic density matrices (1149.09852s) stopped
T12 >> 1462280321.81456900 Multipole moments (3.74907s) started
T12 << 1462280321.82784510 Multipole moments (3.76234s) stopped
T12 >> 1462280321.82787490 Normalize (2.39987s) started
T12 << 1462280321.83711410 Normalize (2.40911s) stopped
T12 >> 1462280321.83715510 Mix (150.42284s) started
T12 << 1462280322.28129911 Mix (150.86699s) stopped
T12 << 1462280322.28134799 Density (5804.89500s) stopped
T12 >> 1462280322.28137207 Hamiltonian (16565.01776s) started
T12 >> 1462280322.28138590 vbar (9.67638s) started
T12 << 1462280322.31008697 vbar (9.70508s) stopped
T12 >> 1462280322.31030011 XC 3D grid (9997.40566s) started
T12 >> 1462280322.77840400 van der Waals (9659.58239s) started
T12 >> 1462280322.89496708 semilocal (2036.60926s) started
T12 << 1462280328.68437696 semilocal (2042.39867s) stopped
T12 >> 1462280328.76070905 redistribute (1040.27794s) started
T12 << 1462280329.77581310 redistribute (1041.29304s) stopped
T12 >> 1462280329.77585411 libvdwxc nonlocal (6515.26279s) started
T12 << 1462280348.21874690 libvdwxc nonlocal (6533.70568s) stopped
T12 >> 1462280348.21882391 redistribute (1041.29308s) started
T12 << 1462280350.11311698 redistribute (1043.18737s) stopped
T12 << 1462280350.11400199 van der Waals (9686.91799s) stopped
T12 << 1462280350.58286595 XC 3D grid (10025.67823s) stopped
T12 >> 1462280350.58292007 Poisson (2237.08431s) started
T12 << 1462280354.94537592 Poisson (2241.44677s) stopped
T12 >> 1462280354.94551110 Hartree integrate/restrict (130.08275s) started
T12 << 1462280354.98618793 Hartree integrate/restrict (130.12343s) stopped
T12 >> 1462280354.98625994 Hartree integrate/restrict (130.12348s) started
T12 << 1462280355.32026005 Hartree integrate/restrict (130.45748s) stopped
T12 >> 1462280355.32036090 Atomic (842.98988s) started
T12 >> 1462280355.32254004 XC Correction (0.01157s) started
T12 << 1462280355.32258391 XC Correction (0.01161s) stopped
T12 << 1462280357.72472906 Atomic (845.39425s) stopped
T12 >> 1462280357.72481799 Communicate (3347.62448s) started
T12 << 1462280371.65727711 Communicate (3361.55694s) stopped
T12 << 1462280371.65731096 Hamiltonian (16614.39370s) stopped
T12 >> 1462280371.65733504 LCAO eigensolver (24032.21697s) started
T12 >> 1462280371.65734792 Potential matrix (362.63452s) started
T12 << 1462280372.60856509 Potential matrix (363.58574s) stopped
T12 >> 1462280372.60863590 DistributedAtomicCorrection (145.14548s) started
T12 << 1462280373.01913190 DistributedAtomicCorrection (145.55597s) stopped
T12 >> 1462280373.01919508 Distribute overlap matrix (2657.90199s) started
T12 >> 1462280373.01921606 blocked summation (1492.05105s) started
T12 << 1462280377.20897388 blocked summation (1496.24081s) stopped
T12 >> 1462280377.21858692 Scalapack redistribute (1162.14671s) started
T12 << 1462280380.82358789 Scalapack redistribute (1165.75171s) stopped
T12 << 1462280380.82368898 Distribute overlap matrix (2665.70649s) stopped
T12 >> 1462280380.82834411 Blacs Orbital Layouts (20207.54585s) started
T12 >> 1462280380.83730292 General diagonalize (20125.51865s) started
T12 << 1462280435.22491288 General diagonalize (20179.90626s) stopped
T12 >> 1462280435.22496104 Redistribute coefs (3.01292s) started
T12 << 1462280435.23218703 Redistribute coefs (3.02014s) stopped
T12 >> 1462280435.23226309 Send coefs to domains (75.63449s) started
T12 << 1462280435.54099798 Send coefs to domains (75.94323s) stopped
T12 << 1462280435.54141593 Blacs Orbital Layouts (20262.25893s) stopped
T12 >> 1462280435.54144406 Calculate projections (657.14333s) started
T12 << 1462280437.31130409 Calculate projections (658.91319s) stopped
T12 << 1462280437.31165290 LCAO eigensolver (24097.87128s) stopped
T12 >> 1462280440.43562198 Density (5804.89501s) started
T12 >> 1462280440.43563604 Pseudo density (4498.73096s) started
T12 >> 1462280440.43865705 Calculate density matrix (4228.36641s) started
T12 << 1462280452.30180192 Calculate density matrix (4240.22956s) stopped
T12 >> 1462280452.30184889 Construct density (263.24532s) started
T12 << 1462280453.05370402 Construct density (263.99718s) stopped
T12 >> 1462280453.07121801 Symmetrize density (0.02992s) started
T12 << 1462280453.07127595 Symmetrize density (0.02998s) stopped
T12 << 1462280453.07377005 Pseudo density (4511.36910s) stopped
T12 >> 1462280453.07383108 Atomic density matrices (1149.09854s) started
T12 << 1462280456.42015409 Atomic density matrices (1152.44486s) stopped
T12 >> 1462280456.42018700 Multipole moments (3.76236s) started
T12 << 1462280456.43291092 Multipole moments (3.77508s) stopped
T12 >> 1462280456.43294191 Normalize (2.40914s) started
T12 << 1462280456.43975592 Normalize (2.41596s) stopped
T12 >> 1462280456.43979597 Mix (150.86703s) started
T12 << 1462280456.86995006 Mix (151.29719s) stopped
T12 << 1462280456.86999989 Density (5821.32939s) stopped
T12 >> 1462280456.87002492 Hamiltonian (16614.39371s) started
T12 >> 1462280456.87003899 vbar (9.70521s) started
T12 << 1462280456.89317894 vbar (9.72835s) stopped
T12 >> 1462280456.89329290 XC 3D grid (10025.67827s) started
T12 >> 1462280457.38955808 van der Waals (9686.91801s) started
T12 >> 1462280457.50302696 semilocal (2042.39875s) started
T12 << 1462280463.18608594 semilocal (2048.08181s) stopped
T12 >> 1462280463.26588511 redistribute (1043.18740s) started
T12 << 1462280464.34514809 redistribute (1044.26666s) stopped
T12 >> 1462280464.34519005 libvdwxc nonlocal (6533.70574s) started
T12 << 1462280482.65687394 libvdwxc nonlocal (6552.01743s) stopped
T12 >> 1462280482.65693688 redistribute (1044.26670s) started
T12 << 1462280484.45274496 redistribute (1046.06250s) stopped
T12 << 1462280484.45369506 van der Waals (9713.98215s) stopped
T12 << 1462280484.90971208 XC 3D grid (10053.69469s) stopped
T12 >> 1462280484.90975308 Poisson (2241.44687s) started
T12 << 1462280487.82543802 Poisson (2244.36256s) stopped
T12 >> 1462280487.82551408 Hartree integrate/restrict (130.45753s) started
T12 << 1462280487.86723900 Hartree integrate/restrict (130.49926s) stopped
T12 >> 1462280487.86728191 Hartree integrate/restrict (130.49928s) started
T12 << 1462280488.18518090 Hartree integrate/restrict (130.81718s) stopped
T12 >> 1462280488.18525791 Atomic (845.39427s) started
T12 >> 1462280488.18690109 XC Correction (0.01163s) started
T12 << 1462280488.18691611 XC Correction (0.01164s) stopped
T12 << 1462280490.58693910 Atomic (847.79596s) stopped
T12 >> 1462280490.58702493 Communicate (3361.55696s) started
T12 << 1462280504.34551907 Communicate (3375.31545s) stopped
T12 << 1462280504.34555602 Hamiltonian (16661.86925s) stopped
T12 >> 1462280504.34558105 LCAO eigensolver (24097.87130s) started
T12 >> 1462280504.34559298 Potential matrix (363.58578s) started
T12 << 1462280505.30609393 Potential matrix (364.54628s) stopped
T12 >> 1462280505.30617809 DistributedAtomicCorrection (145.55601s) started
T12 << 1462280505.71500802 DistributedAtomicCorrection (145.96484s) stopped
T12 >> 1462280505.71507001 Distribute overlap matrix (2665.70650s) started
T12 >> 1462280505.71509194 blocked summation (1496.24086s) started
T12 << 1462280509.91587901 blocked summation (1500.44164s) stopped
T12 >> 1462280509.92561293 Scalapack redistribute (1165.75177s) started
T12 << 1462280513.49086499 Scalapack redistribute (1169.31702s) stopped
T12 << 1462280513.49095988 Distribute overlap matrix (2673.48239s) stopped
T12 >> 1462280513.49568605 Blacs Orbital Layouts (20262.25894s) started
T12 >> 1462280513.50459909 General diagonalize (20179.90630s) started
T12 << 1462280568.01511788 General diagonalize (20234.41682s) stopped
T12 >> 1462280568.01516390 Redistribute coefs (3.02020s) started
T12 << 1462280568.02212405 Redistribute coefs (3.02716s) stopped
T12 >> 1462280568.02220511 Send coefs to domains (75.94326s) started
T12 << 1462280568.25587296 Send coefs to domains (76.17693s) stopped
T12 << 1462280568.25625992 Blacs Orbital Layouts (20317.01952s) stopped
T12 >> 1462280568.25629091 Calculate projections (658.91324s) started
T12 << 1462280570.03038502 Calculate projections (660.68733s) stopped
T12 << 1462280570.03074002 LCAO eigensolver (24163.55646s) stopped
T12 << 1462280573.14793491 SCF-cycle (47853.48606s) stopped
T12 >> 1462280575.20620799 Force calculation (1881.91267s) started
T12 >> 1462280575.20628190 LCAO forces (1861.30619s) started
T12 >> 1462280575.20664191 Initial (0.00056s) started
T12 << 1462280575.20665312 Initial (0.00057s) stopped
T12 >> 1462280575.21312499 Get density matrix (982.02308s) started
T12 << 1462280585.98177409 Get density matrix (992.79172s) stopped
T12 >> 1462280585.98181605 Potential (148.45406s) started
T12 << 1462280591.97943211 Potential (154.45167s) stopped
T12 >> 1462280591.97948909 Get density matrix (992.79176s) started
T12 << 1462280622.94404197 Get density matrix (1023.75631s) stopped
T12 >> 1462280622.94410110 Prepare TCI loop (51.78256s) started
T12 >> 1462280622.94459701 Get neighbors (47.04272s) started
T12 << 1462280624.86125708 Get neighbors (48.95938s) stopped
T12 >> 1462280624.86157608 broadcast dH (4.71227s) started
T12 << 1462280625.06588793 broadcast dH (4.91658s) stopped
T12 << 1462280625.06593108 Prepare TCI loop (53.90439s) stopped
T12 >> 1462280625.06595111 Not so complicated loop (2.88909s) started
T12 << 1462280625.18011904 Not so complicated loop (3.00326s) stopped
T12 >> 1462280625.29208708 Complicated loop (441.19113s) started
T12 << 1462280643.83152890 Complicated loop (459.73058s) stopped
T12 >> 1462280643.83249903 Wait for sum (231.93748s) started
T12 << 1462280653.49867010 Wait for sum (241.60366s) stopped
T12 << 1462280653.49870610 LCAO forces (1939.59861s) stopped
T12 << 1462280654.32078791 Force calculation (1961.02725s) stopped
T12 >> 1462280654.33860898 Initialization (3096.15445s) started
T12 << 1462280654.33878303 Initialization (3096.15463s) stopped
T12 >> 1462280654.33901596 Initialization (3096.15464s) started
T12 << 1462280654.33914590 Initialization (3096.15477s) stopped
T12 >> 1462280654.33928108 Initialization (3096.15479s) started
T12 << 1462280654.33940792 Initialization (3096.15491s) stopped
T12 >> 1462280674.73045111 Initialization (3096.15493s) started
T12 >> 1462280674.73258996 Basic WFS set positions (2.17984s) started
T12 >> 1462280674.73260999 Redistribute (0.01047s) started
T12 << 1462280674.73273706 Redistribute (0.01060s) stopped
T12 << 1462280674.81981397 Basic WFS set positions (2.26706s) stopped
T12 >> 1462280674.81983805 Basis functions set positions (44.68668s) started
T12 << 1462280676.67691302 Basis functions set positions (46.54375s) stopped
T12 >> 1462280676.67737293 TCI: Calculate S, T, P (376.88749s) started
T12 << 1462280691.81184196 TCI: Calculate S, T, P (392.02196s) stopped
T12 >> 1462280691.81189609 blocked summation (519.46873s) started
T12 << 1462280714.54427505 blocked summation (542.20111s) stopped
T12 >> 1462280714.55390906 Scalapack redistribute (198.84623s) started
T12 << 1462280724.96335793 Scalapack redistribute (209.25568s) stopped
T12 >> 1462280724.96452904 blocked summation (542.20117s) started
T12 << 1462280725.99002004 blocked summation (543.22666s) stopped
T12 >> 1462280725.99945211 Scalapack redistribute (209.25575s) started
T12 << 1462280726.21999097 Scalapack redistribute (209.47629s) stopped
T12 >> 1462280726.22207904 Redistribute (0.08218s) started
T12 << 1462280726.22259402 Redistribute (0.08269s) stopped
T12 >> 1462280727.89802694 Redistribute (0.08271s) started
T12 << 1462280727.89847589 Redistribute (0.08316s) stopped
T12 >> 1462280727.91362405 LCAO WFS Initialize (1902.34447s) started
T12 >> 1462280727.91366410 Density initialize from wavefunctions (355.57600s) started
T12 >> 1462280727.91891003 Calculate density matrix (247.30036s) started
T12 << 1462280737.73218489 Calculate density matrix (257.11364s) stopped
T12 >> 1462280737.73223400 Construct density (18.58583s) started
T12 << 1462280738.48391891 Construct density (19.33751s) stopped
T12 >> 1462280738.49826097 Symmetrize density (0.00198s) started
T12 << 1462280738.49831700 Symmetrize density (0.00204s) stopped
T12 << 1462280742.17145395 Density initialize from wavefunctions (369.83379s) stopped
T12 >> 1462280742.17170596 Hamiltonian (1545.84768s) started
T12 >> 1462280742.17172289 vbar (0.74645s) started
T12 << 1462280742.19166899 vbar (0.76640s) stopped
T12 >> 1462280742.19173288 XC 3D grid (747.60973s) started
T12 >> 1462280742.68691397 van der Waals (722.78023s) started
T12 >> 1462280742.80084491 semilocal (150.70832s) started
T12 << 1462280748.63639092 semilocal (156.54386s) stopped
T12 >> 1462280748.71090508 redistribute (86.70853s) started
T12 << 1462280749.65987396 redistribute (87.65750s) stopped
T12 >> 1462280749.65992808 libvdwxc nonlocal (480.37766s) started
T12 << 1462280767.95207310 libvdwxc nonlocal (498.66981s) stopped
T12 >> 1462280767.95213699 redistribute (87.65754s) started
T12 << 1462280770.45929694 redistribute (90.16470s) stopped
T12 << 1462280770.46032596 van der Waals (750.55364s) stopped
T12 << 1462280770.91693091 XC 3D grid (776.33492s) stopped
T12 >> 1462280770.91698599 Poisson (416.52492s) started
T12 << 1462280781.12011909 Poisson (426.72806s) stopped
T12 >> 1462280781.12021804 Hartree integrate/restrict (9.63588s) started
T12 << 1462280781.16712499 Hartree integrate/restrict (9.68279s) stopped
T12 >> 1462280781.16717792 Hartree integrate/restrict (9.68283s) started
T12 << 1462280781.47711492 Hartree integrate/restrict (9.99276s) stopped
T12 >> 1462280781.47720504 Atomic (61.29615s) started
T12 >> 1462280781.47918510 XC Correction (0.00107s) started
T12 << 1462280781.47919893 XC Correction (0.00108s) stopped
T12 << 1462280783.85458899 Atomic (63.67353s) stopped
T12 >> 1462280783.85478711 Communicate (309.99738s) started
T12 << 1462280799.61399388 Communicate (325.75659s) stopped
T12 << 1462280799.61403203 Hamiltonian (1603.29001s) stopped
T12 << 1462280799.61404610 LCAO WFS Initialize (1974.04489s) stopped
T12 << 1462280799.62619090 Initialization (3221.05067s) stopped
T12 >> 1462280799.65208101 SCF-cycle (47853.48608s) started
T12 >> 1462280799.65211797 LCAO eigensolver (24163.55648s) started
T12 >> 1462280799.65212989 Potential matrix (364.54633s) started
T12 << 1462280800.61334395 Potential matrix (365.50754s) stopped
T12 >> 1462280800.61342907 DistributedAtomicCorrection (145.96488s) started
T12 << 1462280801.00285912 DistributedAtomicCorrection (146.35431s) stopped
T12 >> 1462280801.00290704 Distribute overlap matrix (2673.48240s) started
T12 >> 1462280801.00293589 blocked summation (1500.44170s) started
T12 << 1462280805.15609193 blocked summation (1504.59486s) stopped
T12 >> 1462280805.16518497 Scalapack redistribute (1169.31708s) started
T12 << 1462280808.66370392 Scalapack redistribute (1172.81560s) stopped
T12 << 1462280808.66378498 Distribute overlap matrix (2681.14328s) stopped
T12 >> 1462280808.66797996 Blacs Orbital Layouts (20317.01954s) started
T12 >> 1462280808.67679310 General diagonalize (20234.41685s) started
T12 << 1462280864.28772211 General diagonalize (20290.02778s) stopped
T12 >> 1462280864.28776789 Redistribute coefs (3.02723s) started
T12 << 1462280864.29587293 Redistribute coefs (3.03534s) stopped
T12 >> 1462280864.29591703 Send coefs to domains (76.17696s) started
T12 << 1462280864.63987803 Send coefs to domains (76.52092s) stopped
T12 << 1462280864.64031911 Blacs Orbital Layouts (20372.99188s) stopped
T12 >> 1462280864.64034605 Calculate projections (660.68738s) started
T12 << 1462280866.41010594 Calculate projections (662.45714s) stopped
T12 << 1462280866.41029906 LCAO eigensolver (24230.31466s) stopped
T12 >> 1462280869.60119796 Density (5821.32940s) started
T12 >> 1462280869.60121298 Pseudo density (4511.36915s) started
T12 >> 1462280869.60401011 Calculate density matrix (4240.22959s) started
T12 << 1462280881.43968105 Calculate density matrix (4252.06526s) stopped
T12 >> 1462280881.43972993 Construct density (263.99723s) started
T12 << 1462280882.19360304 Construct density (264.75110s) stopped
T12 >> 1462280882.20773411 Symmetrize density (0.02999s) started
T12 << 1462280882.20780802 Symmetrize density (0.03007s) stopped
T12 << 1462280882.20983601 Pseudo density (4523.97777s) stopped
T12 >> 1462280882.20989394 Atomic density matrices (1152.44489s) started
T12 << 1462280885.52675605 Atomic density matrices (1155.76175s) stopped
T12 >> 1462280885.52679205 Multipole moments (3.77510s) started
T12 << 1462280885.53925705 Multipole moments (3.78756s) stopped
T12 >> 1462280885.53928089 Normalize (2.41598s) started
T12 << 1462280885.54545307 Normalize (2.42215s) stopped
T12 >> 1462280885.54554605 Mix (151.29724s) started
T12 << 1462280885.89668202 Mix (151.64837s) stopped
T12 << 1462280885.89674091 Density (5837.62494s) stopped
T12 >> 1462280885.89676690 Hamiltonian (16661.86926s) started
T12 >> 1462280885.89679694 vbar (9.72842s) started
T12 << 1462280885.91767192 vbar (9.74929s) stopped
T12 >> 1462280885.91778803 XC 3D grid (10053.69472s) started
T12 >> 1462280886.43517995 van der Waals (9713.98217s) started
T12 >> 1462280886.54533911 semilocal (2048.08192s) started
T12 << 1462280892.35553789 semilocal (2053.89212s) stopped
T12 >> 1462280892.42783499 redistribute (1046.06254s) started
T12 << 1462280893.38766503 redistribute (1047.02237s) stopped
T12 >> 1462280893.38770795 libvdwxc nonlocal (6552.01747s) started
T12 << 1462280911.97860789 libvdwxc nonlocal (6570.60837s) stopped
T12 >> 1462280911.97867203 redistribute (1047.02240s) started
T12 << 1462280913.73793793 redistribute (1048.78167s) stopped
T12 << 1462280913.73906493 van der Waals (9741.28606s) stopped
T12 << 1462280914.19289088 XC 3D grid (10081.96983s) stopped
T12 >> 1462280914.19293308 Poisson (2244.36261s) started
T12 << 1462280918.54534292 Poisson (2248.71502s) stopped
T12 >> 1462280918.54541111 Hartree integrate/restrict (130.81722s) started
T12 << 1462280918.58974910 Hartree integrate/restrict (130.86156s) stopped
T12 >> 1462280918.58980203 Hartree integrate/restrict (130.86159s) started
T12 << 1462280918.90857601 Hartree integrate/restrict (131.18037s) stopped
T12 >> 1462280918.90867710 Atomic (847.79598s) started
T12 >> 1462280918.91053391 XC Correction (0.01165s) started
T12 << 1462280918.91055298 XC Correction (0.01167s) stopped
T12 << 1462280921.31790996 Atomic (850.20521s) stopped
T12 >> 1462280921.31808400 Communicate (3375.31548s) started
T12 << 1462280937.13017297 Communicate (3391.12757s) stopped
T12 << 1462280937.13020802 Hamiltonian (16713.10270s) stopped
T12 >> 1462280937.13023305 LCAO eigensolver (24230.31468s) started
T12 >> 1462280937.13024592 Potential matrix (365.50760s) started
T12 << 1462280938.09341192 Potential matrix (366.47076s) stopped
T12 >> 1462280938.09349704 DistributedAtomicCorrection (146.35435s) started
T12 << 1462280938.49320006 DistributedAtomicCorrection (146.75405s) stopped
T12 >> 1462280938.49324799 Distribute overlap matrix (2681.14329s) started
T12 >> 1462280938.49327707 blocked summation (1504.59491s) started
T12 << 1462280942.72288990 blocked summation (1508.82452s) stopped
T12 >> 1462280942.73263192 Scalapack redistribute (1172.81563s) started
T12 << 1462280946.14068508 Scalapack redistribute (1176.22369s) stopped
T12 << 1462280946.14080405 Distribute overlap matrix (2688.79085s) stopped
T12 >> 1462280946.14545202 Blacs Orbital Layouts (20372.99189s) started
T12 >> 1462280946.15415406 General diagonalize (20290.02782s) started
T12 << 1462281000.23668790 General diagonalize (20344.11035s) stopped
T12 >> 1462281000.23675799 Redistribute coefs (3.03537s) started
T12 << 1462281000.24548697 Redistribute coefs (3.04410s) stopped
T12 >> 1462281000.24553299 Send coefs to domains (76.52095s) started
T12 << 1462281000.44705892 Send coefs to domains (76.72248s) stopped
T12 << 1462281000.44743204 Blacs Orbital Layouts (20427.29387s) stopped
T12 >> 1462281000.44745898 Calculate projections (662.45719s) started
T12 << 1462281002.22123003 Calculate projections (664.23096s) stopped
T12 << 1462281002.22162509 LCAO eigensolver (24295.40607s) stopped
T12 >> 1462281005.40887499 Density (5837.62495s) started
T12 >> 1462281005.40889001 Pseudo density (4523.97782s) started
T12 >> 1462281005.41138911 Calculate density matrix (4252.06530s) started
T12 << 1462281017.27534008 Calculate density matrix (4263.92925s) stopped
T12 >> 1462281017.27538896 Construct density (264.75115s) started
T12 << 1462281018.02984190 Construct density (265.50560s) stopped
T12 >> 1462281018.04499888 Symmetrize density (0.03008s) started
T12 << 1462281018.04506803 Symmetrize density (0.03015s) stopped
T12 << 1462281018.04708695 Pseudo density (4536.61601s) stopped
T12 >> 1462281018.04714799 Atomic density matrices (1155.76178s) started
T12 << 1462281021.42087507 Atomic density matrices (1159.13551s) stopped
T12 >> 1462281021.42090702 Multipole moments (3.78758s) started
T12 << 1462281021.43406105 Multipole moments (3.80073s) stopped
T12 >> 1462281021.43408394 Normalize (2.42223s) started
T12 << 1462281021.44027901 Normalize (2.42842s) stopped
T12 >> 1462281021.44036198 Mix (151.64843s) started
T12 << 1462281021.79386306 Mix (152.00193s) stopped
T12 << 1462281021.79393601 Density (5854.01002s) stopped
T12 >> 1462281021.79396796 Hamiltonian (16713.10271s) started
T12 >> 1462281021.79398394 vbar (9.74935s) started
T12 << 1462281021.81916404 vbar (9.77453s) stopped
T12 >> 1462281021.81923103 XC 3D grid (10081.96986s) started
T12 >> 1462281022.31012797 van der Waals (9741.28609s) started
T12 >> 1462281022.42290807 semilocal (2053.89220s) started
T12 << 1462281028.18897009 semilocal (2059.65826s) stopped
T12 >> 1462281028.26226711 redistribute (1048.78170s) started
T12 << 1462281029.31110311 redistribute (1049.83054s) stopped
T12 >> 1462281029.31114602 libvdwxc nonlocal (6570.60842s) started
T12 << 1462281047.52664495 libvdwxc nonlocal (6588.82392s) stopped
T12 >> 1462281047.52670908 redistribute (1049.83057s) started
T12 << 1462281049.31277704 redistribute (1051.61664s) stopped
T12 << 1462281049.31391501 van der Waals (9768.28988s) stopped
T12 << 1462281049.77107811 XC 3D grid (10109.92170s) stopped
T12 >> 1462281049.77112508 Poisson (2248.71507s) started
T12 << 1462281055.53154898 Poisson (2254.47550s) stopped
T12 >> 1462281055.53161502 Hartree integrate/restrict (131.18042s) started
T12 << 1462281055.57587910 Hartree integrate/restrict (131.22468s) stopped
T12 >> 1462281055.57592010 Hartree integrate/restrict (131.22471s) started
T12 << 1462281055.89201403 Hartree integrate/restrict (131.54080s) stopped
T12 >> 1462281055.89211011 Atomic (850.20523s) started
T12 >> 1462281055.89387012 XC Correction (0.01168s) started
T12 << 1462281055.89388490 XC Correction (0.01170s) stopped
T12 << 1462281058.30117297 Atomic (852.61430s) stopped
T12 >> 1462281058.30133700 Communicate (3391.12759s) started
T12 << 1462281074.12372494 Communicate (3406.94998s) stopped
T12 << 1462281074.12376094 Hamiltonian (16765.43250s) stopped
T12 >> 1462281074.12379098 LCAO eigensolver (24295.40609s) started
T12 >> 1462281074.12380409 Potential matrix (366.47081s) started
T12 << 1462281075.08786702 Potential matrix (367.43487s) stopped
T12 >> 1462281075.08794904 DistributedAtomicCorrection (146.75409s) started
T12 << 1462281075.48469591 DistributedAtomicCorrection (147.15084s) stopped
T12 >> 1462281075.48474193 Distribute overlap matrix (2688.79086s) started
T12 >> 1462281075.48477602 blocked summation (1508.82455s) started
T12 << 1462281079.69720101 blocked summation (1513.03698s) stopped
T12 >> 1462281079.70666909 Scalapack redistribute (1176.22375s) started
T12 << 1462281083.13568711 Scalapack redistribute (1179.65277s) stopped
T12 << 1462281083.13579988 Distribute overlap matrix (2696.44192s) stopped
T12 >> 1462281083.13976789 Blacs Orbital Layouts (20427.29389s) started
T12 >> 1462281083.14824605 General diagonalize (20344.11041s) started
T12 << 1462281138.63106608 General diagonalize (20399.59323s) stopped
T12 >> 1462281138.63113809 Redistribute coefs (3.04414s) started
T12 << 1462281138.63968205 Redistribute coefs (3.05268s) stopped
T12 >> 1462281138.63972306 Send coefs to domains (76.72251s) started
T12 << 1462281138.73585391 Send coefs to domains (76.81864s) stopped
T12 << 1462281138.73626208 Blacs Orbital Layouts (20482.89039s) stopped
T12 >> 1462281138.73628902 Calculate projections (664.23101s) started
T12 << 1462281140.50549102 Calculate projections (666.00021s) stopped
T12 << 1462281140.50585103 LCAO eigensolver (24361.78815s) stopped
T12 >> 1462281143.68178105 Density (5854.01003s) started
T12 >> 1462281143.68179607 Pseudo density (4536.61606s) started
T12 >> 1462281143.68449402 Calculate density matrix (4263.92928s) started
T12 << 1462281155.50014806 Calculate density matrix (4275.74493s) stopped
T12 >> 1462281155.50019503 Construct density (265.50566s) started
T12 << 1462281156.25308490 Construct density (266.25855s) stopped
T12 >> 1462281156.26868296 Symmetrize density (0.03017s) started
T12 << 1462281156.26874995 Symmetrize density (0.03024s) stopped
T12 << 1462281156.27073598 Pseudo density (4549.20500s) stopped
T12 >> 1462281156.27080011 Atomic density matrices (1159.13553s) started
T12 << 1462281159.64100194 Atomic density matrices (1162.50573s) stopped
T12 >> 1462281159.64103389 Multipole moments (3.80075s) started
T12 << 1462281159.65350103 Multipole moments (3.81322s) stopped
T12 >> 1462281159.65352511 Normalize (2.42849s) started
T12 << 1462281159.65967798 Normalize (2.43464s) stopped
T12 >> 1462281159.65974998 Mix (152.00200s) started
T12 << 1462281160.03348899 Mix (152.37574s) stopped
T12 << 1462281160.03356600 Density (5870.36182s) stopped
T12 >> 1462281160.03359699 Hamiltonian (16765.43252s) started
T12 >> 1462281160.03361392 vbar (9.77457s) started
T12 << 1462281160.05472803 vbar (9.79568s) stopped
T12 >> 1462281160.05483794 XC 3D grid (10109.92174s) started
T12 >> 1462281160.55959010 van der Waals (9768.28990s) started
T12 >> 1462281160.67128205 semilocal (2059.65835s) started
T12 << 1462281166.45731306 semilocal (2065.44438s) stopped
T12 >> 1462281166.53021193 redistribute (1051.61668s) started
T12 << 1462281167.55618000 redistribute (1052.64265s) stopped
T12 >> 1462281167.55622292 libvdwxc nonlocal (6588.82397s) started
T12 << 1462281186.18962312 libvdwxc nonlocal (6607.45737s) stopped
T12 >> 1462281186.18968701 redistribute (1052.64268s) started
T12 << 1462281188.01572704 redistribute (1054.46872s) stopped
T12 << 1462281188.01670694 van der Waals (9795.74702s) stopped
T12 << 1462281188.47237992 XC 3D grid (10138.33928s) stopped
T12 >> 1462281188.47244096 Poisson (2254.47555s) started
T12 << 1462281194.27724290 Poisson (2260.28035s) stopped
T12 >> 1462281194.27735305 Hartree integrate/restrict (131.54085s) started
T12 << 1462281194.32051611 Hartree integrate/restrict (131.58402s) stopped
T12 >> 1462281194.32056093 Hartree integrate/restrict (131.58405s) started
T12 << 1462281194.63624406 Hartree integrate/restrict (131.89973s) stopped
T12 >> 1462281194.63634205 Atomic (852.61432s) started
T12 >> 1462281194.63804412 XC Correction (0.01171s) started
T12 << 1462281194.63805795 XC Correction (0.01172s) stopped
T12 << 1462281197.05258608 Atomic (855.03056s) stopped
T12 >> 1462281197.05274391 Communicate (3406.95000s) started
T12 << 1462281212.49564290 Communicate (3422.39290s) stopped
T12 << 1462281212.49567890 Hamiltonian (16817.89460s) stopped
T12 >> 1462281212.49570298 LCAO eigensolver (24361.78817s) started
T12 >> 1462281212.49571609 Potential matrix (367.43492s) started
T12 << 1462281213.44114900 Potential matrix (368.38036s) stopped
T12 >> 1462281213.44121909 DistributedAtomicCorrection (147.15088s) started
T12 << 1462281213.83392096 DistributedAtomicCorrection (147.54358s) stopped
T12 >> 1462281213.83396912 Distribute overlap matrix (2696.44193s) started
T12 >> 1462281213.83399701 blocked summation (1513.03701s) started
T12 << 1462281218.00899196 blocked summation (1517.21200s) stopped
T12 >> 1462281218.01906395 Scalapack redistribute (1179.65283s) started
T12 << 1462281221.39320993 Scalapack redistribute (1183.02698s) stopped
T12 << 1462281221.39328909 Distribute overlap matrix (2704.00125s) stopped
T12 >> 1462281221.39759994 Blacs Orbital Layouts (20482.89040s) started
T12 >> 1462281221.40616298 General diagonalize (20399.59329s) started
T12 << 1462281273.20605707 General diagonalize (20451.39319s) stopped
T12 >> 1462281273.20612788 Redistribute coefs (3.05271s) started
T12 << 1462281273.21474409 Redistribute coefs (3.06133s) stopped
T12 >> 1462281273.21481800 Send coefs to domains (76.81867s) started
T12 << 1462281273.30243897 Send coefs to domains (76.90629s) stopped
T12 << 1462281273.30284500 Blacs Orbital Layouts (20534.79565s) stopped
T12 >> 1462281273.30287290 Calculate projections (666.00026s) started
T12 << 1462281275.07109904 Calculate projections (667.76849s) stopped
T12 << 1462281275.07128501 LCAO eigensolver (24424.36375s) stopped
T12 >> 1462281278.25443196 Density (5870.36183s) started
T12 >> 1462281278.25444698 Pseudo density (4549.20505s) started
T12 >> 1462281278.25721598 Calculate density matrix (4275.74497s) started
T12 << 1462281290.02953601 Calculate density matrix (4287.51729s) stopped
T12 >> 1462281290.02958393 Construct density (266.25860s) started
T12 << 1462281290.78218293 Construct density (267.01120s) stopped
T12 >> 1462281290.79734302 Symmetrize density (0.03025s) started
T12 << 1462281290.79740000 Symmetrize density (0.03031s) stopped
T12 << 1462281290.79937291 Pseudo density (4561.74998s) stopped
T12 >> 1462281290.79943109 Atomic density matrices (1162.50576s) started
T12 << 1462281294.14844298 Atomic density matrices (1165.85477s) stopped
T12 >> 1462281294.14847493 Multipole moments (3.81323s) started
T12 << 1462281294.16099501 Multipole moments (3.82575s) stopped
T12 >> 1462281294.16102505 Normalize (2.43470s) started
T12 << 1462281294.16724801 Normalize (2.44092s) stopped
T12 >> 1462281294.16729498 Mix (152.37582s) started
T12 << 1462281294.54601908 Mix (152.75454s) stopped
T12 << 1462281294.54608393 Density (5886.65348s) stopped
T12 >> 1462281294.54611301 Hamiltonian (16817.89462s) started
T12 >> 1462281294.54615998 vbar (9.79575s) started
T12 << 1462281294.56943798 vbar (9.81903s) stopped
T12 >> 1462281294.56954193 XC 3D grid (10138.33933s) started
T12 >> 1462281295.12863803 van der Waals (9795.74705s) started
T12 >> 1462281295.23931909 semilocal (2065.44446s) started
T12 << 1462281301.02450991 semilocal (2071.22965s) stopped
T12 >> 1462281301.10037899 redistribute (1054.46876s) started
T12 << 1462281302.11953402 redistribute (1055.48791s) stopped
T12 >> 1462281302.11957598 libvdwxc nonlocal (6607.45742s) started
T12 << 1462281320.70267296 libvdwxc nonlocal (6626.04052s) stopped
T12 >> 1462281320.70273900 redistribute (1055.48794s) started
T12 << 1462281322.50378704 redistribute (1057.28899s) stopped
T12 << 1462281322.50470090 van der Waals (9823.12311s) stopped
T12 << 1462281322.96625304 XC 3D grid (10166.73604s) stopped
T12 >> 1462281322.96631408 Poisson (2260.28043s) started
T12 << 1462281327.31058908 Poisson (2264.62471s) stopped
T12 >> 1462281327.31068993 Hartree integrate/restrict (131.89978s) started
T12 << 1462281327.35554290 Hartree integrate/restrict (131.94463s) stopped
T12 >> 1462281327.35558200 Hartree integrate/restrict (131.94466s) started
T12 << 1462281327.67001891 Hartree integrate/restrict (132.25909s) stopped
T12 >> 1462281327.67011499 Atomic (855.03059s) started
T12 >> 1462281327.67180109 XC Correction (0.01174s) started
T12 << 1462281327.67181611 XC Correction (0.01175s) stopped
T12 << 1462281330.08102798 Atomic (857.44150s) stopped
T12 >> 1462281330.08118010 Communicate (3422.39293s) started
T12 << 1462281344.54793406 Communicate (3436.85968s) stopped
T12 << 1462281344.54797006 Hamiltonian (16867.89647s) stopped
T12 >> 1462281344.54799604 LCAO eigensolver (24424.36377s) started
T12 >> 1462281344.54800892 Potential matrix (368.38040s) started
T12 << 1462281345.50675011 Potential matrix (369.33914s) stopped
T12 >> 1462281345.50683808 DistributedAtomicCorrection (147.54362s) started
T12 << 1462281345.91708708 DistributedAtomicCorrection (147.95387s) stopped
T12 >> 1462281345.91713309 Distribute overlap matrix (2704.00127s) started
T12 >> 1462281345.91716504 blocked summation (1517.21205s) started
T12 << 1462281350.03828406 blocked summation (1521.33317s) stopped
T12 >> 1462281350.04812193 Scalapack redistribute (1183.02702s) started
T12 << 1462281353.43659806 Scalapack redistribute (1186.41550s) stopped
T12 << 1462281353.43670106 Distribute overlap matrix (2711.52083s) stopped
T12 >> 1462281353.44106007 Blacs Orbital Layouts (20534.79567s) started
T12 >> 1462281353.45045900 General diagonalize (20451.39325s) started
T12 << 1462281405.24383998 General diagonalize (20503.18663s) stopped
T12 >> 1462281405.24389195 Redistribute coefs (3.06139s) started
T12 << 1462281405.25220299 Redistribute coefs (3.06970s) stopped
T12 >> 1462281405.25224590 Send coefs to domains (76.90632s) started
T12 << 1462281405.36844897 Send coefs to domains (77.02253s) stopped
T12 << 1462281405.36890697 Blacs Orbital Layouts (20586.72352s) stopped
T12 >> 1462281405.36893511 Calculate projections (667.76854s) started
T12 << 1462281407.13808393 Calculate projections (669.53769s) stopped
T12 << 1462281407.13827205 LCAO eigensolver (24486.95405s) stopped
T12 >> 1462281410.30321693 Density (5886.65350s) started
T12 >> 1462281410.30323291 Pseudo density (4561.75003s) started
T12 >> 1462281410.30548000 Calculate density matrix (4287.51732s) started
T12 << 1462281422.20350790 Calculate density matrix (4299.41535s) stopped
T12 >> 1462281422.20355701 Construct density (267.01125s) started
T12 << 1462281422.95710707 Construct density (267.76480s) stopped
T12 >> 1462281422.97229290 Symmetrize density (0.03033s) started
T12 << 1462281422.97235107 Symmetrize density (0.03038s) stopped
T12 << 1462281422.97436190 Pseudo density (4574.42115s) stopped
T12 >> 1462281422.97442198 Atomic density matrices (1165.85479s) started
T12 << 1462281426.32548094 Atomic density matrices (1169.20585s) stopped
T12 >> 1462281426.32551289 Multipole moments (3.82577s) started
T12 << 1462281426.33858800 Multipole moments (3.83884s) stopped
T12 >> 1462281426.33861804 Normalize (2.44096s) started
T12 << 1462281426.34474301 Normalize (2.44708s) stopped
T12 >> 1462281426.34481192 Mix (152.75460s) started
T12 << 1462281426.73321295 Mix (153.14301s) stopped
T12 << 1462281426.73328304 Density (5903.08356s) stopped
T12 >> 1462281426.73331404 Hamiltonian (16867.89649s) started
T12 >> 1462281426.73333001 vbar (9.81909s) started
T12 << 1462281426.75576901 vbar (9.84153s) stopped
T12 >> 1462281426.75585294 XC 3D grid (10166.73609s) started
T12 >> 1462281427.37276793 van der Waals (9823.12315s) started
T12 >> 1462281427.48228407 semilocal (2071.22974s) started
T12 << 1462281433.34019399 semilocal (2077.08765s) stopped
T12 >> 1462281433.41404891 redistribute (1057.28903s) started
T12 << 1462281434.34337497 redistribute (1058.21835s) stopped
T12 >> 1462281434.34341693 libvdwxc nonlocal (6626.04057s) started
T12 << 1462281453.18007493 libvdwxc nonlocal (6644.87723s) stopped
T12 >> 1462281453.18013310 redistribute (1058.21838s) started
T12 << 1462281454.89148307 redistribute (1059.92973s) stopped
T12 << 1462281454.89254403 van der Waals (9850.64292s) stopped
T12 << 1462281455.35348201 XC 3D grid (10195.33372s) stopped
T12 >> 1462281455.35353804 Poisson (2264.62479s) started
T12 << 1462281461.27250409 Poisson (2270.54375s) stopped
T12 >> 1462281461.27259588 Hartree integrate/restrict (132.25915s) started
T12 << 1462281461.33101106 Hartree integrate/restrict (132.31756s) stopped
T12 >> 1462281461.33106208 Hartree integrate/restrict (132.31759s) started
T12 << 1462281461.66563106 Hartree integrate/restrict (132.65216s) stopped
T12 >> 1462281461.66571903 Atomic (857.44152s) started
T12 >> 1462281461.66744709 XC Correction (0.01176s) started
T12 << 1462281461.66746306 XC Correction (0.01178s) stopped
T12 << 1462281464.05326009 Atomic (859.82906s) stopped
T12 >> 1462281464.05340910 Communicate (3436.85970s) started
T12 << 1462281478.16301894 Communicate (3450.96931s) stopped
T12 << 1462281478.16305494 Hamiltonian (16919.32623s) stopped
T12 >> 1462281478.16307998 LCAO eigensolver (24486.95407s) started
T12 >> 1462281478.16309309 Potential matrix (369.33919s) started
T12 << 1462281479.12933493 Potential matrix (370.30544s) stopped
T12 >> 1462281479.12941790 DistributedAtomicCorrection (147.95391s) started
T12 << 1462281479.53498411 DistributedAtomicCorrection (148.35947s) stopped
T12 >> 1462281479.53504395 Distribute overlap matrix (2711.52085s) started
T12 >> 1462281479.53506494 blocked summation (1521.33322s) started
T12 << 1462281483.66286707 blocked summation (1525.46103s) stopped
T12 >> 1462281483.67183399 Scalapack redistribute (1186.41555s) started
T12 << 1462281487.03984094 Scalapack redistribute (1189.78356s) stopped
T12 << 1462281487.03994203 Distribute overlap matrix (2719.02574s) stopped
T12 >> 1462281487.04419899 Blacs Orbital Layouts (20586.72353s) started
T12 >> 1462281487.05314302 General diagonalize (20503.18667s) started
T12 << 1462281538.96236801 General diagonalize (20555.09590s) stopped
T12 >> 1462281538.96241999 Redistribute coefs (3.06973s) started
T12 << 1462281538.97096205 Redistribute coefs (3.07827s) stopped
T12 >> 1462281538.97100401 Send coefs to domains (77.02256s) started
T12 << 1462281539.18818593 Send coefs to domains (77.23974s) stopped
T12 << 1462281539.18868089 Blacs Orbital Layouts (20638.86802s) stopped
T12 >> 1462281539.18870807 Calculate projections (669.53774s) started
T12 << 1462281540.95761609 Calculate projections (671.30665s) stopped
T12 << 1462281540.95780611 LCAO eigensolver (24549.74879s) stopped
T12 >> 1462281544.14429307 Density (5903.08358s) started
T12 >> 1462281544.14430690 Pseudo density (4574.42120s) started
T12 >> 1462281544.14706707 Calculate density matrix (4299.41538s) started
T12 << 1462281555.99195409 Calculate density matrix (4311.26027s) stopped
T12 >> 1462281555.99200296 Construct density (267.76485s) started
T12 << 1462281556.74440289 Construct density (268.51725s) stopped
T12 >> 1462281556.75931597 Symmetrize density (0.03040s) started
T12 << 1462281556.75937200 Symmetrize density (0.03046s) stopped
T12 << 1462281556.76144004 Pseudo density (4587.03834s) stopped
T12 >> 1462281556.76152396 Atomic density matrices (1169.20588s) started
T12 << 1462281560.12747598 Atomic density matrices (1172.57183s) stopped
T12 >> 1462281560.12751007 Multipole moments (3.83886s) started
T12 << 1462281560.14066505 Multipole moments (3.85201s) stopped
T12 >> 1462281560.14069510 Normalize (2.44714s) started
T12 << 1462281560.14693809 Normalize (2.45338s) stopped
T12 >> 1462281560.14699888 Mix (153.14307s) started
T12 << 1462281560.59713292 Mix (153.59321s) stopped
T12 << 1462281560.59721994 Density (5919.53650s) stopped
T12 >> 1462281560.59725404 Hamiltonian (16919.32624s) started
T12 >> 1462281560.59727097 vbar (9.84157s) started
T12 << 1462281560.61907601 vbar (9.86338s) stopped
T12 >> 1462281560.61918998 XC 3D grid (10195.33377s) started
T12 >> 1462281561.12328005 van der Waals (9850.64297s) started
T12 >> 1462281561.23364806 semilocal (2077.08774s) started
T12 << 1462281567.06081700 semilocal (2082.91491s) stopped
T12 >> 1462281567.13261104 redistribute (1059.92977s) started
T12 << 1462281568.11735892 redistribute (1060.91452s) stopped
T12 >> 1462281568.11740398 libvdwxc nonlocal (6644.87727s) started
T12 << 1462281586.33588791 libvdwxc nonlocal (6663.09575s) stopped
T12 >> 1462281586.33595204 redistribute (1060.91455s) started
T12 << 1462281588.82317090 redistribute (1063.40177s) stopped
T12 << 1462281588.82446003 van der Waals (9878.34415s) stopped
T12 << 1462281589.28569508 XC 3D grid (10224.00027s) stopped
T12 >> 1462281589.28573895 Poisson (2270.54383s) started
T12 << 1462281593.64884901 Poisson (2274.90694s) stopped
T12 >> 1462281593.64891791 Hartree integrate/restrict (132.65221s) started
T12 << 1462281593.69100809 Hartree integrate/restrict (132.69430s) stopped
T12 >> 1462281593.69104910 Hartree integrate/restrict (132.69432s) started
T12 << 1462281594.00571489 Hartree integrate/restrict (133.00899s) stopped
T12 >> 1462281594.00583100 Atomic (859.82909s) started
T12 >> 1462281594.00755000 XC Correction (0.01179s) started
T12 << 1462281594.00756502 XC Correction (0.01180s) stopped
T12 << 1462281596.41105604 Atomic (862.23431s) stopped
T12 >> 1462281596.41118789 Communicate (3450.96934s) started
T12 << 1462281610.51682806 Communicate (3465.07498s) stopped
T12 << 1462281610.51685905 Hamiltonian (16969.24585s) stopped
T12 >> 1462281610.51688194 LCAO eigensolver (24549.74881s) started
T12 >> 1462281610.51689506 Potential matrix (370.30549s) started
T12 << 1462281611.46446109 Potential matrix (371.25305s) stopped
T12 >> 1462281611.46453094 DistributedAtomicCorrection (148.35951s) started
T12 << 1462281611.86743212 DistributedAtomicCorrection (148.76241s) stopped
T12 >> 1462281611.86749291 Distribute overlap matrix (2719.02576s) started
T12 >> 1462281611.86751509 blocked summation (1525.46106s) started
T12 << 1462281615.93838692 blocked summation (1529.53193s) stopped
T12 >> 1462281615.94775200 Scalapack redistribute (1189.78362s) started
T12 << 1462281619.43907595 Scalapack redistribute (1193.27495s) stopped
T12 << 1462281619.43917394 Distribute overlap matrix (2726.59744s) stopped
T12 >> 1462281619.44356298 Blacs Orbital Layouts (20638.86803s) started
T12 >> 1462281619.45245290 General diagonalize (20555.09594s) started
T12 << 1462281671.44410396 General diagonalize (20607.08759s) stopped
T12 >> 1462281671.44419098 Redistribute coefs (3.07831s) started
T12 << 1462281671.45263004 Redistribute coefs (3.08675s) stopped
T12 >> 1462281671.45269895 Send coefs to domains (77.23977s) started
T12 << 1462281671.95544291 Send coefs to domains (77.74252s) stopped
T12 << 1462281671.95601511 Blacs Orbital Layouts (20691.38049s) stopped
T12 >> 1462281671.95604396 Calculate projections (671.30669s) started
T12 << 1462281673.73572493 Calculate projections (673.08638s) stopped
T12 << 1462281673.73596811 LCAO eigensolver (24612.96790s) stopped
T12 >> 1462281676.91668797 Density (5919.53652s) started
T12 >> 1462281676.91670394 Pseudo density (4587.03841s) started
T12 >> 1462281676.91998601 Calculate density matrix (4311.26030s) started
T12 << 1462281688.69815993 Calculate density matrix (4323.03848s) stopped
T12 >> 1462281688.69821811 Construct density (268.51730s) started
T12 << 1462281689.45321107 Construct density (269.27229s) stopped
T12 >> 1462281689.47066903 Symmetrize density (0.03047s) started
T12 << 1462281689.47073507 Symmetrize density (0.03054s) stopped
T12 << 1462281689.47319293 Pseudo density (4599.59490s) stopped
T12 >> 1462281689.47326207 Atomic density matrices (1172.57186s) started
T12 << 1462281692.87831998 Atomic density matrices (1175.97691s) stopped
T12 >> 1462281692.87835789 Multipole moments (3.85203s) started
T12 << 1462281692.89083695 Multipole moments (3.86451s) stopped
T12 >> 1462281692.89086890 Normalize (2.45342s) started
T12 << 1462281692.89766502 Normalize (2.46022s) stopped
T12 >> 1462281692.89771390 Mix (153.59329s) started
T12 << 1462281693.32231998 Mix (154.01790s) stopped
T12 << 1462281693.32239008 Density (5935.94222s) stopped
T12 >> 1462281693.32242203 Hamiltonian (16969.24586s) started
T12 >> 1462281693.32243800 vbar (9.86344s) started
T12 << 1462281693.34750390 vbar (9.88851s) stopped
T12 >> 1462281693.34761596 XC 3D grid (10224.00030s) started
T12 >> 1462281693.85985589 van der Waals (9878.34418s) started
T12 >> 1462281693.97417498 semilocal (2082.91496s) started
T12 << 1462281699.72028208 semilocal (2088.66107s) stopped
T12 >> 1462281699.79555702 redistribute (1063.40180s) started
T12 << 1462281700.81523800 redistribute (1064.42148s) stopped
T12 >> 1462281700.81530809 libvdwxc nonlocal (6663.09580s) started
T12 << 1462281719.13244390 libvdwxc nonlocal (6681.41294s) stopped
T12 >> 1462281719.13252592 redistribute (1064.42154s) started
T12 << 1462281721.17377496 redistribute (1066.46279s) stopped
T12 << 1462281721.17491889 van der Waals (9905.65924s) stopped
T12 << 1462281721.63793492 XC 3D grid (10252.29062s) stopped
T12 >> 1462281721.63798499 Poisson (2274.90699s) started
T12 << 1462281726.08236909 Poisson (2279.35137s) stopped
T12 >> 1462281726.08247709 Hartree integrate/restrict (133.00905s) started
T12 << 1462281726.12217498 Hartree integrate/restrict (133.04874s) stopped
T12 >> 1462281726.12226605 Hartree integrate/restrict (133.04880s) started
T12 << 1462281726.46164703 Hartree integrate/restrict (133.38818s) stopped
T12 >> 1462281726.46175694 Atomic (862.23433s) started
T12 >> 1462281726.46362209 XC Correction (0.01181s) started
T12 << 1462281726.46363902 XC Correction (0.01183s) stopped
T12 << 1462281728.86592293 Atomic (864.63850s) stopped
T12 >> 1462281728.86605906 Communicate (3465.07500s) started
T12 << 1462281743.01111197 Communicate (3479.22005s) stopped
T12 << 1462281743.01115394 Hamiltonian (17018.93459s) stopped
T12 >> 1462281743.01118112 LCAO eigensolver (24612.96792s) started
T12 >> 1462281743.01119494 Potential matrix (371.25309s) started
T12 << 1462281743.97881293 Potential matrix (372.22071s) stopped
T12 >> 1462281743.97889304 DistributedAtomicCorrection (148.76245s) started
T12 << 1462281744.39631605 DistributedAtomicCorrection (149.17987s) stopped
T12 >> 1462281744.39638209 Distribute overlap matrix (2726.59745s) started
T12 >> 1462281744.39640689 blocked summation (1529.53196s) started
T12 << 1462281748.51732612 blocked summation (1533.65288s) stopped
T12 >> 1462281748.52626896 Scalapack redistribute (1193.27501s) started
T12 << 1462281751.96082711 Scalapack redistribute (1196.70957s) stopped
T12 << 1462281751.96094704 Distribute overlap matrix (2734.16201s) stopped
T12 >> 1462281751.96606112 Blacs Orbital Layouts (20691.38050s) started
T12 >> 1462281751.97482991 General diagonalize (20607.08766s) started
T12 << 1462281804.29308200 General diagonalize (20659.40591s) stopped
T12 >> 1462281804.29316211 Redistribute coefs (3.08680s) started
T12 << 1462281804.30134201 Redistribute coefs (3.09498s) stopped
T12 >> 1462281804.30140591 Send coefs to domains (77.74256s) started
T12 << 1462281804.64363694 Send coefs to domains (78.08479s) stopped
T12 << 1462281804.64409399 Blacs Orbital Layouts (20744.05854s) stopped
T12 >> 1462281804.64412308 Calculate projections (673.08643s) started
T12 << 1462281806.42399907 Calculate projections (674.86631s) stopped
T12 << 1462281806.42424393 LCAO eigensolver (24676.38098s) stopped
T12 >> 1462281809.58530807 Density (5935.94224s) started
T12 >> 1462281809.58532500 Pseudo density (4599.59495s) started
T12 >> 1462281809.58864999 Calculate density matrix (4323.03852s) started
T12 << 1462281821.41659403 Calculate density matrix (4334.86646s) stopped
T12 >> 1462281821.41665196 Construct density (269.27235s) started
T12 << 1462281822.17052794 Construct density (270.02623s) stopped
T12 >> 1462281822.18804908 Symmetrize density (0.03056s) started
T12 << 1462281822.18811393 Symmetrize density (0.03063s) stopped
T12 << 1462281822.19057894 Pseudo density (4612.20021s) stopped
T12 >> 1462281822.19064808 Atomic density matrices (1175.97694s) started
T12 << 1462281825.47407794 Atomic density matrices (1179.26037s) stopped
T12 >> 1462281825.47411609 Multipole moments (3.86453s) started
T12 << 1462281825.48714590 Multipole moments (3.87756s) stopped
T12 >> 1462281825.48717690 Normalize (2.46025s) started
T12 << 1462281825.49481702 Normalize (2.46789s) stopped
T12 >> 1462281825.49486709 Mix (154.01797s) started
T12 << 1462281825.93066812 Mix (154.45377s) stopped
T12 << 1462281825.93073297 Density (5952.28766s) stopped
T12 >> 1462281825.93076396 Hamiltonian (17018.93461s) started
T12 >> 1462281825.93077898 vbar (9.88857s) started
T12 << 1462281825.95824099 vbar (9.91604s) stopped
T12 >> 1462281825.95842695 XC 3D grid (10252.29067s) started
T12 >> 1462281826.46157193 van der Waals (9905.65926s) started
T12 >> 1462281826.57503510 semilocal (2088.66116s) started
T12 << 1462281832.31117892 semilocal (2094.39730s) stopped
T12 >> 1462281832.38776302 redistribute (1066.46285s) started
T12 << 1462281833.44968390 redistribute (1067.52477s) stopped
T12 >> 1462281833.44973493 libvdwxc nonlocal (6681.41300s) started
T12 << 1462281851.76826096 libvdwxc nonlocal (6699.73153s) stopped
T12 >> 1462281851.76834893 redistribute (1067.52481s) started
T12 << 1462281853.83565593 redistribute (1069.59212s) stopped
T12 << 1462281853.83684611 van der Waals (9933.03454s) stopped
T12 << 1462281854.29472899 XC 3D grid (10280.62697s) stopped
T12 >> 1462281854.29479003 Poisson (2279.35145s) started
T12 << 1462281858.67387605 Poisson (2283.73054s) stopped
T12 >> 1462281858.67401290 Hartree integrate/restrict (133.38824s) started
T12 << 1462281858.71333599 Hartree integrate/restrict (133.42757s) stopped
T12 >> 1462281858.71350908 Hartree integrate/restrict (133.42768s) started
T12 << 1462281859.04101610 Hartree integrate/restrict (133.75519s) stopped
T12 >> 1462281859.04112601 Atomic (864.63853s) started
T12 >> 1462281859.04299998 XC Correction (0.01184s) started
T12 << 1462281859.04302597 XC Correction (0.01187s) stopped
T12 << 1462281861.44528389 Atomic (867.04268s) stopped
T12 >> 1462281861.44540405 Communicate (3479.22008s) started
T12 << 1462281875.61890411 Communicate (3493.39358s) stopped
T12 << 1462281875.61894011 Hamiltonian (17068.62278s) stopped
T12 >> 1462281875.61896491 LCAO eigensolver (24676.38100s) started
T12 >> 1462281875.61897898 Potential matrix (372.22075s) started
T12 << 1462281876.58042598 Potential matrix (373.18220s) stopped
T12 >> 1462281876.58051705 DistributedAtomicCorrection (149.17991s) started
T12 << 1462281876.98939395 DistributedAtomicCorrection (149.58879s) stopped
T12 >> 1462281876.98945904 Distribute overlap matrix (2734.16203s) started
T12 >> 1462281876.98948312 blocked summation (1533.65291s) started
T12 << 1462281881.05844402 blocked summation (1537.72187s) stopped
T12 >> 1462281881.06792688 Scalapack redistribute (1196.70963s) started
T12 << 1462281884.56163001 Scalapack redistribute (1200.20334s) stopped
T12 << 1462281884.56174207 Distribute overlap matrix (2741.73431s) stopped
T12 >> 1462281884.56653500 Blacs Orbital Layouts (20744.05856s) started
T12 >> 1462281884.57535100 General diagonalize (20659.40598s) started
T12 << 1462281936.67177391 General diagonalize (20711.50240s) stopped
T12 >> 1462281936.67183089 Redistribute coefs (3.09503s) started
T12 << 1462281936.67971706 Redistribute coefs (3.10292s) stopped
T12 >> 1462281936.67977190 Send coefs to domains (78.08484s) started
T12 << 1462281936.77830005 Send coefs to domains (78.18337s) stopped
T12 << 1462281936.77868605 Blacs Orbital Layouts (20796.27071s) stopped
T12 >> 1462281936.77871490 Calculate projections (674.86641s) started
T12 << 1462281938.55785990 Calculate projections (676.64555s) stopped
T12 << 1462281938.55806208 LCAO eigensolver (24739.32009s) stopped
T12 >> 1462281941.74578309 Density (5952.28768s) started
T12 >> 1462281941.74579811 Pseudo density (4612.20026s) started
T12 >> 1462281941.74929810 Calculate density matrix (4334.86650s) started
T12 << 1462281953.48097801 Calculate density matrix (4346.59818s) stopped
T12 >> 1462281953.48103404 Construct density (270.02628s) started
T12 << 1462281954.23397303 Construct density (270.77922s) stopped
T12 >> 1462281954.25141597 Symmetrize density (0.03064s) started
T12 << 1462281954.25149298 Symmetrize density (0.03072s) stopped
T12 << 1462281954.25393295 Pseudo density (4624.70840s) stopped
T12 >> 1462281954.25400090 Atomic density matrices (1179.26040s) started
T12 << 1462281957.58860207 Atomic density matrices (1182.59500s) stopped
T12 >> 1462281957.58863997 Multipole moments (3.87757s) started
T12 << 1462281957.60167408 Multipole moments (3.89060s) stopped
T12 >> 1462281957.60170603 Normalize (2.46793s) started
T12 << 1462281957.61069489 Normalize (2.47692s) stopped
T12 >> 1462281957.61074710 Mix (154.45383s) started
T12 << 1462281958.03758001 Mix (154.88066s) stopped
T12 << 1462281958.03763795 Density (5968.57953s) stopped
T12 >> 1462281958.03766394 Hamiltonian (17068.62279s) started
T12 >> 1462281958.03767896 vbar (9.91614s) started
T12 << 1462281958.05901194 vbar (9.93747s) stopped
T12 >> 1462281958.05911899 XC 3D grid (10280.62702s) started
T12 >> 1462281958.65713096 van der Waals (9933.03458s) started
T12 >> 1462281958.76461911 semilocal (2094.39742s) started
T12 << 1462281964.51769710 semilocal (2100.15050s) stopped
T12 >> 1462281964.59361291 redistribute (1069.59216s) started
T12 << 1462281965.62334895 redistribute (1070.62189s) stopped
T12 >> 1462281965.62339401 libvdwxc nonlocal (6699.73159s) started
T12 << 1462281984.62291002 libvdwxc nonlocal (6718.73111s) stopped
T12 >> 1462281984.62297010 redistribute (1070.62193s) started
T12 << 1462281986.27519894 redistribute (1072.27415s) stopped
T12 << 1462281986.27633500 van der Waals (9960.65378s) stopped
T12 << 1462281986.74571609 XC 3D grid (10309.31361s) stopped
T12 >> 1462281986.74577308 Poisson (2283.73064s) started
T12 << 1462281989.73617792 Poisson (2286.72105s) stopped
T12 >> 1462281989.73626804 Hartree integrate/restrict (133.75524s) started
T12 << 1462281989.79325104 Hartree integrate/restrict (133.81223s) stopped
T12 >> 1462281989.79330206 Hartree integrate/restrict (133.81226s) started
T12 << 1462281990.10865092 Hartree integrate/restrict (134.12761s) stopped
T12 >> 1462281990.10875893 Atomic (867.04271s) started
T12 >> 1462281990.11044788 XC Correction (0.01188s) started
T12 << 1462281990.11046410 XC Correction (0.01190s) stopped
T12 << 1462281992.51499796 Atomic (869.44895s) stopped
T12 >> 1462281992.51509905 Communicate (3493.39360s) started
T12 << 1462282006.68081594 Communicate (3507.55932s) stopped
T12 << 1462282006.68085289 Hamiltonian (17117.26598s) stopped
T12 >> 1462282006.68087912 LCAO eigensolver (24739.32011s) started
T12 >> 1462282006.68089199 Potential matrix (373.18225s) started
T12 << 1462282007.63849807 Potential matrix (374.13986s) stopped
T12 >> 1462282007.63858509 DistributedAtomicCorrection (149.58883s) started
T12 << 1462282008.04986906 DistributedAtomicCorrection (150.00012s) stopped
T12 >> 1462282008.04993200 Distribute overlap matrix (2741.73432s) started
T12 >> 1462282008.04995394 blocked summation (1537.72191s) started
T12 << 1462282012.09484196 blocked summation (1541.76680s) stopped
T12 >> 1462282012.10427690 Scalapack redistribute (1200.20340s) started
T12 << 1462282015.60187888 Scalapack redistribute (1203.70100s) stopped
T12 << 1462282015.60194802 Distribute overlap matrix (2749.28634s) stopped
T12 >> 1462282015.60654497 Blacs Orbital Layouts (20796.27073s) started
T12 >> 1462282015.61561799 General diagonalize (20711.50244s) started
T12 << 1462282067.83999109 General diagonalize (20763.72682s) stopped
T12 >> 1462282067.84003711 Redistribute coefs (3.10296s) started
T12 << 1462282067.84814000 Redistribute coefs (3.11106s) stopped
T12 >> 1462282067.84818006 Send coefs to domains (78.18341s) started
T12 << 1462282067.95998192 Send coefs to domains (78.29521s) stopped
T12 << 1462282067.96062398 Blacs Orbital Layouts (20848.62480s) stopped
T12 >> 1462282067.96065092 Calculate projections (676.64560s) started
T12 << 1462282069.72866201 Calculate projections (678.41361s) stopped
T12 << 1462282069.72901201 LCAO eigensolver (24802.36825s) stopped
T12 << 1462282072.92481399 SCF-cycle (49126.75881s) stopped
T12 >> 1462282074.89445591 Force calculation (1961.02727s) started
T12 >> 1462282074.89452910 LCAO forces (1939.59862s) started
T12 >> 1462282074.89489698 Initial (0.00058s) started
T12 << 1462282074.89490795 Initial (0.00059s) stopped
T12 >> 1462282074.90139294 Get density matrix (1023.75634s) started
T12 << 1462282084.02911901 Get density matrix (1032.88407s) stopped
T12 >> 1462282084.02916193 Potential (154.45172s) started
T12 << 1462282090.01696897 Potential (160.43953s) stopped
T12 >> 1462282090.01702499 Get density matrix (1032.88410s) started
T12 << 1462282120.92180204 Get density matrix (1063.78888s) stopped
T12 >> 1462282120.92185903 Prepare TCI loop (53.90441s) started
T12 >> 1462282120.92235303 Get neighbors (48.95943s) started
T12 << 1462282122.82094598 Get neighbors (50.85802s) stopped
T12 >> 1462282122.82132006 broadcast dH (4.91661s) started
T12 << 1462282123.02638698 broadcast dH (5.12167s) stopped
T12 << 1462282123.02642894 Prepare TCI loop (56.00898s) stopped
T12 >> 1462282123.02644897 Not so complicated loop (3.00329s) started
T12 << 1462282123.14063501 Not so complicated loop (3.11747s) stopped
T12 >> 1462282123.25201988 Complicated loop (459.73061s) started
T12 << 1462282141.76913190 Complicated loop (478.24772s) stopped
T12 >> 1462282141.77012801 Wait for sum (241.60369s) started
T12 << 1462282151.37229896 Wait for sum (251.20586s) stopped
T12 << 1462282151.37233305 LCAO forces (2016.07643s) stopped
T12 << 1462282152.21031308 Force calculation (2038.34313s) stopped
T12 >> 1462282152.22808099 Initialization (3221.05069s) started
T12 << 1462282152.22825193 Initialization (3221.05086s) stopped
T12 >> 1462282152.22848606 Initialization (3221.05088s) started
T12 << 1462282152.22862005 Initialization (3221.05101s) stopped
T12 >> 1462282152.22875690 Initialization (3221.05102s) started
T12 << 1462282152.22889209 Initialization (3221.05116s) stopped
T12 >> 1462282172.56577396 Initialization (3221.05118s) started
T12 >> 1462282172.68841195 Basic WFS set positions (2.26708s) started
T12 >> 1462282172.68843508 Redistribute (0.01061s) started
T12 << 1462282172.68856192 Redistribute (0.01074s) stopped
T12 << 1462282172.77594090 Basic WFS set positions (2.35461s) stopped
T12 >> 1462282172.77596498 Basis functions set positions (46.54378s) started
T12 << 1462282174.60561109 Basis functions set positions (48.37342s) stopped
T12 >> 1462282174.60658312 TCI: Calculate S, T, P (392.02199s) started
T12 << 1462282189.79420996 TCI: Calculate S, T, P (407.20962s) stopped
T12 >> 1462282189.79426193 blocked summation (543.22672s) started
T12 << 1462282212.67319393 blocked summation (566.10565s) stopped
T12 >> 1462282212.68236208 Scalapack redistribute (209.47635s) started
T12 << 1462282222.96323299 Scalapack redistribute (219.75722s) stopped
T12 >> 1462282222.96432495 blocked summation (566.10574s) started
T12 << 1462282224.00568509 blocked summation (567.14710s) stopped
T12 >> 1462282224.01506591 Scalapack redistribute (219.75726s) started
T12 << 1462282224.22783804 Scalapack redistribute (219.97003s) stopped
T12 >> 1462282224.22991109 Redistribute (0.08317s) started
T12 << 1462282224.23044705 Redistribute (0.08371s) stopped
T12 >> 1462282225.93843389 Redistribute (0.08373s) started
T12 << 1462282225.93889689 Redistribute (0.08419s) stopped
T12 >> 1462282225.95348692 LCAO WFS Initialize (1974.04491s) started
T12 >> 1462282225.95353389 Density initialize from wavefunctions (369.83383s) started
T12 >> 1462282225.95920491 Calculate density matrix (257.11367s) started
T12 << 1462282235.74512005 Calculate density matrix (266.89958s) stopped
T12 >> 1462282235.74516797 Construct density (19.33756s) started
T12 << 1462282236.49944210 Construct density (20.09184s) stopped
T12 >> 1462282236.51384091 Symmetrize density (0.00205s) started
T12 << 1462282236.51390004 Symmetrize density (0.00211s) stopped
T12 << 1462282240.22412491 Density initialize from wavefunctions (384.10442s) stopped
T12 >> 1462282240.22440004 Hamiltonian (1603.29002s) started
T12 >> 1462282240.22441697 vbar (0.76643s) started
T12 << 1462282240.25135493 vbar (0.79337s) stopped
T12 >> 1462282240.25146604 XC 3D grid (776.33497s) started
T12 >> 1462282240.73849106 van der Waals (750.55367s) started
T12 >> 1462282240.85039902 semilocal (156.54393s) started
T12 << 1462282246.62486792 semilocal (162.31840s) stopped
T12 >> 1462282246.69584703 redistribute (90.16473s) started
T12 << 1462282247.70293689 redistribute (91.17182s) stopped
T12 >> 1462282247.70299196 libvdwxc nonlocal (498.66986s) started
T12 << 1462282266.03160501 libvdwxc nonlocal (516.99847s) stopped
T12 >> 1462282266.03164697 redistribute (91.17186s) started
T12 << 1462282267.68229508 redistribute (92.82251s) stopped
T12 << 1462282267.68344593 van der Waals (777.49862s) stopped
T12 << 1462282268.13768601 XC 3D grid (804.22119s) stopped
T12 >> 1462282268.13773489 Poisson (426.72813s) started
T12 << 1462282279.48490691 Poisson (438.07531s) stopped
T12 >> 1462282279.48500609 Hartree integrate/restrict (9.99281s) started
T12 << 1462282279.52927208 Hartree integrate/restrict (10.03708s) stopped
T12 >> 1462282279.52931190 Hartree integrate/restrict (10.03710s) started
T12 << 1462282279.84508204 Hartree integrate/restrict (10.35287s) stopped
T12 >> 1462282279.84516907 Atomic (63.67358s) started
T12 >> 1462282279.84708309 XC Correction (0.00110s) started
T12 << 1462282279.84709811 XC Correction (0.00111s) stopped
T12 << 1462282282.22620296 Atomic (66.05461s) stopped
T12 >> 1462282282.22637105 Communicate (325.75662s) started
T12 << 1462282298.92890191 Communicate (342.45915s) stopped
T12 << 1462282298.92893696 Hamiltonian (1661.99456s) stopped
T12 << 1462282298.92895103 LCAO WFS Initialize (2047.02037s) stopped
T12 << 1462282298.94106007 Initialization (3347.42647s) stopped
T12 >> 1462282298.96688604 SCF-cycle (49126.75883s) started
T12 >> 1462282298.96691990 LCAO eigensolver (24802.36827s) started
T12 >> 1462282298.96693301 Potential matrix (374.13991s) started
T12 << 1462282299.92963290 Potential matrix (375.10261s) stopped
T12 >> 1462282299.92970395 DistributedAtomicCorrection (150.00016s) started
T12 << 1462282300.35753989 DistributedAtomicCorrection (150.42799s) stopped
T12 >> 1462282300.35758710 Distribute overlap matrix (2749.28635s) started
T12 >> 1462282300.35762691 blocked summation (1541.76684s) started
T12 << 1462282304.54141498 blocked summation (1545.95063s) stopped
T12 >> 1462282304.55037093 Scalapack redistribute (1203.70103s) started
T12 << 1462282308.05712605 Scalapack redistribute (1207.20779s) stopped
T12 << 1462282308.05723500 Distribute overlap matrix (2756.98600s) stopped
T12 >> 1462282308.06140804 Blacs Orbital Layouts (20848.62482s) started
T12 >> 1462282308.06995392 General diagonalize (20763.72686s) started
T12 << 1462282363.26109791 General diagonalize (20818.91800s) stopped
T12 >> 1462282363.26115108 Redistribute coefs (3.11110s) started
T12 << 1462282363.26990604 Redistribute coefs (3.11985s) stopped
T12 >> 1462282363.26995301 Send coefs to domains (78.29524s) started
T12 << 1462282363.36775899 Send coefs to domains (78.39305s) stopped
T12 << 1462282363.36820507 Blacs Orbital Layouts (20903.93162s) stopped
T12 >> 1462282363.36823511 Calculate projections (678.41366s) started
T12 << 1462282365.14979506 Calculate projections (680.19522s) stopped
T12 << 1462282365.15004897 LCAO eigensolver (24868.55139s) stopped
T12 >> 1462282368.33156800 Density (5968.57955s) started
T12 >> 1462282368.33161402 Pseudo density (4624.70845s) started
T12 >> 1462282368.33408904 Calculate density matrix (4346.59822s) started
T12 << 1462282380.13808489 Calculate density matrix (4358.40221s) stopped
T12 >> 1462282380.13814211 Construct density (270.77928s) started
T12 << 1462282380.89311004 Construct density (271.53425s) stopped
T12 >> 1462282380.90922689 Symmetrize density (0.03074s) started
T12 << 1462282380.90930009 Symmetrize density (0.03081s) stopped
T12 << 1462282380.91177392 Pseudo density (4637.28861s) stopped
T12 >> 1462282380.91184711 Atomic density matrices (1182.59503s) started
T12 << 1462282384.33438110 Atomic density matrices (1186.01757s) stopped
T12 >> 1462282384.33441710 Multipole moments (3.89062s) started
T12 << 1462282384.34786701 Multipole moments (3.90407s) stopped
T12 >> 1462282384.34789205 Normalize (2.47696s) started
T12 << 1462282384.35442495 Normalize (2.48349s) stopped
T12 >> 1462282384.35447001 Mix (154.88072s) started
T12 << 1462282384.71446109 Mix (155.24071s) stopped
T12 << 1462282384.71452808 Density (5984.96251s) stopped
T12 >> 1462282384.71455908 Hamiltonian (17117.26600s) started
T12 >> 1462282384.71457601 vbar (9.93753s) started
T12 << 1462282384.74638009 vbar (9.96934s) stopped
T12 >> 1462282384.74654889 XC 3D grid (10309.31366s) started
T12 >> 1462282385.20196795 van der Waals (9960.65382s) started
T12 >> 1462282385.31735110 semilocal (2100.15060s) started
T12 << 1462282391.10151505 semilocal (2105.93476s) stopped
T12 >> 1462282391.17616105 redistribute (1072.27419s) started
T12 << 1462282392.18052602 redistribute (1073.27856s) stopped
T12 >> 1462282392.18057609 libvdwxc nonlocal (6718.73116s) started
T12 << 1462282410.03183508 libvdwxc nonlocal (6736.58242s) stopped
T12 >> 1462282410.03191090 redistribute (1073.27859s) started
T12 << 1462282411.95735407 redistribute (1075.20404s) stopped
T12 << 1462282411.95863795 van der Waals (9987.41049s) stopped
T12 << 1462282412.41829991 XC 3D grid (10336.98541s) stopped
T12 >> 1462282412.41834903 Poisson (2286.72112s) started
T12 << 1462282416.70340800 Poisson (2291.00618s) stopped
T12 >> 1462282416.70349097 Hartree integrate/restrict (134.12766s) started
T12 << 1462282416.74119306 Hartree integrate/restrict (134.16536s) stopped
T12 >> 1462282416.74128604 Hartree integrate/restrict (134.16542s) started
T12 << 1462282417.06427598 Hartree integrate/restrict (134.48841s) stopped
T12 >> 1462282417.06435609 Atomic (869.44897s) started
T12 >> 1462282417.06665397 XC Correction (0.01191s) started
T12 << 1462282417.06669593 XC Correction (0.01195s) stopped
T12 << 1462282419.46012306 Atomic (871.84474s) stopped
T12 >> 1462282419.46031904 Communicate (3507.55934s) started
T12 << 1462282436.08388400 Communicate (3524.18291s) stopped
T12 << 1462282436.08391500 Hamiltonian (17168.63535s) stopped
T12 >> 1462282436.08393788 LCAO eigensolver (24868.55141s) started
T12 >> 1462282436.08395004 Potential matrix (375.10265s) started
T12 << 1462282437.04415202 Potential matrix (376.06285s) stopped
T12 >> 1462282437.04423094 DistributedAtomicCorrection (150.42803s) started
T12 << 1462282437.43629909 DistributedAtomicCorrection (150.82010s) stopped
T12 >> 1462282437.43634605 Distribute overlap matrix (2756.98602s) started
T12 >> 1462282437.43638897 blocked summation (1545.95068s) started
T12 << 1462282441.64514589 blocked summation (1550.15943s) stopped
T12 >> 1462282441.65510511 Scalapack redistribute (1207.20785s) started
T12 << 1462282445.16785002 Scalapack redistribute (1210.72059s) stopped
T12 << 1462282445.16797090 Distribute overlap matrix (2764.71764s) stopped
T12 >> 1462282445.17274189 Blacs Orbital Layouts (20903.93164s) started
T12 >> 1462282445.18145895 General diagonalize (20818.91804s) started
T12 << 1462282499.73765206 General diagonalize (20873.47424s) stopped
T12 >> 1462282499.73770308 Redistribute coefs (3.11989s) started
T12 << 1462282499.74589300 Redistribute coefs (3.12808s) stopped
T12 >> 1462282499.74594092 Send coefs to domains (78.39308s) started
T12 << 1462282499.86469793 Send coefs to domains (78.51184s) stopped
T12 << 1462282499.86521506 Blacs Orbital Layouts (20958.62411s) stopped
T12 >> 1462282499.86524510 Calculate projections (680.19528s) started
T12 << 1462282501.64465904 Calculate projections (681.97470s) stopped
T12 << 1462282501.64506197 LCAO eigensolver (24934.11254s) stopped
T12 >> 1462282504.80737090 Density (5984.96252s) started
T12 >> 1462282504.80738592 Pseudo density (4637.28867s) started
T12 >> 1462282504.81003404 Calculate density matrix (4358.40225s) started
T12 << 1462282516.67860889 Calculate density matrix (4370.27083s) stopped
T12 >> 1462282516.67866302 Construct density (271.53431s) started
T12 << 1462282517.43527102 Construct density (272.29091s) stopped
T12 >> 1462282517.45138001 Symmetrize density (0.03083s) started
T12 << 1462282517.45146298 Symmetrize density (0.03092s) stopped
T12 << 1462282517.45393300 Pseudo density (4649.93521s) stopped
T12 >> 1462282517.45400310 Atomic density matrices (1186.01759s) started
T12 << 1462282520.82484102 Atomic density matrices (1189.38843s) stopped
T12 >> 1462282520.82487702 Multipole moments (3.90409s) started
T12 << 1462282520.83832693 Multipole moments (3.91754s) stopped
T12 >> 1462282520.83835101 Normalize (2.48352s) started
T12 << 1462282520.84494591 Normalize (2.49012s) stopped
T12 >> 1462282520.84499097 Mix (155.24078s) started
T12 << 1462282521.20663190 Mix (155.60242s) stopped
T12 << 1462282521.20670390 Density (6001.36186s) stopped
T12 >> 1462282521.20673609 Hamiltonian (17168.63537s) started
T12 >> 1462282521.20675302 vbar (9.96942s) started
T12 << 1462282521.23257208 vbar (9.99524s) stopped
T12 >> 1462282521.23270702 XC 3D grid (10336.98545s) started
T12 >> 1462282521.76411295 van der Waals (9987.41052s) started
T12 >> 1462282521.87691402 semilocal (2105.93488s) started
T12 << 1462282527.61921191 semilocal (2111.67718s) stopped
T12 >> 1462282527.69564199 redistribute (1075.20409s) started
T12 << 1462282528.72198701 redistribute (1076.23044s) stopped
T12 >> 1462282528.72205997 libvdwxc nonlocal (6736.58247s) started
T12 << 1462282547.01018500 libvdwxc nonlocal (6754.87060s) stopped
T12 >> 1462282547.01026201 redistribute (1076.23049s) started
T12 << 1462282549.04870009 redistribute (1078.26893s) stopped
T12 << 1462282549.04997611 van der Waals (10014.69638s) stopped
T12 << 1462282549.50871897 XC 3D grid (10365.26146s) stopped
T12 >> 1462282549.50878811 Poisson (2291.00624s) started
T12 << 1462282556.73179007 Poisson (2298.22924s) stopped
T12 >> 1462282556.73193192 Hartree integrate/restrict (134.48845s) started
T12 << 1462282556.77027607 Hartree integrate/restrict (134.52679s) stopped
T12 >> 1462282556.77037191 Hartree integrate/restrict (134.52685s) started
T12 << 1462282557.10092402 Hartree integrate/restrict (134.85740s) stopped
T12 >> 1462282557.10100603 Atomic (871.84476s) started
T12 >> 1462282557.10304689 XC Correction (0.01197s) started
T12 << 1462282557.10308194 XC Correction (0.01200s) stopped
T12 << 1462282559.51289511 Atomic (874.25665s) stopped
T12 >> 1462282559.51307893 Communicate (3524.18293s) started
T12 << 1462282576.16303706 Communicate (3540.83289s) stopped
T12 << 1462282576.16307306 Hamiltonian (17223.59170s) stopped
T12 >> 1462282576.16309810 LCAO eigensolver (24934.11256s) started
T12 >> 1462282576.16311097 Potential matrix (376.06290s) started
T12 << 1462282577.12794805 Potential matrix (377.02773s) stopped
T12 >> 1462282577.12802696 DistributedAtomicCorrection (150.82014s) started
T12 << 1462282577.53222895 DistributedAtomicCorrection (151.22434s) stopped
T12 >> 1462282577.53227806 Distribute overlap matrix (2764.71765s) started
T12 >> 1462282577.53232288 blocked summation (1550.15947s) started
T12 << 1462282581.83002210 blocked summation (1554.45717s) stopped
T12 >> 1462282581.83960795 Scalapack redistribute (1210.72066s) started
T12 << 1462282585.27536106 Scalapack redistribute (1214.15641s) stopped
T12 << 1462282585.27544808 Distribute overlap matrix (2772.46082s) stopped
T12 >> 1462282585.28046608 Blacs Orbital Layouts (20958.62413s) started
T12 >> 1462282585.28956008 General diagonalize (20873.47428s) started
T12 << 1462282640.02206802 General diagonalize (20928.20679s) stopped
T12 >> 1462282640.02211404 Redistribute coefs (3.12811s) started
T12 << 1462282640.02967691 Redistribute coefs (3.13568s) stopped
T12 >> 1462282640.02972794 Send coefs to domains (78.51188s) started
T12 << 1462282640.12332392 Send coefs to domains (78.60548s) stopped
T12 << 1462282640.12382197 Blacs Orbital Layouts (21013.46749s) stopped
T12 >> 1462282640.12385106 Calculate projections (681.97475s) started
T12 << 1462282641.89412999 Calculate projections (683.74503s) stopped
T12 << 1462282641.89467907 LCAO eigensolver (24999.84414s) stopped
T12 >> 1462282645.06483793 Density (6001.36187s) started
T12 >> 1462282645.06485200 Pseudo density (4649.93527s) started
T12 >> 1462282645.06676507 Calculate density matrix (4370.27086s) started
T12 << 1462282656.84055495 Calculate density matrix (4382.04465s) stopped
T12 >> 1462282656.84060311 Construct density (272.29097s) started
T12 << 1462282657.59518790 Construct density (273.04556s) stopped
T12 >> 1462282657.60990500 Symmetrize density (0.03093s) started
T12 << 1462282657.60997009 Symmetrize density (0.03100s) stopped
T12 << 1462282657.61205196 Pseudo density (4662.48247s) stopped
T12 >> 1462282657.61210895 Atomic density matrices (1189.38846s) started
T12 << 1462282660.95521212 Atomic density matrices (1192.73156s) stopped
T12 >> 1462282660.95524406 Multipole moments (3.91755s) started
T12 << 1462282660.96903706 Multipole moments (3.93135s) stopped
T12 >> 1462282660.96905994 Normalize (2.49015s) started
T12 << 1462282660.97517490 Normalize (2.49626s) stopped
T12 >> 1462282660.97526789 Mix (155.60249s) started
T12 << 1462282661.36314702 Mix (155.99037s) stopped
T12 << 1462282661.36319590 Density (6017.66023s) stopped
T12 >> 1462282661.36322188 Hamiltonian (17223.59171s) started
T12 >> 1462282661.36323690 vbar (9.99533s) started
T12 << 1462282661.38188910 vbar (10.01398s) stopped
T12 >> 1462282661.38198996 XC 3D grid (10365.26151s) started
T12 >> 1462282661.91337991 van der Waals (10014.69641s) started
T12 >> 1462282662.02547908 semilocal (2111.67729s) started
T12 << 1462282667.75637293 semilocal (2117.40819s) stopped
T12 >> 1462282667.82867289 redistribute (1078.26900s) started
T12 << 1462282668.88884711 redistribute (1079.32917s) stopped
T12 >> 1462282668.88889694 libvdwxc nonlocal (6754.87066s) started
T12 << 1462282687.13353992 libvdwxc nonlocal (6773.11530s) stopped
T12 >> 1462282687.13362002 redistribute (1079.32921s) started
T12 << 1462282689.05660892 redistribute (1081.25220s) stopped
T12 << 1462282689.05765510 van der Waals (10041.84068s) stopped
T12 << 1462282689.51339197 XC 3D grid (10393.39292s) stopped
T12 >> 1462282689.51344204 Poisson (2298.22935s) started
T12 << 1462282695.21966410 Poisson (2303.93557s) stopped
T12 >> 1462282695.21976399 Hartree integrate/restrict (134.85744s) started
T12 << 1462282695.25852299 Hartree integrate/restrict (134.89620s) stopped
T12 >> 1462282695.25860190 Hartree integrate/restrict (134.89625s) started
T12 << 1462282695.58481312 Hartree integrate/restrict (135.22246s) stopped
T12 >> 1462282695.58489108 Atomic (874.25668s) started
T12 >> 1462282695.58679104 XC Correction (0.01202s) started
T12 << 1462282695.58681703 XC Correction (0.01204s) stopped
T12 << 1462282697.99566698 Atomic (876.66745s) stopped
T12 >> 1462282697.99584293 Communicate (3540.83291s) started
T12 << 1462282713.94431496 Communicate (3556.78138s) stopped
T12 << 1462282713.94435096 Hamiltonian (17276.17284s) stopped
T12 >> 1462282713.94437599 LCAO eigensolver (24999.84416s) started
T12 >> 1462282713.94438910 Potential matrix (377.02778s) started
T12 << 1462282714.90357995 Potential matrix (377.98697s) stopped
T12 >> 1462282714.90366101 DistributedAtomicCorrection (151.22438s) started
T12 << 1462282715.30381799 DistributedAtomicCorrection (151.62453s) stopped
T12 >> 1462282715.30386591 Distribute overlap matrix (2772.46084s) started
T12 >> 1462282715.30391002 blocked summation (1554.45722s) started
T12 << 1462282719.53554010 blocked summation (1558.68885s) stopped
T12 >> 1462282719.54518294 Scalapack redistribute (1214.15645s) started
T12 << 1462282723.09960794 Scalapack redistribute (1217.71087s) stopped
T12 << 1462282723.09973502 Distribute overlap matrix (2780.25671s) stopped
T12 >> 1462282723.10434008 Blacs Orbital Layouts (21013.46751s) started
T12 >> 1462282723.11294389 General diagonalize (20928.20682s) started
T12 << 1462282777.36181307 General diagonalize (20982.45569s) stopped
T12 >> 1462282777.36185789 Redistribute coefs (3.13571s) started
T12 << 1462282777.36929488 Redistribute coefs (3.14315s) stopped
T12 >> 1462282777.36938000 Send coefs to domains (78.60551s) started
T12 << 1462282777.96172500 Send coefs to domains (79.19785s) stopped
T12 << 1462282777.96241593 Blacs Orbital Layouts (21068.32558s) stopped
T12 >> 1462282777.96244502 Calculate projections (683.74508s) started
T12 << 1462282779.73036790 Calculate projections (685.51300s) stopped
T12 << 1462282779.73059702 LCAO eigensolver (25065.63038s) stopped
T12 >> 1462282782.92771697 Density (6017.66024s) started
T12 >> 1462282782.92773104 Pseudo density (4662.48251s) started
T12 >> 1462282782.93015003 Calculate density matrix (4382.04469s) started
T12 << 1462282794.74950004 Calculate density matrix (4393.86404s) stopped
T12 >> 1462282794.74954891 Construct density (273.04561s) started
T12 << 1462282795.51102805 Construct density (273.80709s) stopped
T12 >> 1462282795.52518892 Symmetrize density (0.03101s) started
T12 << 1462282795.52525592 Symmetrize density (0.03108s) stopped
T12 << 1462282795.52735209 Pseudo density (4675.08214s) stopped
T12 >> 1462282795.52741003 Atomic density matrices (1192.73159s) started
T12 << 1462282798.82656693 Atomic density matrices (1196.03074s) stopped
T12 >> 1462282798.82659888 Multipole moments (3.93136s) started
T12 << 1462282798.83952188 Multipole moments (3.94428s) stopped
T12 >> 1462282798.83955312 Normalize (2.49634s) started
T12 << 1462282798.84559107 Normalize (2.50238s) stopped
T12 >> 1462282798.84566593 Mix (155.99041s) started
T12 << 1462282799.27044392 Mix (156.41519s) stopped
T12 << 1462282799.27049589 Density (6034.00302s) stopped
T12 >> 1462282799.27052307 Hamiltonian (17276.17286s) started
T12 >> 1462282799.27053809 vbar (10.01403s) started
T12 << 1462282799.29588795 vbar (10.03938s) stopped
T12 >> 1462282799.29599595 XC 3D grid (10393.39295s) started
T12 >> 1462282799.85559297 van der Waals (10041.84070s) started
T12 >> 1462282799.96390605 semilocal (2117.40827s) started
T12 << 1462282805.64205503 semilocal (2123.08642s) stopped
T12 >> 1462282805.72424698 redistribute (1081.25226s) started
T12 << 1462282806.78744411 redistribute (1082.31545s) stopped
T12 >> 1462282806.78748989 libvdwxc nonlocal (6773.11536s) started
T12 << 1462282824.96569610 libvdwxc nonlocal (6791.29357s) stopped
T12 >> 1462282824.96576500 redistribute (1082.31549s) started
T12 << 1462282826.79873395 redistribute (1084.14846s) stopped
T12 << 1462282826.79964495 van der Waals (10068.78476s) stopped
T12 << 1462282827.26031399 XC 3D grid (10421.35727s) stopped
T12 >> 1462282827.26036501 Poisson (2303.93564s) started
T12 << 1462282833.08054209 Poisson (2309.75582s) stopped
T12 >> 1462282833.08063698 Hartree integrate/restrict (135.22250s) started
T12 << 1462282833.12232709 Hartree integrate/restrict (135.26419s) stopped
T12 >> 1462282833.12237096 Hartree integrate/restrict (135.26422s) started
T12 << 1462282833.43782210 Hartree integrate/restrict (135.57967s) stopped
T12 >> 1462282833.43789101 Atomic (876.66748s) started
T12 >> 1462282833.43968105 XC Correction (0.01206s) started
T12 << 1462282833.43971610 XC Correction (0.01209s) stopped
T12 << 1462282835.83744097 Atomic (879.06703s) stopped
T12 >> 1462282835.83758497 Communicate (3556.78140s) started
T12 << 1462282850.81050301 Communicate (3571.75432s) stopped
T12 << 1462282850.81053901 Hamiltonian (17327.71287s) stopped
T12 >> 1462282850.81056404 LCAO eigensolver (25065.63040s) started
T12 >> 1462282850.81057692 Potential matrix (377.98702s) started
T12 << 1462282851.77575207 Potential matrix (378.95219s) stopped
T12 >> 1462282851.77583909 DistributedAtomicCorrection (151.62457s) started
T12 << 1462282852.17977500 DistributedAtomicCorrection (152.02851s) stopped
T12 >> 1462282852.17982697 Distribute overlap matrix (2780.25672s) started
T12 >> 1462282852.17986608 blocked summation (1558.68889s) started
T12 << 1462282856.36760211 blocked summation (1562.87663s) stopped
T12 >> 1462282856.37740898 Scalapack redistribute (1217.71094s) started
T12 << 1462282859.88345909 Scalapack redistribute (1221.21699s) stopped
T12 << 1462282859.88356590 Distribute overlap matrix (2787.96046s) stopped
T12 >> 1462282859.88778305 Blacs Orbital Layouts (21068.32561s) started
T12 >> 1462282859.89656091 General diagonalize (20982.45573s) started
T12 << 1462282914.27456498 General diagonalize (21036.83373s) stopped
T12 >> 1462282914.27461791 Redistribute coefs (3.14322s) started
T12 << 1462282914.28330112 Redistribute coefs (3.15190s) stopped
T12 >> 1462282914.28334999 Send coefs to domains (79.19789s) started
T12 << 1462282914.39623094 Send coefs to domains (79.31077s) stopped
T12 << 1462282914.39669800 Blacs Orbital Layouts (21122.83452s) stopped
T12 >> 1462282914.39672804 Calculate projections (685.51305s) started
T12 << 1462282916.17565703 Calculate projections (687.29198s) stopped
T12 << 1462282916.17613196 LCAO eigensolver (25130.99597s) stopped
T12 >> 1462282919.36551404 Density (6034.00303s) started
T12 >> 1462282919.36552906 Pseudo density (4675.08218s) started
T12 >> 1462282919.36830807 Calculate density matrix (4393.86407s) started
T12 << 1462282931.12936592 Calculate density matrix (4405.62513s) stopped
T12 >> 1462282931.12942410 Construct density (273.80715s) started
T12 << 1462282931.88345003 Construct density (274.56117s) stopped
T12 >> 1462282931.89963698 Symmetrize density (0.03110s) started
T12 << 1462282931.89971089 Symmetrize density (0.03117s) stopped
T12 << 1462282931.90216303 Pseudo density (4687.61882s) stopped
T12 >> 1462282931.90223193 Atomic density matrices (1196.03077s) started
T12 << 1462282935.34229398 Atomic density matrices (1199.47083s) stopped
T12 >> 1462282935.34232998 Multipole moments (3.94430s) started
T12 << 1462282935.35525203 Multipole moments (3.95722s) stopped
T12 >> 1462282935.35528493 Normalize (2.50244s) started
T12 << 1462282935.36315894 Normalize (2.51031s) stopped
T12 >> 1462282935.36320901 Mix (156.41524s) started
T12 << 1462282935.79630399 Mix (156.84834s) stopped
T12 << 1462282935.79634595 Density (6050.43387s) stopped
T12 >> 1462282935.79637003 Hamiltonian (17327.71288s) started
T12 >> 1462282935.79638505 vbar (10.03945s) started
T12 << 1462282935.82937503 vbar (10.07244s) stopped
T12 >> 1462282935.82956195 XC 3D grid (10421.35731s) started
T12 >> 1462282936.31309104 van der Waals (10068.78478s) started
T12 >> 1462282936.42604208 semilocal (2123.08655s) started
T12 << 1462282942.18096995 semilocal (2128.84148s) stopped
T12 >> 1462282942.25689507 redistribute (1084.14851s) started
T12 << 1462282943.28682208 redistribute (1085.17844s) stopped
T12 >> 1462282943.28687310 libvdwxc nonlocal (6791.29362s) started
T12 << 1462282961.54660296 libvdwxc nonlocal (6809.55335s) stopped
T12 >> 1462282961.54668498 redistribute (1085.17847s) started
T12 << 1462282963.50529790 redistribute (1087.13709s) stopped
T12 << 1462282963.50641990 van der Waals (10095.97811s) stopped
T12 << 1462282963.95922089 XC 3D grid (10449.48697s) stopped
T12 >> 1462282963.95927095 Poisson (2309.75589s) started
T12 << 1462282969.84176207 Poisson (2315.63838s) stopped
T12 >> 1462282969.84185600 Hartree integrate/restrict (135.57970s) started
T12 << 1462282969.87933111 Hartree integrate/restrict (135.61717s) stopped
T12 >> 1462282969.87942696 Hartree integrate/restrict (135.61723s) started
T12 << 1462282970.21380591 Hartree integrate/restrict (135.95161s) stopped
T12 >> 1462282970.21396589 Atomic (879.06705s) started
T12 >> 1462282970.21677589 XC Correction (0.01211s) started
T12 << 1462282970.21682501 XC Correction (0.01216s) stopped
T12 << 1462282972.62038493 Atomic (881.47347s) stopped
T12 >> 1462282972.62054706 Communicate (3571.75435s) started
T12 << 1462282987.15279508 Communicate (3586.28659s) stopped
T12 << 1462282987.15283895 Hamiltonian (17379.06935s) stopped
T12 >> 1462282987.15286589 LCAO eigensolver (25130.99599s) started
T12 >> 1462282987.15287900 Potential matrix (378.95224s) started
T12 << 1462282988.12032390 Potential matrix (379.91969s) stopped
T12 >> 1462282988.12040401 DistributedAtomicCorrection (152.02855s) started
T12 << 1462282988.51798201 DistributedAtomicCorrection (152.42613s) stopped
T12 >> 1462282988.51802993 Distribute overlap matrix (2787.96047s) started
T12 >> 1462282988.51807404 blocked summation (1562.87666s) started
T12 << 1462282992.69741988 blocked summation (1567.05600s) stopped
T12 >> 1462282992.70647693 Scalapack redistribute (1221.21706s) started
T12 << 1462282996.11088300 Scalapack redistribute (1224.62146s) stopped
T12 << 1462282996.11099100 Distribute overlap matrix (2795.55343s) stopped
T12 >> 1462282996.11604691 Blacs Orbital Layouts (21122.83454s) started
T12 >> 1462282996.12483692 General diagonalize (21036.83378s) started
T12 << 1462283051.38873601 General diagonalize (21092.09768s) stopped
T12 >> 1462283051.38878608 Redistribute coefs (3.15194s) started
T12 << 1462283051.39628100 Redistribute coefs (3.15943s) stopped
T12 >> 1462283051.39632607 Send coefs to domains (79.31080s) started
T12 << 1462283051.77111292 Send coefs to domains (79.68559s) stopped
T12 << 1462283051.77161503 Blacs Orbital Layouts (21178.49011s) stopped
T12 >> 1462283051.77164197 Calculate projections (687.29204s) started
T12 << 1462283053.54122400 Calculate projections (689.06162s) stopped
T12 << 1462283053.54145908 LCAO eigensolver (25197.38458s) stopped
T12 >> 1462283056.73811007 Density (6050.43388s) started
T12 >> 1462283056.73812509 Pseudo density (4687.61887s) started
T12 >> 1462283056.74002409 Calculate density matrix (4405.62517s) started
T12 << 1462283068.49570298 Calculate density matrix (4417.38084s) stopped
T12 >> 1462283068.49575090 Construct density (274.56123s) started
T12 << 1462283069.25148892 Construct density (275.31697s) stopped
T12 >> 1462283069.26569390 Symmetrize density (0.03119s) started
T12 << 1462283069.26575089 Symmetrize density (0.03125s) stopped
T12 << 1462283069.26784492 Pseudo density (4700.14859s) stopped
T12 >> 1462283069.26790309 Atomic density matrices (1199.47086s) started
T12 << 1462283072.61844301 Atomic density matrices (1202.82140s) stopped
T12 >> 1462283072.61847711 Multipole moments (3.95724s) started
T12 << 1462283072.63215494 Multipole moments (3.97092s) stopped
T12 >> 1462283072.63218808 Normalize (2.51035s) started
T12 << 1462283072.63825202 Normalize (2.51641s) stopped
T12 >> 1462283072.63832092 Mix (156.84838s) started
T12 << 1462283073.06601596 Mix (157.27607s) stopped
T12 << 1462283073.06607509 Density (6066.76184s) stopped
T12 >> 1462283073.06609988 Hamiltonian (17379.06937s) started
T12 >> 1462283073.06611395 vbar (10.07255s) started
T12 << 1462283073.08664203 vbar (10.09307s) stopped
T12 >> 1462283073.08676600 XC 3D grid (10449.48701s) started
T12 >> 1462283073.59717607 van der Waals (10095.97814s) started
T12 >> 1462283073.70790911 semilocal (2128.84159s) started
T12 << 1462283079.48898005 semilocal (2134.62267s) stopped
T12 >> 1462283079.56017089 redistribute (1087.13713s) started
T12 << 1462283080.58054900 redistribute (1088.15751s) stopped
T12 >> 1462283080.58059192 libvdwxc nonlocal (6809.55341s) started
T12 << 1462283099.23027706 libvdwxc nonlocal (6828.20310s) stopped
T12 >> 1462283099.23034692 redistribute (1088.15754s) started
T12 << 1462283101.27183604 redistribute (1090.19903s) stopped
T12 << 1462283101.27327800 van der Waals (10123.65424s) stopped
T12 << 1462283101.75414491 XC 3D grid (10478.15439s) stopped
T12 >> 1462283101.75419092 Poisson (2315.63845s) started
T12 << 1462283106.20063591 Poisson (2320.08490s) stopped
T12 >> 1462283106.20077705 Hartree integrate/restrict (135.95170s) started
T12 << 1462283106.24241304 Hartree integrate/restrict (135.99333s) stopped
T12 >> 1462283106.24256992 Hartree integrate/restrict (135.99343s) started
T12 << 1462283106.57848597 Hartree integrate/restrict (136.32935s) stopped
T12 >> 1462283106.57867098 Atomic (881.47350s) started
T12 >> 1462283106.58149195 XC Correction (0.01218s) started
T12 << 1462283106.58153296 XC Correction (0.01222s) stopped
T12 << 1462283108.97674203 Atomic (883.87157s) stopped
T12 >> 1462283108.97689390 Communicate (3586.28663s) started
T12 << 1462283123.61401796 Communicate (3600.92375s) stopped
T12 << 1462283123.61405611 Hamiltonian (17429.61732s) stopped
T12 >> 1462283123.61408210 LCAO eigensolver (25197.38460s) started
T12 >> 1462283123.61409497 Potential matrix (379.91973s) started
T12 << 1462283124.58157992 Potential matrix (380.88722s) stopped
T12 >> 1462283124.58165908 DistributedAtomicCorrection (152.42617s) started
T12 << 1462283124.97642899 DistributedAtomicCorrection (152.82094s) stopped
T12 >> 1462283124.97647810 Distribute overlap matrix (2795.55345s) started
T12 >> 1462283124.97652102 blocked summation (1567.05606s) started
T12 << 1462283129.19666600 blocked summation (1571.27620s) stopped
T12 >> 1462283129.20624399 Scalapack redistribute (1224.62152s) started
T12 << 1462283132.60297608 Scalapack redistribute (1228.01825s) stopped
T12 << 1462283132.60309005 Distribute overlap matrix (2803.18006s) stopped
T12 >> 1462283132.60800409 Blacs Orbital Layouts (21178.49013s) started
T12 >> 1462283132.61648107 General diagonalize (21092.09771s) started
T12 << 1462283187.70132804 General diagonalize (21147.18256s) stopped
T12 >> 1462283187.70138311 Redistribute coefs (3.15947s) started
T12 << 1462283187.70941210 Redistribute coefs (3.16750s) stopped
T12 >> 1462283187.70946002 Send coefs to domains (79.68562s) started
T12 << 1462283188.03889704 Send coefs to domains (80.01506s) stopped
T12 << 1462283188.03923798 Blacs Orbital Layouts (21233.92136s) stopped
T12 >> 1462283188.03926992 Calculate projections (689.06167s) started
T12 << 1462283189.81910610 Calculate projections (690.84151s) stopped
T12 << 1462283189.81931591 LCAO eigensolver (25263.58983s) stopped
T12 >> 1462283192.99719405 Density (6066.76186s) started
T12 >> 1462283192.99721003 Pseudo density (4700.14864s) started
T12 >> 1462283192.99961495 Calculate density matrix (4417.38088s) started
T12 << 1462283204.81324601 Calculate density matrix (4429.19451s) stopped
T12 >> 1462283204.81330299 Construct density (275.31702s) started
T12 << 1462283205.56862211 Construct density (276.07234s) stopped
T12 >> 1462283205.58519006 Symmetrize density (0.03127s) started
T12 << 1462283205.58526707 Symmetrize density (0.03134s) stopped
T12 << 1462283205.58772397 Pseudo density (4712.73915s) stopped
T12 >> 1462283205.58779192 Atomic density matrices (1202.82143s) started
T12 << 1462283208.89764690 Atomic density matrices (1206.13128s) stopped
T12 >> 1462283208.89768410 Multipole moments (3.97094s) started
T12 << 1462283208.91132402 Multipole moments (3.98458s) stopped
T12 >> 1462283208.91135597 Normalize (2.51646s) started
T12 << 1462283208.91815591 Normalize (2.52326s) stopped
T12 >> 1462283208.91820192 Mix (157.27613s) started
T12 << 1462283209.36921501 Mix (157.72714s) stopped
T12 << 1462283209.36925507 Density (6083.13392s) stopped
T12 >> 1462283209.36928391 Hamiltonian (17429.61733s) started
T12 >> 1462283209.36929989 vbar (10.09314s) started
T12 << 1462283209.39789796 vbar (10.12174s) stopped
T12 >> 1462283209.39811897 XC 3D grid (10478.15443s) started
T12 >> 1462283209.88169289 van der Waals (10123.65428s) started
T12 >> 1462283209.99664903 semilocal (2134.62274s) started
T12 << 1462283215.75390005 semilocal (2140.37999s) stopped
T12 >> 1462283215.82942510 redistribute (1090.19907s) started
T12 << 1462283216.85965800 redistribute (1091.22930s) stopped
T12 >> 1462283216.85973191 libvdwxc nonlocal (6828.20315s) started
T12 << 1462283234.64883590 libvdwxc nonlocal (6845.99225s) stopped
T12 >> 1462283234.64892197 redistribute (1091.22936s) started
T12 << 1462283236.70748496 redistribute (1093.28792s) stopped
T12 << 1462283236.70888495 van der Waals (10150.48147s) stopped
T12 << 1462283237.17450309 XC 3D grid (10505.93082s) stopped
T12 >> 1462283237.17455411 Poisson (2320.08501s) started
T12 << 1462283241.46396089 Poisson (2324.37441s) stopped
T12 >> 1462283241.46406007 Hartree integrate/restrict (136.32944s) started
T12 << 1462283241.50267911 Hartree integrate/restrict (136.36806s) stopped
T12 >> 1462283241.50282788 Hartree integrate/restrict (136.36816s) started
T12 << 1462283241.87488294 Hartree integrate/restrict (136.74022s) stopped
T12 >> 1462283241.87497306 Atomic (883.87159s) started
T12 >> 1462283241.87677789 XC Correction (0.01223s) started
T12 << 1462283241.87679911 XC Correction (0.01225s) stopped
T12 << 1462283244.28038812 Atomic (886.27701s) stopped
T12 >> 1462283244.28052711 Communicate (3600.92378s) started
T12 << 1462283258.99440193 Communicate (3615.63765s) stopped
T12 << 1462283258.99444294 Hamiltonian (17479.24249s) stopped
T12 >> 1462283258.99446988 LCAO eigensolver (25263.58985s) started
T12 >> 1462283258.99448395 Potential matrix (380.88726s) started
T12 << 1462283259.95088696 Potential matrix (381.84367s) stopped
T12 >> 1462283259.95097899 DistributedAtomicCorrection (152.82098s) started
T12 << 1462283260.35230899 DistributedAtomicCorrection (153.22231s) stopped
T12 >> 1462283260.35235691 Distribute overlap matrix (2803.18007s) started
T12 >> 1462283260.35240602 blocked summation (1571.27626s) started
T12 << 1462283264.58336306 blocked summation (1575.50722s) stopped
T12 >> 1462283264.59246397 Scalapack redistribute (1228.01832s) started
T12 << 1462283268.01664996 Scalapack redistribute (1231.44250s) stopped
T12 << 1462283268.01677203 Distribute overlap matrix (2810.84449s) stopped
T12 >> 1462283268.02148509 Blacs Orbital Layouts (21233.92138s) started
T12 >> 1462283268.03066492 General diagonalize (21147.18260s) started
T12 << 1462283322.03366995 General diagonalize (21201.18561s) stopped
T12 >> 1462283322.03372312 Redistribute coefs (3.16753s) started
T12 << 1462283322.04178190 Redistribute coefs (3.17559s) stopped
T12 >> 1462283322.04183602 Send coefs to domains (80.01510s) started
T12 << 1462283322.57297993 Send coefs to domains (80.54624s) stopped
T12 << 1462283322.57355309 Blacs Orbital Layouts (21288.47345s) stopped
T12 >> 1462283322.57358503 Calculate projections (690.84156s) started
T12 << 1462283324.35471511 Calculate projections (692.62269s) stopped
T12 << 1462283324.35492802 LCAO eigensolver (25328.95031s) stopped
T12 >> 1462283327.54570293 Density (6083.13393s) started
T12 >> 1462283327.54571795 Pseudo density (4712.73920s) started
T12 >> 1462283327.54833007 Calculate density matrix (4429.19455s) started
T12 << 1462283339.34527898 Calculate density matrix (4440.99150s) stopped
T12 >> 1462283339.34533501 Construct density (276.07240s) started
T12 << 1462283340.10094404 Construct density (276.82801s) stopped
T12 >> 1462283340.11715007 Symmetrize density (0.03136s) started
T12 << 1462283340.11722207 Symmetrize density (0.03144s) stopped
T12 << 1462283340.11966896 Pseudo density (4725.31315s) stopped
T12 >> 1462283340.11973906 Atomic density matrices (1206.13131s) started
T12 << 1462283343.46043301 Atomic density matrices (1209.47200s) stopped
T12 >> 1462283343.46047211 Multipole moments (3.98459s) started
T12 << 1462283343.47414207 Multipole moments (3.99826s) stopped
T12 >> 1462283343.47417498 Normalize (2.52330s) started
T12 << 1462283343.48099995 Normalize (2.53012s) stopped
T12 >> 1462283343.48104310 Mix (157.72718s) started
T12 << 1462283343.90541911 Mix (158.15156s) stopped
T12 << 1462283343.90548491 Density (6099.49371s) stopped
T12 >> 1462283343.90551305 Hamiltonian (17479.24251s) started
T12 >> 1462283343.90552902 vbar (10.12186s) started
T12 << 1462283343.93277693 vbar (10.14911s) stopped
T12 >> 1462283343.93288493 XC 3D grid (10505.93085s) started
T12 >> 1462283344.44808602 van der Waals (10150.48152s) started
T12 >> 1462283344.56086302 semilocal (2140.38009s) started
T12 << 1462283350.28152299 semilocal (2146.10075s) stopped
T12 >> 1462283350.35700989 redistribute (1093.28797s) started
T12 << 1462283351.41395211 redistribute (1094.34491s) stopped
T12 >> 1462283351.41400194 libvdwxc nonlocal (6845.99232s) started
T12 << 1462283369.37632799 libvdwxc nonlocal (6863.95464s) stopped
T12 >> 1462283369.37641001 redistribute (1094.34495s) started
T12 << 1462283371.38901591 redistribute (1096.35755s) stopped
T12 << 1462283371.39026308 van der Waals (10177.42369s) stopped
T12 << 1462283371.85277700 XC 3D grid (10533.85075s) stopped
T12 >> 1462283371.85284400 Poisson (2324.37449s) started
T12 << 1462283376.17282200 Poisson (2328.69446s) stopped
T12 >> 1462283376.17293501 Hartree integrate/restrict (136.74026s) started
T12 << 1462283376.21096301 Hartree integrate/restrict (136.77829s) stopped
T12 >> 1462283376.21104288 Hartree integrate/restrict (136.77834s) started
T12 << 1462283376.53621411 Hartree integrate/restrict (137.10351s) stopped
T12 >> 1462283376.53629088 Atomic (886.27703s) started
T12 >> 1462283376.53804398 XC Correction (0.01226s) started
T12 << 1462283376.53805804 XC Correction (0.01228s) stopped
T12 << 1462283378.94499397 Atomic (888.68574s) stopped
T12 >> 1462283378.94511390 Communicate (3615.63768s) started
T12 << 1462283393.65063906 Communicate (3630.34320s) stopped
T12 << 1462283393.65067911 Hamiltonian (17528.98767s) stopped
T12 >> 1462283393.65070605 LCAO eigensolver (25328.95033s) started
T12 >> 1462283393.65071893 Potential matrix (381.84372s) started
T12 << 1462283394.61658812 Potential matrix (382.80959s) stopped
T12 >> 1462283394.61667895 DistributedAtomicCorrection (153.22235s) started
T12 << 1462283395.01069093 DistributedAtomicCorrection (153.61636s) stopped
T12 >> 1462283395.01074004 Distribute overlap matrix (2810.84450s) started
T12 >> 1462283395.01078200 blocked summation (1575.50727s) started
T12 << 1462283399.28120899 blocked summation (1579.77770s) stopped
T12 >> 1462283399.29046297 Scalapack redistribute (1231.44257s) started
T12 << 1462283402.64656305 Scalapack redistribute (1234.79867s) stopped
T12 << 1462283402.64667106 Distribute overlap matrix (2818.48043s) stopped
T12 >> 1462283402.65125608 Blacs Orbital Layouts (21288.47347s) started
T12 >> 1462283402.66027093 General diagonalize (21201.18565s) started
T12 << 1462283457.63407111 General diagonalize (21256.15945s) stopped
T12 >> 1462283457.63412404 Redistribute coefs (3.17563s) started
T12 << 1462283457.64220595 Redistribute coefs (3.18372s) stopped
T12 >> 1462283457.64226294 Send coefs to domains (80.54628s) started
T12 << 1462283458.30761290 Send coefs to domains (81.21163s) stopped
T12 << 1462283458.30811906 Blacs Orbital Layouts (21344.13033s) stopped
T12 >> 1462283458.30815005 Calculate projections (692.62275s) started
T12 << 1462283460.08829308 Calculate projections (694.40290s) stopped
T12 << 1462283460.08851004 LCAO eigensolver (25395.38813s) stopped
T12 >> 1462283463.27088308 Density (6099.49373s) started
T12 >> 1462283463.27089906 Pseudo density (4725.31321s) started
T12 >> 1462283463.27316403 Calculate density matrix (4440.99153s) started
T12 << 1462283475.07304001 Calculate density matrix (4452.79141s) stopped
T12 >> 1462283475.07309604 Construct density (276.82807s) started
T12 << 1462283475.82905006 Construct density (277.58402s) stopped
T12 >> 1462283475.84557509 Symmetrize density (0.03146s) started
T12 << 1462283475.84565091 Symmetrize density (0.03153s) stopped
T12 << 1462283475.84811997 Pseudo density (4737.89043s) stopped
T12 >> 1462283475.84818792 Atomic density matrices (1209.47203s) started
T12 << 1462283479.18286490 Atomic density matrices (1212.80671s) stopped
T12 >> 1462283479.18290305 Multipole moments (3.99828s) started
T12 << 1462283479.19653296 Multipole moments (4.01191s) stopped
T12 >> 1462283479.19656801 Normalize (2.53015s) started
T12 << 1462283479.20340610 Normalize (2.53699s) stopped
T12 >> 1462283479.20344996 Mix (158.15162s) started
T12 << 1462283479.74251890 Mix (158.69069s) stopped
T12 << 1462283479.74258709 Density (6115.96543s) stopped
T12 >> 1462283479.74261498 Hamiltonian (17528.98768s) started
T12 >> 1462283479.74263000 vbar (10.14917s) started
T12 << 1462283479.76475310 vbar (10.17129s) stopped
T12 >> 1462283479.76482201 XC 3D grid (10533.85080s) started
T12 >> 1462283480.20795989 van der Waals (10177.42372s) started
T12 >> 1462283480.31933904 semilocal (2146.10085s) started
T12 << 1462283486.13209605 semilocal (2151.91361s) stopped
T12 >> 1462283486.20803499 redistribute (1096.35760s) started
T12 << 1462283487.19039106 redistribute (1097.33995s) stopped
T12 >> 1462283487.19046402 libvdwxc nonlocal (6863.95471s) started
T12 << 1462283505.29083705 libvdwxc nonlocal (6882.05508s) stopped
T12 >> 1462283505.29090691 redistribute (1097.34001s) started
T12 << 1462283507.22281694 redistribute (1099.27192s) stopped
T12 << 1462283507.22393298 van der Waals (10204.43969s) stopped
T12 << 1462283507.69239998 XC 3D grid (10561.77838s) stopped
T12 >> 1462283507.69245696 Poisson (2328.69455s) started
T12 << 1462283510.62134695 Poisson (2331.62344s) stopped
T12 >> 1462283510.62146592 Hartree integrate/restrict (137.10355s) started
T12 << 1462283510.66113806 Hartree integrate/restrict (137.14322s) stopped
T12 >> 1462283510.66123700 Hartree integrate/restrict (137.14329s) started
T12 << 1462283511.01540899 Hartree integrate/restrict (137.49746s) stopped
T12 >> 1462283511.01550198 Atomic (888.68576s) started
T12 >> 1462283511.01724601 XC Correction (0.01229s) started
T12 << 1462283511.01726103 XC Correction (0.01230s) stopped
T12 << 1462283513.42351007 Atomic (891.09377s) stopped
T12 >> 1462283513.42361593 Communicate (3630.34323s) started
T12 << 1462283528.09438491 Communicate (3645.01400s) stopped
T12 << 1462283528.09442592 Hamiltonian (17577.33950s) stopped
T12 >> 1462283528.09445310 LCAO eigensolver (25395.38815s) started
T12 >> 1462283528.09446692 Potential matrix (382.80964s) started
T12 << 1462283529.06246400 Potential matrix (383.77763s) stopped
T12 >> 1462283529.06255698 DistributedAtomicCorrection (153.61640s) started
T12 << 1462283529.46212792 DistributedAtomicCorrection (154.01597s) stopped
T12 >> 1462283529.46217608 Distribute overlap matrix (2818.48044s) started
T12 >> 1462283529.46222305 blocked summation (1579.77773s) started
T12 << 1462283533.80755305 blocked summation (1584.12306s) stopped
T12 >> 1462283533.81710196 Scalapack redistribute (1234.79873s) started
T12 << 1462283537.07091808 Scalapack redistribute (1238.05255s) stopped
T12 << 1462283537.07102489 Distribute overlap matrix (2826.08929s) stopped
T12 >> 1462283537.07541704 Blacs Orbital Layouts (21344.13035s) started
T12 >> 1462283537.08471799 General diagonalize (21256.15950s) started
T12 << 1462283589.46507812 General diagonalize (21308.53986s) stopped
T12 >> 1462283589.46513009 Redistribute coefs (3.18376s) started
T12 << 1462283589.47326493 Redistribute coefs (3.19189s) stopped
T12 >> 1462283589.47331095 Send coefs to domains (81.21167s) started
T12 << 1462283589.61288691 Send coefs to domains (81.35125s) stopped
T12 << 1462283589.61326504 Blacs Orbital Layouts (21396.66820s) stopped
T12 >> 1462283589.61329508 Calculate projections (694.40295s) started
T12 << 1462283591.39214206 Calculate projections (696.18180s) stopped
T12 << 1462283591.39252806 LCAO eigensolver (25458.68623s) stopped
T12 >> 1462283594.58025408 Density (6115.96545s) started
T12 >> 1462283594.58026910 Pseudo density (4737.89048s) started
T12 >> 1462283594.58271003 Calculate density matrix (4452.79145s) started
T12 << 1462283606.38738608 Calculate density matrix (4464.59612s) stopped
T12 >> 1462283606.38744092 Construct density (277.58408s) started
T12 << 1462283607.14247489 Construct density (278.33911s) stopped
T12 >> 1462283607.15886402 Symmetrize density (0.03155s) started
T12 << 1462283607.15894103 Symmetrize density (0.03163s) stopped
T12 << 1462283607.16139507 Pseudo density (4750.47161s) stopped
T12 >> 1462283607.16146111 Atomic density matrices (1212.80674s) started
T12 << 1462283610.59441209 Atomic density matrices (1216.23969s) stopped
T12 >> 1462283610.59445000 Multipole moments (4.01192s) started
T12 << 1462283610.60823298 Multipole moments (4.02571s) stopped
T12 >> 1462283610.60826612 Normalize (2.53702s) started
T12 << 1462283610.61507010 Normalize (2.54382s) stopped
T12 >> 1462283610.61511397 Mix (158.69076s) started
T12 << 1462283611.05122995 Mix (159.12687s) stopped
T12 << 1462283611.05129290 Density (6132.43649s) stopped
T12 >> 1462283611.05132198 Hamiltonian (17577.33951s) started
T12 >> 1462283611.05137491 vbar (10.17132s) started
T12 << 1462283611.07857108 vbar (10.19852s) stopped
T12 >> 1462283611.07869411 XC 3D grid (10561.77842s) started
T12 >> 1462283611.55589008 van der Waals (10204.43972s) started
T12 >> 1462283611.67150593 semilocal (2151.91366s) started
T12 << 1462283617.41831899 semilocal (2157.66047s) stopped
T12 >> 1462283617.49155688 redistribute (1099.27198s) started
T12 << 1462283618.51414800 redistribute (1100.29458s) stopped
T12 >> 1462283618.51419902 libvdwxc nonlocal (6882.05513s) started
T12 << 1462283636.60595703 libvdwxc nonlocal (6900.14689s) stopped
T12 >> 1462283636.60600996 redistribute (1100.29461s) started
T12 << 1462283638.55505490 redistribute (1102.24366s) stopped
T12 << 1462283638.55591011 van der Waals (10231.43974s) stopped
T12 << 1462283639.01717496 XC 3D grid (10589.71690s) stopped
T12 >> 1462283639.01722097 Poisson (2331.62352s) started
T12 << 1462283643.32613397 Poisson (2335.93244s) stopped
T12 >> 1462283643.32621598 Hartree integrate/restrict (137.49751s) started
T12 << 1462283643.36518407 Hartree integrate/restrict (137.53647s) stopped
T12 >> 1462283643.36527205 Hartree integrate/restrict (137.53653s) started
T12 << 1462283643.72132397 Hartree integrate/restrict (137.89258s) stopped
T12 >> 1462283643.72139311 Atomic (891.09379s) started
T12 >> 1462283643.72312093 XC Correction (0.01232s) started
T12 << 1462283643.72315097 XC Correction (0.01235s) stopped
T12 << 1462283646.12561989 Atomic (893.49802s) stopped
T12 >> 1462283646.12571192 Communicate (3645.01403s) started
T12 << 1462283660.84240389 Communicate (3659.73072s) stopped
T12 << 1462283660.84244299 Hamiltonian (17627.13063s) stopped
T12 >> 1462283660.84246898 LCAO eigensolver (25458.68625s) started
T12 >> 1462283660.84248209 Potential matrix (383.77769s) started
T12 << 1462283661.79874206 Potential matrix (384.73395s) stopped
T12 >> 1462283661.79881692 DistributedAtomicCorrection (154.01601s) started
T12 << 1462283662.19416189 DistributedAtomicCorrection (154.41135s) stopped
T12 >> 1462283662.19423008 Distribute overlap matrix (2826.08931s) started
T12 >> 1462283662.19425201 blocked summation (1584.12312s) started
T12 << 1462283666.48446798 blocked summation (1588.41334s) stopped
T12 >> 1462283666.49494910 Scalapack redistribute (1238.05261s) started
T12 << 1462283669.88719797 Scalapack redistribute (1241.44486s) stopped
T12 << 1462283669.88727593 Distribute overlap matrix (2833.78235s) stopped
T12 >> 1462283669.89254403 Blacs Orbital Layouts (21396.66822s) started
T12 >> 1462283669.90129995 General diagonalize (21308.53990s) started
T12 << 1462283722.06996989 General diagonalize (21360.70857s) stopped
T12 >> 1462283722.07001591 Redistribute coefs (3.19193s) started
T12 << 1462283722.07726908 Redistribute coefs (3.19918s) stopped
T12 >> 1462283722.07734394 Send coefs to domains (81.35128s) started
T12 << 1462283722.18094110 Send coefs to domains (81.45488s) stopped
T12 << 1462283722.18137002 Blacs Orbital Layouts (21448.95705s) stopped
T12 >> 1462283722.18139791 Calculate projections (696.18186s) started
T12 << 1462283723.94895792 Calculate projections (697.94942s) stopped
T12 << 1462283723.94930005 LCAO eigensolver (25521.79308s) stopped
T12 << 1462283727.12429905 SCF-cycle (50554.91624s) stopped
T12 >> 1462283729.16947794 Force calculation (2038.34317s) started
T12 >> 1462283729.16954994 LCAO forces (2016.07644s) started
T12 >> 1462283729.16991401 Initial (0.00060s) started
T12 << 1462283729.16992497 Initial (0.00061s) stopped
T12 >> 1462283729.17646909 Get density matrix (1063.78891s) started
T12 << 1462283738.27761602 Get density matrix (1072.89006s) stopped
T12 >> 1462283738.27765703 Potential (160.43957s) started
T12 << 1462283744.33559990 Potential (166.49751s) stopped
T12 >> 1462283744.33565307 Get density matrix (1072.89009s) started
T12 << 1462283775.50046206 Get density matrix (1104.05490s) stopped
T12 >> 1462283775.50052190 Prepare TCI loop (56.00899s) started
T12 >> 1462283775.50103903 Get neighbors (50.85806s) started
T12 << 1462283777.34158206 Get neighbors (52.69861s) stopped
T12 >> 1462283777.34200907 broadcast dH (5.12170s) started
T12 << 1462283777.60469604 broadcast dH (5.38438s) stopped
T12 << 1462283777.60473800 Prepare TCI loop (58.11320s) stopped
T12 >> 1462283777.60475802 Not so complicated loop (3.11750s) started
T12 << 1462283777.71938801 Not so complicated loop (3.23213s) stopped
T12 >> 1462283777.83332300 Complicated loop (478.24775s) started
T12 << 1462283796.33616495 Complicated loop (496.75059s) stopped
T12 >> 1462283796.33787894 Wait for sum (251.20590s) started
T12 << 1462283806.37659597 Wait for sum (261.24461s) stopped
T12 << 1462283806.37663388 LCAO forces (2093.28352s) stopped
T12 << 1462283807.19252610 Force calculation (2116.36621s) stopped
T12 >> 1462283807.21050406 Initialization (3347.42648s) started
T12 << 1462283807.21067309 Initialization (3347.42665s) stopped
T12 >> 1462283807.21089506 Initialization (3347.42667s) started
T12 << 1462283807.21102810 Initialization (3347.42680s) stopped
T12 >> 1462283807.21116400 Initialization (3347.42681s) started
T12 << 1462283807.21129203 Initialization (3347.42694s) stopped
T12 >> 1462283827.49284697 Initialization (3347.42696s) started
T12 >> 1462283827.64081001 Basic WFS set positions (2.35463s) started
T12 >> 1462283827.64083409 Redistribute (0.01075s) started
T12 << 1462283827.64096808 Redistribute (0.01088s) stopped
T12 << 1462283827.72929502 Basic WFS set positions (2.44311s) stopped
T12 >> 1462283827.72931910 Basis functions set positions (48.37345s) started
T12 << 1462283829.57320404 Basis functions set positions (50.21734s) stopped
T12 >> 1462283829.57362890 TCI: Calculate S, T, P (407.20965s) started
T12 << 1462283844.75485992 TCI: Calculate S, T, P (422.39088s) stopped
T12 >> 1462283844.75491500 blocked summation (567.14718s) started
T12 << 1462283868.07034492 blocked summation (590.46261s) stopped
T12 >> 1462283868.08052611 Scalapack redistribute (219.97007s) started
T12 << 1462283878.77507997 Scalapack redistribute (230.66462s) stopped
T12 >> 1462283878.77610612 blocked summation (590.46265s) started
T12 << 1462283879.89699602 blocked summation (591.58354s) stopped
T12 >> 1462283879.90654206 Scalapack redistribute (230.66468s) started
T12 << 1462283880.10734510 Scalapack redistribute (230.86549s) stopped
T12 >> 1462283880.10902691 Redistribute (0.08421s) started
T12 << 1462283880.10953307 Redistribute (0.08472s) stopped
T12 >> 1462283881.89232802 Redistribute (0.08473s) started
T12 << 1462283881.89277911 Redistribute (0.08518s) stopped
T12 >> 1462283881.90764189 LCAO WFS Initialize (2047.02039s) started
T12 >> 1462283881.90768290 Density initialize from wavefunctions (384.10448s) started
T12 >> 1462283881.91359305 Calculate density matrix (266.89962s) started
T12 << 1462283891.74525189 Calculate density matrix (276.73128s) stopped
T12 >> 1462283891.74530101 Construct density (20.09189s) started
T12 << 1462283892.49509192 Construct density (20.84168s) stopped
T12 >> 1462283892.50933909 Symmetrize density (0.00213s) started
T12 << 1462283892.50940490 Symmetrize density (0.00219s) stopped
T12 << 1462283896.18741703 Density initialize from wavefunctions (398.38421s) stopped
T12 >> 1462283896.18771911 Hamiltonian (1661.99457s) started
T12 >> 1462283896.18773890 vbar (0.79343s) started
T12 << 1462283896.21197009 vbar (0.81767s) stopped
T12 >> 1462283896.21207094 XC 3D grid (804.22123s) started
T12 >> 1462283896.76902294 van der Waals (777.49865s) started
T12 >> 1462283896.87405205 semilocal (162.31846s) started
T12 << 1462283902.69036198 semilocal (168.13477s) stopped
T12 >> 1462283902.76405501 redistribute (92.82256s) started
T12 << 1462283903.72992706 redistribute (93.78844s) stopped
T12 >> 1462283903.72997499 libvdwxc nonlocal (516.99850s) started
T12 << 1462283922.17367005 libvdwxc nonlocal (535.44219s) stopped
T12 >> 1462283922.17373610 redistribute (93.78847s) started
T12 << 1462283924.94695807 redistribute (96.56169s) stopped
T12 << 1462283924.94796896 van der Waals (805.67759s) stopped
T12 << 1462283925.40960503 XC 3D grid (833.41876s) stopped
T12 >> 1462283925.40964603 Poisson (438.07538s) started
T12 << 1462283941.14877105 Poisson (453.81451s) stopped
T12 >> 1462283941.14884496 Hartree integrate/restrict (10.35292s) started
T12 << 1462283941.19250798 Hartree integrate/restrict (10.39658s) stopped
T12 >> 1462283941.19255400 Hartree integrate/restrict (10.39661s) started
T12 << 1462283941.51785493 Hartree integrate/restrict (10.72191s) stopped
T12 >> 1462283941.51793098 Atomic (66.05464s) started
T12 >> 1462283941.51988292 XC Correction (0.00112s) started
T12 << 1462283941.51989698 XC Correction (0.00114s) stopped
T12 << 1462283943.89264011 Atomic (68.42934s) stopped
T12 >> 1462283943.89281106 Communicate (342.45917s) started
T12 << 1462283960.62819505 Communicate (359.19455s) stopped
T12 << 1462283960.62823200 Hamiltonian (1726.43508s) stopped
T12 << 1462283960.62824702 LCAO WFS Initialize (2125.74099s) stopped
T12 << 1462283960.64035702 Initialization (3480.57447s) stopped
T12 >> 1462283960.66610003 SCF-cycle (50554.91626s) started
T12 >> 1462283960.66613603 LCAO eigensolver (25521.79309s) started
T12 >> 1462283960.66614795 Potential matrix (384.73399s) started
T12 << 1462283961.61971807 Potential matrix (385.68756s) stopped
T12 >> 1462283961.61980796 DistributedAtomicCorrection (154.41139s) started
T12 << 1462283962.01667809 DistributedAtomicCorrection (154.80826s) stopped
T12 >> 1462283962.01672602 Distribute overlap matrix (2833.78237s) started
T12 >> 1462283962.01676607 blocked summation (1588.41337s) started
T12 << 1462283966.25385904 blocked summation (1592.65046s) stopped
T12 >> 1462283966.26353598 Scalapack redistribute (1241.44490s) started
T12 << 1462283969.69479489 Scalapack redistribute (1244.87616s) stopped
T12 << 1462283969.69488811 Distribute overlap matrix (2841.46053s) stopped
T12 >> 1462283969.69896007 Blacs Orbital Layouts (21448.95707s) started
T12 >> 1462283969.70759606 General diagonalize (21360.70861s) started
T12 << 1462284026.57703090 General diagonalize (21417.57804s) stopped
T12 >> 1462284026.57709408 Redistribute coefs (3.19924s) started
T12 << 1462284026.58532405 Redistribute coefs (3.20747s) stopped
T12 >> 1462284026.58536792 Send coefs to domains (81.45491s) started
T12 << 1462284026.69866204 Send coefs to domains (81.56821s) stopped
T12 << 1462284026.69902396 Blacs Orbital Layouts (21505.95713s) stopped
T12 >> 1462284026.69905090 Calculate projections (697.94947s) started
T12 << 1462284028.46306992 Calculate projections (699.71349s) stopped
T12 << 1462284028.46325898 LCAO eigensolver (25589.59022s) stopped
T12 >> 1462284031.65705705 Density (6132.43650s) started
T12 >> 1462284031.65707207 Pseudo density (4750.47166s) started
T12 >> 1462284031.65983391 Calculate density matrix (4464.59616s) started
T12 << 1462284043.54599190 Calculate density matrix (4476.48232s) stopped
T12 >> 1462284043.54604006 Construct density (278.33917s) started
T12 << 1462284044.29910493 Construct density (279.09223s) stopped
T12 >> 1462284044.31325197 Symmetrize density (0.03164s) started
T12 << 1462284044.31331801 Symmetrize density (0.03171s) stopped
T12 << 1462284044.31529403 Pseudo density (4763.12988s) stopped
T12 >> 1462284044.31535506 Atomic density matrices (1216.23972s) started
T12 << 1462284047.63597202 Atomic density matrices (1219.56034s) stopped
T12 >> 1462284047.63600397 Multipole moments (4.02572s) started
T12 << 1462284047.64887810 Multipole moments (4.03860s) stopped
T12 >> 1462284047.64890194 Normalize (2.54386s) started
T12 << 1462284047.65493393 Normalize (2.54989s) stopped
T12 >> 1462284047.65504599 Mix (159.12693s) started
T12 << 1462284048.00664401 Mix (159.47853s) stopped
T12 << 1462284048.00672889 Density (6148.78617s) stopped
T12 >> 1462284048.00675988 Hamiltonian (17627.13064s) started
T12 >> 1462284048.00677609 vbar (10.19858s) started
T12 << 1462284048.03082204 vbar (10.22262s) stopped
T12 >> 1462284048.03090692 XC 3D grid (10589.71694s) started
T12 >> 1462284048.55112004 van der Waals (10231.43977s) started
T12 >> 1462284048.65472007 semilocal (2157.66058s) started
T12 << 1462284054.39022708 semilocal (2163.39609s) stopped
T12 >> 1462284054.47627592 redistribute (1102.24370s) started
T12 << 1462284055.54138303 redistribute (1103.30880s) stopped
T12 >> 1462284055.54142499 libvdwxc nonlocal (6900.14693s) started
T12 << 1462284073.95734596 libvdwxc nonlocal (6918.56285s) stopped
T12 >> 1462284073.95739603 redistribute (1103.30884s) started
T12 << 1462284075.74526000 redistribute (1105.09670s) stopped
T12 << 1462284075.74644995 van der Waals (10258.63510s) stopped
T12 << 1462284076.21296000 XC 3D grid (10617.89899s) stopped
T12 >> 1462284076.21300197 Poisson (2335.93250s) started
T12 << 1462284080.72170997 Poisson (2340.44120s) stopped
T12 >> 1462284080.72177505 Hartree integrate/restrict (137.89261s) started
T12 << 1462284080.76554704 Hartree integrate/restrict (137.93638s) stopped
T12 >> 1462284080.76561809 Hartree integrate/restrict (137.93643s) started
T12 << 1462284081.10274911 Hartree integrate/restrict (138.27356s) stopped
T12 >> 1462284081.10282111 Atomic (893.49804s) started
T12 >> 1462284081.10458994 XC Correction (0.01236s) started
T12 << 1462284081.10460496 XC Correction (0.01237s) stopped
T12 << 1462284083.47049904 Atomic (895.86572s) stopped
T12 >> 1462284083.47067404 Communicate (3659.73075s) started
T12 << 1462284100.24634194 Communicate (3676.50641s) stopped
T12 << 1462284100.24638009 Hamiltonian (17679.37026s) stopped
T12 >> 1462284100.24640489 LCAO eigensolver (25589.59024s) started
T12 >> 1462284100.24641800 Potential matrix (385.68761s) started
T12 << 1462284101.21672702 Potential matrix (386.65792s) stopped
T12 >> 1462284101.21681809 DistributedAtomicCorrection (154.80830s) started
T12 << 1462284101.61091590 DistributedAtomicCorrection (155.20240s) stopped
T12 >> 1462284101.61096406 Distribute overlap matrix (2841.46054s) started
T12 >> 1462284101.61100411 blocked summation (1592.65049s) started
T12 << 1462284105.87992191 blocked summation (1596.91941s) stopped
T12 >> 1462284105.88976908 Scalapack redistribute (1244.87621s) started
T12 << 1462284109.36943197 Scalapack redistribute (1248.35588s) stopped
T12 << 1462284109.36952209 Distribute overlap matrix (2849.21910s) stopped
T12 >> 1462284109.37359309 Blacs Orbital Layouts (21505.95715s) started
T12 >> 1462284109.38256502 General diagonalize (21417.57809s) started
T12 << 1462284165.65857601 General diagonalize (21473.85410s) stopped
T12 >> 1462284165.65862203 Redistribute coefs (3.20751s) started
T12 << 1462284165.66686797 Redistribute coefs (3.21575s) stopped
T12 >> 1462284165.66690993 Send coefs to domains (81.56824s) started
T12 << 1462284165.77005601 Send coefs to domains (81.67139s) stopped
T12 << 1462284165.77043700 Blacs Orbital Layouts (21562.35399s) stopped
T12 >> 1462284165.77046609 Calculate projections (699.71354s) started
T12 << 1462284167.53555012 Calculate projections (701.47862s) stopped
T12 << 1462284167.53592706 LCAO eigensolver (25656.87976s) stopped
T12 >> 1462284170.70918298 Density (6148.78619s) started
T12 >> 1462284170.70919704 Pseudo density (4763.12993s) started
T12 >> 1462284170.71173501 Calculate density matrix (4476.48236s) started
T12 << 1462284183.01393390 Calculate density matrix (4488.78456s) stopped
T12 >> 1462284183.01398492 Construct density (279.09228s) started
T12 << 1462284183.76732492 Construct density (279.84562s) stopped
T12 >> 1462284183.78118801 Symmetrize density (0.03173s) started
T12 << 1462284183.78125906 Symmetrize density (0.03180s) stopped
T12 << 1462284183.78325009 Pseudo density (4776.20398s) stopped
T12 >> 1462284183.78330994 Atomic density matrices (1219.56036s) started
T12 << 1462284187.09463000 Atomic density matrices (1222.87168s) stopped
T12 >> 1462284187.09466100 Multipole moments (4.03861s) started
T12 << 1462284187.10830212 Multipole moments (4.05225s) stopped
T12 >> 1462284187.10832596 Normalize (2.54998s) started
T12 << 1462284187.11444807 Normalize (2.55611s) stopped
T12 >> 1462284187.11450410 Mix (159.47862s) started
T12 << 1462284187.48775411 Mix (159.85187s) stopped
T12 << 1462284187.48785400 Density (6165.56486s) stopped
T12 >> 1462284187.48789096 Hamiltonian (17679.37028s) started
T12 >> 1462284187.48790908 vbar (10.22268s) started
T12 << 1462284187.51173902 vbar (10.24651s) stopped
T12 >> 1462284187.51183796 XC 3D grid (10617.89902s) started
T12 >> 1462284188.02227807 van der Waals (10258.63513s) started
T12 >> 1462284188.12517810 semilocal (2163.39622s) started
T12 << 1462284193.89883089 semilocal (2169.16987s) stopped
T12 >> 1462284193.97425199 redistribute (1105.09673s) started
T12 << 1462284194.99230289 redistribute (1106.11478s) stopped
T12 >> 1462284194.99234796 libvdwxc nonlocal (6918.56289s) started
T12 << 1462284213.65885496 libvdwxc nonlocal (6937.22939s) stopped
T12 >> 1462284213.65890789 redistribute (1106.11482s) started
T12 << 1462284215.44685888 redistribute (1107.90277s) stopped
T12 << 1462284215.44804502 van der Waals (10286.06089s) stopped
T12 << 1462284215.91253591 XC 3D grid (10646.29972s) stopped
T12 >> 1462284215.91257906 Poisson (2340.44125s) started
T12 << 1462284228.90160990 Poisson (2353.43028s) stopped
T12 >> 1462284228.90176892 Hartree integrate/restrict (138.27359s) started
T12 << 1462284228.94530201 Hartree integrate/restrict (138.31712s) stopped
T12 >> 1462284228.94537807 Hartree integrate/restrict (138.31718s) started
T12 << 1462284229.27127194 Hartree integrate/restrict (138.64307s) stopped
T12 >> 1462284229.27136493 Atomic (895.86575s) started
T12 >> 1462284229.27306795 XC Correction (0.01238s) started
T12 << 1462284229.27308512 XC Correction (0.01240s) stopped
T12 << 1462284231.64351702 Atomic (898.23790s) stopped
T12 >> 1462284231.64368296 Communicate (3676.50644s) started
T12 << 1462284248.44300008 Communicate (3693.30576s) stopped
T12 << 1462284248.44303393 Hamiltonian (17740.32542s) stopped
T12 >> 1462284248.44305801 LCAO eigensolver (25656.87978s) started
T12 >> 1462284248.44307089 Potential matrix (386.65797s) started
T12 << 1462284249.39773202 Potential matrix (387.61263s) stopped
T12 >> 1462284249.39780402 DistributedAtomicCorrection (155.20244s) started
T12 << 1462284249.79127002 DistributedAtomicCorrection (155.59590s) stopped
T12 >> 1462284249.79131699 Distribute overlap matrix (2849.21911s) started
T12 >> 1462284249.79135609 blocked summation (1596.91944s) started
T12 << 1462284254.06488895 blocked summation (1601.19297s) stopped
T12 >> 1462284254.07466006 Scalapack redistribute (1248.35593s) started
T12 << 1462284257.58119297 Scalapack redistribute (1251.86247s) stopped
T12 << 1462284257.58126307 Distribute overlap matrix (2857.00906s) stopped
T12 >> 1462284257.58632112 Blacs Orbital Layouts (21562.35401s) started
T12 >> 1462284257.59548807 General diagonalize (21473.85414s) started
T12 << 1462284312.24592090 General diagonalize (21528.50457s) stopped
T12 >> 1462284312.24599600 Redistribute coefs (3.21579s) started
T12 << 1462284312.25438690 Redistribute coefs (3.22418s) stopped
T12 >> 1462284312.25444889 Send coefs to domains (81.67142s) started
T12 << 1462284312.34766603 Send coefs to domains (81.76464s) stopped
T12 << 1462284312.34802198 Blacs Orbital Layouts (21617.11571s) stopped
T12 >> 1462284312.34805107 Calculate projections (701.47867s) started
T12 << 1462284314.11190104 Calculate projections (703.24252s) stopped
T12 << 1462284314.11224389 LCAO eigensolver (25722.54896s) stopped
T12 >> 1462284317.30938005 Density (6165.56488s) started
T12 >> 1462284317.30939507 Pseudo density (4776.20403s) started
T12 >> 1462284317.31223702 Calculate density matrix (4488.78459s) started
T12 << 1462284329.15435696 Calculate density matrix (4500.62671s) stopped
T12 >> 1462284329.15440702 Construct density (279.84568s) started
T12 << 1462284329.90769291 Construct density (280.59896s) stopped
T12 >> 1462284329.92248297 Symmetrize density (0.03181s) started
T12 << 1462284329.92254996 Symmetrize density (0.03188s) stopped
T12 << 1462284329.92458200 Pseudo density (4788.81922s) stopped
T12 >> 1462284329.92463994 Atomic density matrices (1222.87170s) started
T12 << 1462284333.30403090 Atomic density matrices (1226.25110s) stopped
T12 >> 1462284333.30406308 Multipole moments (4.05227s) started
T12 << 1462284333.31765199 Multipole moments (4.06586s) stopped
T12 >> 1462284333.31767607 Normalize (2.55615s) started
T12 << 1462284333.32446289 Normalize (2.56293s) stopped
T12 >> 1462284333.32455993 Mix (159.85196s) started
T12 << 1462284333.72354388 Mix (160.25095s) stopped
T12 << 1462284333.72362804 Density (6181.97912s) stopped
T12 >> 1462284333.72365904 Hamiltonian (17740.32543s) started
T12 >> 1462284333.72367597 vbar (10.24658s) started
T12 << 1462284333.74733400 vbar (10.27023s) stopped
T12 >> 1462284333.74743009 XC 3D grid (10646.29976s) started
T12 >> 1462284334.33469200 van der Waals (10286.06093s) started
T12 >> 1462284334.43242407 semilocal (2169.16997s) started
T12 << 1462284340.15781689 semilocal (2174.89537s) stopped
T12 >> 1462284340.24957800 redistribute (1107.90281s) started
T12 << 1462284341.32084703 redistribute (1108.97408s) stopped
T12 >> 1462284341.32091904 libvdwxc nonlocal (6937.22944s) started
T12 << 1462284359.72556496 libvdwxc nonlocal (6955.63408s) stopped
T12 >> 1462284359.72560596 redistribute (1108.97413s) started
T12 << 1462284361.42750812 redistribute (1110.67603s) stopped
T12 << 1462284361.42857003 van der Waals (10313.15481s) stopped
T12 << 1462284361.89049292 XC 3D grid (10674.44282s) stopped
T12 >> 1462284361.89055610 Poisson (2353.43041s) started
T12 << 1462284364.80414200 Poisson (2356.34400s) stopped
T12 >> 1462284364.80425692 Hartree integrate/restrict (138.64312s) started
T12 << 1462284364.84857297 Hartree integrate/restrict (138.68743s) stopped
T12 >> 1462284364.84861708 Hartree integrate/restrict (138.68746s) started
T12 << 1462284365.15769196 Hartree integrate/restrict (138.99654s) stopped
T12 >> 1462284365.15778995 Atomic (898.23792s) started
T12 >> 1462284365.15947509 XC Correction (0.01241s) started
T12 << 1462284365.15949011 XC Correction (0.01243s) stopped
T12 << 1462284367.53991389 Atomic (900.62005s) stopped
T12 >> 1462284367.54007006 Communicate (3693.30578s) started
T12 << 1462284383.84042692 Communicate (3709.60614s) stopped
T12 << 1462284383.84045911 Hamiltonian (17790.44223s) stopped
T12 >> 1462284383.84048200 LCAO eigensolver (25722.54898s) started
T12 >> 1462284383.84049511 Potential matrix (387.61267s) started
T12 << 1462284384.79918408 Potential matrix (388.57136s) stopped
T12 >> 1462284384.79927111 DistributedAtomicCorrection (155.59594s) started
T12 << 1462284385.19513512 DistributedAtomicCorrection (155.99181s) stopped
T12 >> 1462284385.19518089 Distribute overlap matrix (2857.00907s) started
T12 >> 1462284385.19522095 blocked summation (1601.19300s) started
T12 << 1462284389.42482710 blocked summation (1605.42261s) stopped
T12 >> 1462284389.43360496 Scalapack redistribute (1251.86250s) started
T12 << 1462284392.98987007 Scalapack redistribute (1255.41877s) stopped
T12 << 1462284392.98995805 Distribute overlap matrix (2864.80385s) stopped
T12 >> 1462284392.99424291 Blacs Orbital Layouts (21617.11573s) started
T12 >> 1462284393.00311089 General diagonalize (21528.50464s) started
T12 << 1462284448.69826007 General diagonalize (21584.19979s) stopped
T12 >> 1462284448.69832706 Redistribute coefs (3.22423s) started
T12 << 1462284448.70653605 Redistribute coefs (3.23244s) stopped
T12 >> 1462284448.70657706 Send coefs to domains (81.76467s) started
T12 << 1462284448.80637503 Send coefs to domains (81.86447s) stopped
T12 << 1462284448.80681801 Blacs Orbital Layouts (21672.92831s) stopped
T12 >> 1462284448.80684590 Calculate projections (703.24257s) started
T12 << 1462284450.57135701 Calculate projections (705.00708s) stopped
T12 << 1462284450.57154894 LCAO eigensolver (25789.28005s) stopped
T12 >> 1462284453.74627995 Density (6181.97914s) started
T12 >> 1462284453.74629593 Pseudo density (4788.81927s) started
T12 >> 1462284453.74861908 Calculate density matrix (4500.62675s) started
T12 << 1462284465.59754109 Calculate density matrix (4512.47567s) stopped
T12 >> 1462284465.59758902 Construct density (280.59901s) started
T12 << 1462284466.34975791 Construct density (281.35118s) stopped
T12 >> 1462284466.36387300 Symmetrize density (0.03190s) started
T12 << 1462284466.36393809 Symmetrize density (0.03196s) stopped
T12 << 1462284466.36594510 Pseudo density (4801.43892s) stopped
T12 >> 1462284466.36600304 Atomic density matrices (1226.25112s) started
T12 << 1462284469.75592089 Atomic density matrices (1229.64104s) stopped
T12 >> 1462284469.75595188 Multipole moments (4.06587s) started
T12 << 1462284469.76951194 Multipole moments (4.07943s) stopped
T12 >> 1462284469.76954293 Normalize (2.56301s) started
T12 << 1462284469.77564597 Normalize (2.56911s) stopped
T12 >> 1462284469.77569509 Mix (160.25103s) started
T12 << 1462284470.17873597 Mix (160.65407s) stopped
T12 << 1462284470.17881393 Density (6198.41167s) stopped
T12 >> 1462284470.17884803 Hamiltonian (17790.44225s) started
T12 >> 1462284470.17886400 vbar (10.27029s) started
T12 << 1462284470.20242190 vbar (10.29385s) stopped
T12 >> 1462284470.20252895 XC 3D grid (10674.44287s) started
T12 >> 1462284470.73709202 van der Waals (10313.15483s) started
T12 >> 1462284470.83975291 semilocal (2174.89546s) started
T12 << 1462284476.61134696 semilocal (2180.66705s) stopped
T12 >> 1462284476.68822598 redistribute (1110.67608s) started
T12 << 1462284477.70133495 redistribute (1111.68919s) stopped
T12 >> 1462284477.70139790 libvdwxc nonlocal (6955.63411s) started
T12 << 1462284496.24735808 libvdwxc nonlocal (6974.18007s) stopped
T12 >> 1462284496.24741793 redistribute (1111.68924s) started
T12 << 1462284497.91395307 redistribute (1113.35578s) stopped
T12 << 1462284497.91482711 van der Waals (10340.33257s) stopped
T12 << 1462284498.37469101 XC 3D grid (10702.61503s) stopped
T12 >> 1462284498.37474990 Poisson (2356.34409s) started
T12 << 1462284507.02790999 Poisson (2364.99725s) stopped
T12 >> 1462284507.02802801 Hartree integrate/restrict (138.99659s) started
T12 << 1462284507.07659888 Hartree integrate/restrict (139.04516s) stopped
T12 >> 1462284507.07665205 Hartree integrate/restrict (139.04519s) started
T12 << 1462284507.42289710 Hartree integrate/restrict (139.39144s) stopped
T12 >> 1462284507.42298293 Atomic (900.62007s) started
T12 >> 1462284507.42474794 XC Correction (0.01244s) started
T12 << 1462284507.42476606 XC Correction (0.01246s) stopped
T12 << 1462284509.80991006 Atomic (903.00700s) stopped
T12 >> 1462284509.81005406 Communicate (3709.60616s) started
T12 << 1462284525.19802189 Communicate (3724.99413s) stopped
T12 << 1462284525.19808888 Hamiltonian (17845.46149s) stopped
T12 >> 1462284525.19811511 LCAO eigensolver (25789.28007s) started
T12 >> 1462284525.19812799 Potential matrix (388.57141s) started
T12 << 1462284526.16577411 Potential matrix (389.53906s) stopped
T12 >> 1462284526.16586208 DistributedAtomicCorrection (155.99184s) started
T12 << 1462284526.56554699 DistributedAtomicCorrection (156.39153s) stopped
T12 >> 1462284526.56559300 Distribute overlap matrix (2864.80386s) started
T12 >> 1462284526.56563306 blocked summation (1605.42264s) started
T12 << 1462284530.90256596 blocked summation (1609.75957s) stopped
T12 >> 1462284530.91212797 Scalapack redistribute (1255.41882s) started
T12 << 1462284534.35142207 Scalapack redistribute (1258.85812s) stopped
T12 << 1462284534.35152292 Distribute overlap matrix (2872.58979s) stopped
T12 >> 1462284534.35589695 Blacs Orbital Layouts (21672.92833s) started
T12 >> 1462284534.36472893 General diagonalize (21584.19985s) started
T12 << 1462284589.70200300 General diagonalize (21639.53712s) stopped
T12 >> 1462284589.70205092 Redistribute coefs (3.23247s) started
T12 << 1462284589.71050406 Redistribute coefs (3.24092s) stopped
T12 >> 1462284589.71056795 Send coefs to domains (81.86450s) started
T12 << 1462284589.83879304 Send coefs to domains (81.99272s) stopped
T12 << 1462284589.83937001 Blacs Orbital Layouts (21728.41180s) stopped
T12 >> 1462284589.83939791 Calculate projections (705.00713s) started
T12 << 1462284591.60801196 Calculate projections (706.77575s) stopped
T12 << 1462284591.60835505 LCAO eigensolver (25855.69031s) stopped
T12 >> 1462284594.79040599 Density (6198.41169s) started
T12 >> 1462284594.79042196 Pseudo density (4801.43896s) started
T12 >> 1462284594.79301190 Calculate density matrix (4512.47570s) started
T12 << 1462284606.73156595 Calculate density matrix (4524.41426s) stopped
T12 >> 1462284606.73161507 Construct density (281.35124s) started
T12 << 1462284607.48492599 Construct density (282.10455s) stopped
T12 >> 1462284607.49956489 Symmetrize density (0.03198s) started
T12 << 1462284607.49962902 Symmetrize density (0.03204s) stopped
T12 << 1462284607.50165009 Pseudo density (4814.15019s) stopped
T12 >> 1462284607.50170994 Atomic density matrices (1229.64106s) started
T12 << 1462284610.88383293 Atomic density matrices (1233.02319s) stopped
T12 >> 1462284610.88386393 Multipole moments (4.07945s) started
T12 << 1462284610.89684296 Multipole moments (4.09243s) stopped
T12 >> 1462284610.89687300 Normalize (2.56915s) started
T12 << 1462284610.90301108 Normalize (2.57529s) stopped
T12 >> 1462284610.90312099 Mix (160.65415s) started
T12 << 1462284611.31890011 Mix (161.06992s) stopped
T12 << 1462284611.31895494 Density (6214.94024s) stopped
T12 >> 1462284611.31898403 Hamiltonian (17845.46150s) started
T12 >> 1462284611.31900001 vbar (10.29391s) started
T12 << 1462284611.34134007 vbar (10.31625s) stopped
T12 >> 1462284611.34144211 XC 3D grid (10702.61508s) started
T12 >> 1462284611.89511204 van der Waals (10340.33259s) started
T12 >> 1462284612.00001192 semilocal (2180.66716s) started
T12 << 1462284617.76007009 semilocal (2186.42722s) stopped
T12 >> 1462284617.84111309 redistribute (1113.35583s) started
T12 << 1462284618.86793494 redistribute (1114.38265s) stopped
T12 >> 1462284618.86797690 libvdwxc nonlocal (6974.18012s) started
T12 << 1462284637.21126294 libvdwxc nonlocal (6992.52341s) stopped
T12 >> 1462284637.21132493 redistribute (1114.38268s) started
T12 << 1462284638.90050197 redistribute (1116.07186s) stopped
T12 << 1462284638.90131998 van der Waals (10367.33880s) stopped
T12 << 1462284639.36400104 XC 3D grid (10730.63764s) stopped
T12 >> 1462284639.36406112 Poisson (2364.99734s) started
T12 << 1462284643.69305396 Poisson (2369.32633s) stopped
T12 >> 1462284643.69318604 Hartree integrate/restrict (139.39147s) started
T12 << 1462284643.73696089 Hartree integrate/restrict (139.43525s) stopped
T12 >> 1462284643.73706603 Hartree integrate/restrict (139.43532s) started
T12 << 1462284644.05711699 Hartree integrate/restrict (139.75537s) stopped
T12 >> 1462284644.05718493 Atomic (903.00702s) started
T12 >> 1462284644.05886006 XC Correction (0.01247s) started
T12 << 1462284644.05887508 XC Correction (0.01248s) stopped
T12 << 1462284646.46210909 Atomic (905.41194s) stopped
T12 >> 1462284646.46225691 Communicate (3724.99415s) started
T12 << 1462284661.51083207 Communicate (3740.04273s) stopped
T12 << 1462284661.51087189 Hamiltonian (17895.65339s) stopped
T12 >> 1462284661.51089811 LCAO eigensolver (25855.69033s) started
T12 >> 1462284661.51091099 Potential matrix (389.53911s) started
T12 << 1462284662.46929502 Potential matrix (390.49750s) stopped
T12 >> 1462284662.46936703 DistributedAtomicCorrection (156.39157s) started
T12 << 1462284662.86667800 DistributedAtomicCorrection (156.78888s) stopped
T12 >> 1462284662.86672401 Distribute overlap matrix (2872.58980s) started
T12 >> 1462284662.86676407 blocked summation (1609.75960s) started
T12 << 1462284667.13836598 blocked summation (1614.03121s) stopped
T12 >> 1462284667.14830589 Scalapack redistribute (1258.85818s) started
T12 << 1462284670.67311192 Scalapack redistribute (1262.38299s) stopped
T12 << 1462284670.67320800 Distribute overlap matrix (2880.39628s) stopped
T12 >> 1462284670.67742205 Blacs Orbital Layouts (21728.41182s) started
T12 >> 1462284670.68626094 General diagonalize (21639.53716s) started
T12 << 1462284725.84428692 General diagonalize (21694.69519s) stopped
T12 >> 1462284725.84433508 Redistribute coefs (3.24097s) started
T12 << 1462284725.85280800 Redistribute coefs (3.24945s) stopped
T12 >> 1462284725.85285091 Send coefs to domains (81.99276s) started
T12 << 1462284725.96419191 Send coefs to domains (82.10410s) stopped
T12 << 1462284725.96473503 Blacs Orbital Layouts (21783.69913s) stopped
T12 >> 1462284725.96476197 Calculate projections (706.77580s) started
T12 << 1462284727.72929192 Calculate projections (708.54033s) stopped
T12 << 1462284727.72947502 LCAO eigensolver (25921.90890s) stopped
T12 >> 1462284730.92895603 Density (6214.94025s) started
T12 >> 1462284730.92897105 Pseudo density (4814.15024s) started
T12 >> 1462284730.93228698 Calculate density matrix (4524.41429s) started
T12 << 1462284742.77419591 Calculate density matrix (4536.25620s) stopped
T12 >> 1462284742.77424407 Construct density (282.10460s) started
T12 << 1462284743.52692604 Construct density (282.85729s) stopped
T12 >> 1462284743.54081202 Symmetrize density (0.03206s) started
T12 << 1462284743.54087591 Symmetrize density (0.03212s) stopped
T12 << 1462284743.54290605 Pseudo density (4826.76417s) stopped
T12 >> 1462284743.54296494 Atomic density matrices (1233.02321s) started
T12 << 1462284746.91029406 Atomic density matrices (1236.39054s) stopped
T12 >> 1462284746.91032696 Multipole moments (4.09244s) started
T12 << 1462284746.92382002 Multipole moments (4.10594s) stopped
T12 >> 1462284746.92385197 Normalize (2.57538s) started
T12 << 1462284746.92995191 Normalize (2.58148s) stopped
T12 >> 1462284746.93005204 Mix (161.06998s) started
T12 << 1462284747.33981490 Mix (161.47974s) stopped
T12 << 1462284747.33990312 Density (6231.35120s) stopped
T12 >> 1462284747.33994007 Hamiltonian (17895.65340s) started
T12 >> 1462284747.33995605 vbar (10.31631s) started
T12 << 1462284747.36533093 vbar (10.34169s) stopped
T12 >> 1462284747.36544490 XC 3D grid (10730.63769s) started
T12 >> 1462284747.89512610 van der Waals (10367.33882s) started
T12 >> 1462284747.99790907 semilocal (2186.42733s) started
T12 << 1462284753.74587297 semilocal (2192.17529s) stopped
T12 >> 1462284753.82821488 redistribute (1116.07192s) started
T12 << 1462284754.85735512 redistribute (1117.10106s) stopped
T12 >> 1462284754.85739803 libvdwxc nonlocal (6992.52345s) started
T12 << 1462284773.20995307 libvdwxc nonlocal (7010.87601s) stopped
T12 >> 1462284773.21001697 redistribute (1117.10109s) started
T12 << 1462284775.78039694 redistribute (1119.67147s) stopped
T12 << 1462284775.78158212 van der Waals (10395.22528s) stopped
T12 << 1462284776.24292111 XC 3D grid (10759.51516s) stopped
T12 >> 1462284776.24296308 Poisson (2369.32643s) started
T12 << 1462284782.00344706 Poisson (2375.08692s) stopped
T12 >> 1462284782.00352693 Hartree integrate/restrict (139.75540s) started
T12 << 1462284782.04756808 Hartree integrate/restrict (139.79944s) stopped
T12 >> 1462284782.04763889 Hartree integrate/restrict (139.79949s) started
T12 << 1462284782.36590791 Hartree integrate/restrict (140.11776s) stopped
T12 >> 1462284782.36600304 Atomic (905.41197s) started
T12 >> 1462284782.36772609 XC Correction (0.01249s) started
T12 << 1462284782.36773992 XC Correction (0.01251s) stopped
T12 << 1462284784.76848412 Atomic (907.81445s) stopped
T12 >> 1462284784.76862001 Communicate (3740.04275s) started
T12 << 1462284799.72192192 Communicate (3754.99606s) stopped
T12 << 1462284799.72195911 Hamiltonian (17948.03542s) stopped
T12 >> 1462284799.72198296 LCAO eigensolver (25921.90895s) started
T12 >> 1462284799.72199607 Potential matrix (390.49754s) started
T12 << 1462284800.68735099 Potential matrix (391.46290s) stopped
T12 >> 1462284800.68742204 DistributedAtomicCorrection (156.78892s) started
T12 << 1462284801.08540511 DistributedAtomicCorrection (157.18690s) stopped
T12 >> 1462284801.08545208 Distribute overlap matrix (2880.39630s) started
T12 >> 1462284801.08549094 blocked summation (1614.03124s) started
T12 << 1462284805.51730394 blocked summation (1618.46305s) stopped
T12 >> 1462284805.52619100 Scalapack redistribute (1262.38305s) started
T12 << 1462284808.79272008 Scalapack redistribute (1265.64958s) stopped
T12 << 1462284808.79279995 Distribute overlap matrix (2888.10364s) stopped
T12 >> 1462284808.79695106 Blacs Orbital Layouts (21783.69915s) started
T12 >> 1462284808.80550194 General diagonalize (21694.69523s) started
T12 << 1462284862.12006688 General diagonalize (21748.00979s) stopped
T12 >> 1462284862.12013197 Redistribute coefs (3.24948s) started
T12 << 1462284862.12860203 Redistribute coefs (3.25795s) stopped
T12 >> 1462284862.12864304 Send coefs to domains (82.10413s) started
T12 << 1462284862.23567104 Send coefs to domains (82.21116s) stopped
T12 << 1462284862.23609400 Blacs Orbital Layouts (21837.13830s) stopped
T12 >> 1462284862.23612189 Calculate projections (708.54038s) started
T12 << 1462284864.00007391 Calculate projections (710.30433s) stopped
T12 << 1462284864.00025606 LCAO eigensolver (25986.18722s) stopped
T12 >> 1462284867.19809008 Density (6231.35121s) started
T12 >> 1462284867.19810605 Pseudo density (4826.76422s) started
T12 >> 1462284867.20104790 Calculate density matrix (4536.25623s) started
T12 << 1462284879.04507899 Calculate density matrix (4548.10026s) stopped
T12 >> 1462284879.04512596 Construct density (282.85734s) started
T12 << 1462284879.79776406 Construct density (283.60998s) stopped
T12 >> 1462284879.81201005 Symmetrize density (0.03214s) started
T12 << 1462284879.81207299 Symmetrize density (0.03220s) stopped
T12 << 1462284879.81403899 Pseudo density (4839.38015s) stopped
T12 >> 1462284879.81409693 Atomic density matrices (1236.39056s) started
T12 << 1462284883.10610104 Atomic density matrices (1239.68257s) stopped
T12 >> 1462284883.10613489 Multipole moments (4.10595s) started
T12 << 1462284883.11968088 Multipole moments (4.11950s) stopped
T12 >> 1462284883.11971092 Normalize (2.58156s) started
T12 << 1462284883.12579989 Normalize (2.58765s) stopped
T12 >> 1462284883.12589407 Mix (161.47983s) started
T12 << 1462284883.53384089 Mix (161.88777s) stopped
T12 << 1462284883.53390503 Density (6247.68703s) stopped
T12 >> 1462284883.53393412 Hamiltonian (17948.03543s) started
T12 >> 1462284883.53394890 vbar (10.34175s) started
T12 << 1462284883.55720496 vbar (10.36501s) stopped
T12 >> 1462284883.55731106 XC 3D grid (10759.51520s) started
T12 >> 1462284884.11293197 van der Waals (10395.22530s) started
T12 >> 1462284884.21700811 semilocal (2192.17538s) started
T12 << 1462284889.89843607 semilocal (2197.85681s) stopped
T12 >> 1462284889.98202705 redistribute (1119.67153s) started
T12 << 1462284891.11057401 redistribute (1120.80007s) stopped
T12 >> 1462284891.11061811 libvdwxc nonlocal (7010.87606s) started
T12 << 1462284909.34419894 libvdwxc nonlocal (7029.10964s) stopped
T12 >> 1462284909.34426308 redistribute (1120.80011s) started
T12 << 1462284911.10934901 redistribute (1122.56519s) stopped
T12 << 1462284911.11047697 van der Waals (10422.22284s) stopped
T12 << 1462284911.56457591 XC 3D grid (10787.52246s) stopped
T12 >> 1462284911.56464601 Poisson (2375.08698s) started
T12 << 1462284917.30471706 Poisson (2380.82705s) stopped
T12 >> 1462284917.30484796 Hartree integrate/restrict (140.11781s) started
T12 << 1462284917.34782100 Hartree integrate/restrict (140.16079s) stopped
T12 >> 1462284917.34791589 Hartree integrate/restrict (140.16085s) started
T12 << 1462284917.67346597 Hartree integrate/restrict (140.48640s) stopped
T12 >> 1462284917.67355704 Atomic (907.81447s) started
T12 >> 1462284917.67527604 XC Correction (0.01252s) started
T12 << 1462284917.67529011 XC Correction (0.01253s) stopped
T12 << 1462284920.08460808 Atomic (910.22552s) stopped
T12 >> 1462284920.08474803 Communicate (3754.99608s) started
T12 << 1462284935.07420206 Communicate (3769.98553s) stopped
T12 << 1462284935.07424688 Hamiltonian (17999.57575s) stopped
T12 >> 1462284935.07427311 LCAO eigensolver (25986.18724s) started
T12 >> 1462284935.07428694 Potential matrix (391.46294s) started
T12 << 1462284936.04222703 Potential matrix (392.43088s) stopped
T12 >> 1462284936.04230690 DistributedAtomicCorrection (157.18694s) started
T12 << 1462284936.43833208 DistributedAtomicCorrection (157.58297s) stopped
T12 >> 1462284936.43838096 Distribute overlap matrix (2888.10366s) started
T12 >> 1462284936.43842411 blocked summation (1618.46308s) started
T12 << 1462284940.72338796 blocked summation (1622.74805s) stopped
T12 >> 1462284940.73316002 Scalapack redistribute (1265.64963s) started
T12 << 1462284944.14695311 Scalapack redistribute (1269.06342s) stopped
T12 << 1462284944.14706898 Distribute overlap matrix (2895.81235s) stopped
T12 >> 1462284944.15162802 Blacs Orbital Layouts (21837.13831s) started
T12 >> 1462284944.16019702 General diagonalize (21748.00985s) started
T12 << 1462284996.17509604 General diagonalize (21800.02475s) stopped
T12 >> 1462284996.17514896 Redistribute coefs (3.25798s) started
T12 << 1462284996.18347812 Redistribute coefs (3.26631s) stopped
T12 >> 1462284996.18353009 Send coefs to domains (82.21119s) started
T12 << 1462284996.28558397 Send coefs to domains (82.31324s) stopped
T12 << 1462284996.28599000 Blacs Orbital Layouts (21889.27268s) stopped
T12 >> 1462284996.28602004 Calculate projections (710.30438s) started
T12 << 1462284998.06664705 Calculate projections (712.08500s) stopped
T12 << 1462284998.06686807 LCAO eigensolver (26049.17983s) stopped
T12 >> 1462285001.26032495 Density (6247.68704s) started
T12 >> 1462285001.26034093 Pseudo density (4839.38020s) started
T12 >> 1462285001.26447701 Calculate density matrix (4548.10030s) started
T12 << 1462285013.08604598 Calculate density matrix (4559.92187s) stopped
T12 >> 1462285013.08610392 Construct density (283.61003s) started
T12 << 1462285013.84033203 Construct density (284.36426s) stopped
T12 >> 1462285013.85664701 Symmetrize density (0.03222s) started
T12 << 1462285013.85672212 Symmetrize density (0.03229s) stopped
T12 << 1462285013.85919690 Pseudo density (4851.97906s) stopped
T12 >> 1462285013.85926294 Atomic density matrices (1239.68259s) started
T12 << 1462285017.16336894 Atomic density matrices (1242.98670s) stopped
T12 >> 1462285017.16340709 Multipole moments (4.11952s) started
T12 << 1462285017.17683911 Multipole moments (4.13295s) stopped
T12 >> 1462285017.17687297 Normalize (2.58773s) started
T12 << 1462285017.18607998 Normalize (2.59693s) stopped
T12 >> 1462285017.18612289 Mix (161.88784s) started
T12 << 1462285017.62531304 Mix (162.32703s) stopped
T12 << 1462285017.62538195 Density (6264.05210s) stopped
T12 >> 1462285017.62541103 Hamiltonian (17999.57576s) started
T12 >> 1462285017.62542605 vbar (10.36508s) started
T12 << 1462285017.65039992 vbar (10.39005s) stopped
T12 >> 1462285017.65051794 XC 3D grid (10787.52252s) started
T12 >> 1462285018.19118810 van der Waals (10422.22286s) started
T12 >> 1462285018.30882001 semilocal (2197.85689s) started
T12 << 1462285024.06129789 semilocal (2203.60937s) stopped
T12 >> 1462285024.13660693 redistribute (1122.56525s) started
T12 << 1462285025.17267489 redistribute (1123.60131s) stopped
T12 >> 1462285025.17274404 libvdwxc nonlocal (7029.10968s) started
T12 << 1462285043.27631688 libvdwxc nonlocal (7047.21326s) stopped
T12 >> 1462285043.27640200 redistribute (1123.60137s) started
T12 << 1462285045.33110905 redistribute (1125.65608s) stopped
T12 << 1462285045.33223891 van der Waals (10449.36391s) stopped
T12 << 1462285045.79506803 XC 3D grid (10815.66707s) stopped
T12 >> 1462285045.79512000 Poisson (2380.82716s) started
T12 << 1462285050.11959004 Poisson (2385.15163s) stopped
T12 >> 1462285050.11968899 Hartree integrate/restrict (140.48645s) started
T12 << 1462285050.15708995 Hartree integrate/restrict (140.52385s) stopped
T12 >> 1462285050.15723300 Hartree integrate/restrict (140.52395s) started
T12 << 1462285050.48602700 Hartree integrate/restrict (140.85274s) stopped
T12 >> 1462285050.48610997 Atomic (910.22555s) started
T12 >> 1462285050.48785996 XC Correction (0.01254s) started
T12 << 1462285050.48787498 XC Correction (0.01256s) stopped
T12 << 1462285052.88868809 Atomic (912.62812s) stopped
T12 >> 1462285052.88881397 Communicate (3769.98556s) started
T12 << 1462285067.90386295 Communicate (3785.00061s) stopped
T12 << 1462285067.90390897 Hamiltonian (18049.85426s) stopped
T12 >> 1462285067.90393710 LCAO eigensolver (26049.17985s) started
T12 >> 1462285067.90395093 Potential matrix (392.43092s) started
T12 << 1462285068.87094808 Potential matrix (393.39792s) stopped
T12 >> 1462285068.87102699 DistributedAtomicCorrection (157.58300s) started
T12 << 1462285069.26856208 DistributedAtomicCorrection (157.98054s) stopped
T12 >> 1462285069.26861000 Distribute overlap matrix (2895.81236s) started
T12 >> 1462285069.26865506 blocked summation (1622.74808s) started
T12 << 1462285073.55348492 blocked summation (1627.03291s) stopped
T12 >> 1462285073.56254601 Scalapack redistribute (1269.06349s) started
T12 << 1462285076.90678406 Scalapack redistribute (1272.40773s) stopped
T12 << 1462285076.90690494 Distribute overlap matrix (2903.45065s) stopped
T12 >> 1462285076.91143990 Blacs Orbital Layouts (21889.27270s) started
T12 >> 1462285076.92015409 General diagonalize (21800.02479s) started
T12 << 1462285128.97793889 General diagonalize (21852.08257s) stopped
T12 >> 1462285128.97799897 Redistribute coefs (3.26635s) started
T12 << 1462285128.98617601 Redistribute coefs (3.27453s) stopped
T12 >> 1462285128.98622704 Send coefs to domains (82.31328s) started
T12 << 1462285129.09991407 Send coefs to domains (82.42697s) stopped
T12 << 1462285129.10030508 Blacs Orbital Layouts (21941.46156s) stopped
T12 >> 1462285129.10033488 Calculate projections (712.08506s) started
T12 << 1462285130.87993002 Calculate projections (713.86466s) stopped
T12 << 1462285130.88013697 LCAO eigensolver (26112.15605s) stopped
T12 >> 1462285134.06548309 Density (6264.05211s) started
T12 >> 1462285134.06549811 Pseudo density (4851.97911s) started
T12 >> 1462285134.06925011 Calculate density matrix (4559.92191s) started
T12 << 1462285145.92626905 Calculate density matrix (4571.77893s) stopped
T12 >> 1462285145.92632604 Construct density (284.36431s) started
T12 << 1462285146.68326807 Construct density (285.12126s) stopped
T12 >> 1462285146.69987893 Symmetrize density (0.03231s) started
T12 << 1462285146.69995594 Symmetrize density (0.03239s) stopped
T12 << 1462285146.70243406 Pseudo density (4864.61605s) stopped
T12 >> 1462285146.70250392 Atomic density matrices (1242.98673s) started
T12 << 1462285149.97151494 Atomic density matrices (1246.25574s) stopped
T12 >> 1462285149.97155309 Multipole moments (4.13297s) started
T12 << 1462285149.98510695 Multipole moments (4.14652s) stopped
T12 >> 1462285149.98514199 Normalize (2.59696s) started
T12 << 1462285149.99287391 Normalize (2.60470s) stopped
T12 >> 1462285149.99291801 Mix (162.32709s) started
T12 << 1462285150.43638706 Mix (162.77056s) stopped
T12 << 1462285150.43645501 Density (6280.42309s) stopped
T12 >> 1462285150.43648291 Hamiltonian (18049.85427s) started
T12 >> 1462285150.43649697 vbar (10.39012s) started
T12 << 1462285150.46275306 vbar (10.41637s) stopped
T12 >> 1462285150.46285701 XC 3D grid (10815.66711s) started
T12 >> 1462285150.98126292 van der Waals (10449.36393s) started
T12 >> 1462285151.09879899 semilocal (2203.60946s) started
T12 << 1462285156.83233905 semilocal (2209.34300s) stopped
T12 >> 1462285156.90581203 redistribute (1125.65612s) started
T12 << 1462285157.96517706 redistribute (1126.71548s) stopped
T12 >> 1462285157.96522808 libvdwxc nonlocal (7047.21332s) started
T12 << 1462285176.22135210 libvdwxc nonlocal (7065.46945s) stopped
T12 >> 1462285176.22143698 redistribute (1126.71552s) started
T12 << 1462285178.19372797 redistribute (1128.68781s) stopped
T12 << 1462285178.19469404 van der Waals (10476.57736s) stopped
T12 << 1462285178.65593600 XC 3D grid (10843.86019s) stopped
T12 >> 1462285178.65600705 Poisson (2385.15170s) started
T12 << 1462285181.58128095 Poisson (2388.07697s) stopped
T12 >> 1462285181.58145404 Hartree integrate/restrict (140.85278s) started
T12 << 1462285181.61873698 Hartree integrate/restrict (140.89006s) stopped
T12 >> 1462285181.61888194 Hartree integrate/restrict (140.89016s) started
T12 << 1462285181.95382190 Hartree integrate/restrict (141.22510s) stopped
T12 >> 1462285181.95392799 Atomic (912.62815s) started
T12 >> 1462285181.95566201 XC Correction (0.01257s) started
T12 << 1462285181.95567703 XC Correction (0.01258s) stopped
T12 << 1462285184.35635996 Atomic (915.03058s) stopped
T12 >> 1462285184.35647011 Communicate (3785.00064s) started
T12 << 1462285199.34236789 Communicate (3799.98654s) stopped
T12 << 1462285199.34241295 Hamiltonian (18098.76020s) stopped
T12 >> 1462285199.34244204 LCAO eigensolver (26112.15607s) started
T12 >> 1462285199.34245491 Potential matrix (393.39796s) started
T12 << 1462285200.31322098 Potential matrix (394.36873s) stopped
T12 >> 1462285200.31330490 DistributedAtomicCorrection (157.98058s) started
T12 << 1462285200.71602106 DistributedAtomicCorrection (158.38330s) stopped
T12 >> 1462285200.71606994 Distribute overlap matrix (2903.45067s) started
T12 >> 1462285200.71611404 blocked summation (1627.03295s) started
T12 << 1462285204.94933510 blocked summation (1631.26617s) stopped
T12 >> 1462285204.95852304 Scalapack redistribute (1272.40781s) started
T12 << 1462285208.30815411 Scalapack redistribute (1275.75744s) stopped
T12 << 1462285208.30827498 Distribute overlap matrix (2911.04287s) stopped
T12 >> 1462285208.31287098 Blacs Orbital Layouts (21941.46158s) started
T12 >> 1462285208.32196307 General diagonalize (21852.08263s) started
T12 << 1462285262.91602898 General diagonalize (21906.67669s) stopped
T12 >> 1462285262.91608191 Redistribute coefs (3.27457s) started
T12 << 1462285262.92420697 Redistribute coefs (3.28269s) stopped
T12 >> 1462285262.92427802 Send coefs to domains (82.42701s) started
T12 << 1462285263.06013107 Send coefs to domains (82.56286s) stopped
T12 << 1462285263.06046605 Blacs Orbital Layouts (21996.20918s) stopped
T12 >> 1462285263.06049609 Calculate projections (713.86471s) started
T12 << 1462285264.84031796 Calculate projections (715.64453s) stopped
T12 << 1462285264.84051991 LCAO eigensolver (26177.65415s) stopped
T12 >> 1462285268.00545812 Density (6280.42310s) started
T12 >> 1462285268.00547290 Pseudo density (4864.61610s) started
T12 >> 1462285268.00835395 Calculate density matrix (4571.77896s) started
T12 << 1462285280.13038111 Calculate density matrix (4583.90099s) stopped
T12 >> 1462285280.13043809 Construct density (285.12131s) started
T12 << 1462285280.88768005 Construct density (285.87856s) stopped
T12 >> 1462285280.90433311 Symmetrize density (0.03241s) started
T12 << 1462285280.90441203 Symmetrize density (0.03249s) stopped
T12 << 1462285280.90690207 Pseudo density (4877.51753s) stopped
T12 >> 1462285280.90697098 Atomic density matrices (1246.25577s) started
T12 << 1462285284.25715208 Atomic density matrices (1249.60595s) stopped
T12 >> 1462285284.25719094 Multipole moments (4.14654s) started
T12 << 1462285284.27015305 Multipole moments (4.15950s) stopped
T12 >> 1462285284.27018905 Normalize (2.60473s) started
T12 << 1462285284.27697706 Normalize (2.61152s) stopped
T12 >> 1462285284.27702188 Mix (162.77063s) started
T12 << 1462285284.71254110 Mix (163.20615s) stopped
T12 << 1462285284.71257591 Density (6297.13022s) stopped
T12 >> 1462285284.71260190 Hamiltonian (18098.76021s) started
T12 >> 1462285284.71261811 vbar (10.41643s) started
T12 << 1462285284.74069810 vbar (10.44451s) stopped
T12 >> 1462285284.74089789 XC 3D grid (10843.86025s) started
T12 >> 1462285285.23142004 van der Waals (10476.57739s) started
T12 >> 1462285285.34668207 semilocal (2209.34313s) started
T12 << 1462285291.10620999 semilocal (2215.10266s) stopped
T12 >> 1462285291.17912602 redistribute (1128.68786s) started
T12 << 1462285292.21929312 redistribute (1129.72802s) stopped
T12 >> 1462285292.21934390 libvdwxc nonlocal (7065.46951s) started
T12 << 1462285310.37349010 libvdwxc nonlocal (7083.62366s) stopped
T12 >> 1462285310.37357306 redistribute (1129.72806s) started
T12 << 1462285312.44713807 redistribute (1131.80163s) stopped
T12 << 1462285312.44799304 van der Waals (10503.79396s) stopped
T12 << 1462285312.91817904 XC 3D grid (10872.03753s) stopped
T12 >> 1462285312.91823697 Poisson (2388.07710s) started
T12 << 1462285317.33770204 Poisson (2392.49657s) stopped
T12 >> 1462285317.33787203 Hartree integrate/restrict (141.22516s) started
T12 << 1462285317.37461495 Hartree integrate/restrict (141.26190s) stopped
T12 >> 1462285317.37475705 Hartree integrate/restrict (141.26199s) started
T12 << 1462285317.71927190 Hartree integrate/restrict (141.60650s) stopped
T12 >> 1462285317.71936393 Atomic (915.03061s) started
T12 >> 1462285317.72116089 XC Correction (0.01259s) started
T12 << 1462285317.72118306 XC Correction (0.01262s) stopped
T12 << 1462285320.12323594 Atomic (917.43448s) stopped
T12 >> 1462285320.12333107 Communicate (3799.98657s) started
T12 << 1462285335.06395006 Communicate (3814.92719s) stopped
T12 << 1462285335.06399107 Hamiltonian (18149.11160s) stopped
T12 >> 1462285335.06401706 LCAO eigensolver (26177.65417s) started
T12 >> 1462285335.06403089 Potential matrix (394.36878s) started
T12 << 1462285336.03326201 Potential matrix (395.33801s) stopped
T12 >> 1462285336.03334308 DistributedAtomicCorrection (158.38333s) started
T12 << 1462285336.43738103 DistributedAtomicCorrection (158.78737s) stopped
T12 >> 1462285336.43742895 Distribute overlap matrix (2911.04289s) started
T12 >> 1462285336.43747306 blocked summation (1631.26623s) started
T12 << 1462285340.64968109 blocked summation (1635.47843s) stopped
T12 >> 1462285340.65904593 Scalapack redistribute (1275.75751s) started
T12 << 1462285344.15880489 Scalapack redistribute (1279.25727s) stopped
T12 << 1462285344.15889311 Distribute overlap matrix (2918.76435s) stopped
T12 >> 1462285344.16354609 Blacs Orbital Layouts (21996.20920s) started
T12 >> 1462285344.17263007 General diagonalize (21906.67674s) started
T12 << 1462285396.21411800 General diagonalize (21958.71822s) stopped
T12 >> 1462285396.21420598 Redistribute coefs (3.28275s) started
T12 << 1462285396.22270489 Redistribute coefs (3.29125s) stopped
T12 >> 1462285396.22275305 Send coefs to domains (82.56290s) started
T12 << 1462285396.36854696 Send coefs to domains (82.70869s) stopped
T12 << 1462285396.36895299 Blacs Orbital Layouts (22048.41460s) stopped
T12 >> 1462285396.36898303 Calculate projections (715.64459s) started
T12 << 1462285398.14949203 Calculate projections (717.42510s) stopped
T12 << 1462285398.14969301 LCAO eigensolver (26240.73985s) stopped
T12 >> 1462285401.34050488 Density (6297.13023s) started
T12 >> 1462285401.34051991 Pseudo density (4877.51759s) started
T12 >> 1462285401.34373689 Calculate density matrix (4583.90103s) started
T12 << 1462285413.27467489 Calculate density matrix (4595.83197s) stopped
T12 >> 1462285413.27473211 Construct density (285.87862s) started
T12 << 1462285414.02939510 Construct density (286.63328s) stopped
T12 >> 1462285414.04592705 Symmetrize density (0.03251s) started
T12 << 1462285414.04600191 Symmetrize density (0.03258s) stopped
T12 << 1462285414.04847193 Pseudo density (4890.22554s) stopped
T12 >> 1462285414.04854012 Atomic density matrices (1249.60598s) started
T12 << 1462285417.45111299 Atomic density matrices (1253.00855s) stopped
T12 >> 1462285417.45114994 Multipole moments (4.15952s) started
T12 << 1462285417.46416903 Multipole moments (4.17254s) stopped
T12 >> 1462285417.46420288 Normalize (2.61155s) started
T12 << 1462285417.47196794 Normalize (2.61931s) stopped
T12 >> 1462285417.47201800 Mix (163.20618s) started
T12 << 1462285417.89763093 Mix (163.63180s) stopped
T12 << 1462285417.89769411 Density (6313.68742s) stopped
T12 >> 1462285417.89772201 Hamiltonian (18149.11162s) started
T12 >> 1462285417.89773703 vbar (10.44462s) started
T12 << 1462285417.92040610 vbar (10.46729s) stopped
T12 >> 1462285417.92053390 XC 3D grid (10872.03758s) started
T12 >> 1462285418.46695995 van der Waals (10503.79399s) started
T12 >> 1462285418.58324289 semilocal (2215.10276s) started
T12 << 1462285424.32554007 semilocal (2220.84506s) stopped
T12 >> 1462285424.39931607 redistribute (1131.80169s) started
T12 << 1462285425.46103191 redistribute (1132.86340s) stopped
T12 >> 1462285425.46108198 libvdwxc nonlocal (7083.62372s) started
T12 << 1462285443.63145804 libvdwxc nonlocal (7101.79409s) stopped
T12 >> 1462285443.63153291 redistribute (1132.86344s) started
T12 << 1462285446.70375299 redistribute (1135.93566s) stopped
T12 << 1462285446.70459604 van der Waals (10532.03163s) stopped
T12 << 1462285447.17182302 XC 3D grid (10901.28887s) stopped
T12 >> 1462285447.17187595 Poisson (2392.49670s) started
T12 << 1462285450.15655899 Poisson (2395.48138s) stopped
T12 >> 1462285450.15672112 Hartree integrate/restrict (141.60655s) started
T12 << 1462285450.19467807 Hartree integrate/restrict (141.64450s) stopped
T12 >> 1462285450.19484711 Hartree integrate/restrict (141.64462s) started
T12 << 1462285450.52630591 Hartree integrate/restrict (141.97608s) stopped
T12 >> 1462285450.52642989 Atomic (917.43450s) started
T12 >> 1462285450.52816010 XC Correction (0.01263s) started
T12 << 1462285450.52817512 XC Correction (0.01264s) stopped
T12 << 1462285452.93356800 Atomic (919.84164s) stopped
T12 >> 1462285452.93366599 Communicate (3814.92722s) started
T12 << 1462285467.87478590 Communicate (3829.86834s) stopped
T12 << 1462285467.87482691 Hamiltonian (18199.08872s) stopped
T12 >> 1462285467.87485790 LCAO eigensolver (26240.73987s) started
T12 >> 1462285467.87487197 Potential matrix (395.33805s) started
T12 << 1462285468.84688711 Potential matrix (396.31007s) stopped
T12 >> 1462285468.84697008 DistributedAtomicCorrection (158.78741s) started
T12 << 1462285469.24363089 DistributedAtomicCorrection (159.18407s) stopped
T12 >> 1462285469.24368000 Distribute overlap matrix (2918.76436s) started
T12 >> 1462285469.24372411 blocked summation (1635.47847s) started
T12 << 1462285473.50205588 blocked summation (1639.73680s) stopped
T12 >> 1462285473.51126003 Scalapack redistribute (1279.25732s) started
T12 << 1462285477.04247308 Scalapack redistribute (1282.78853s) stopped
T12 << 1462285477.04258394 Distribute overlap matrix (2926.56327s) stopped
T12 >> 1462285477.04742289 Blacs Orbital Layouts (22048.41462s) started
T12 >> 1462285477.05634308 General diagonalize (21958.71829s) started
T12 << 1462285532.31529593 General diagonalize (22013.97725s) stopped
T12 >> 1462285532.31535792 Redistribute coefs (3.29129s) started
T12 << 1462285532.32327199 Redistribute coefs (3.29920s) stopped
T12 >> 1462285532.32332110 Send coefs to domains (82.70873s) started
T12 << 1462285532.42039490 Send coefs to domains (82.80581s) stopped
T12 << 1462285532.42079210 Blacs Orbital Layouts (22103.78799s) stopped
T12 >> 1462285532.42082191 Calculate projections (717.42515s) started
T12 << 1462285534.19936609 Calculate projections (719.20370s) stopped
T12 << 1462285534.19957995 LCAO eigensolver (26307.06459s) stopped
T12 << 1462285537.38707709 SCF-cycle (52131.63724s) stopped
T12 >> 1462285539.41125488 Force calculation (2116.36624s) started
T12 >> 1462285539.41134596 LCAO forces (2093.28353s) started
T12 >> 1462285539.41172600 Initial (0.00062s) started
T12 << 1462285539.41173697 Initial (0.00063s) stopped
T12 >> 1462285539.41814709 Get density matrix (1104.05494s) started
T12 << 1462285548.56515908 Get density matrix (1113.20195s) stopped
T12 >> 1462285548.56520700 Potential (166.49755s) started
T12 << 1462285554.55841398 Potential (172.49076s) stopped
T12 >> 1462285554.55847597 Get density matrix (1113.20199s) started
T12 << 1462285585.63175797 Get density matrix (1144.27527s) stopped
T12 >> 1462285585.63182402 Prepare TCI loop (58.11322s) started
T12 >> 1462285585.63237906 Get neighbors (52.69866s) started
T12 << 1462285587.56893992 Get neighbors (54.63522s) stopped
T12 >> 1462285587.56933904 broadcast dH (5.38441s) started
T12 << 1462285587.73927402 broadcast dH (5.55434s) stopped
T12 << 1462285587.73932099 Prepare TCI loop (60.22071s) stopped
T12 >> 1462285587.73934293 Not so complicated loop (3.23216s) started
T12 << 1462285587.86061907 Not so complicated loop (3.35344s) stopped
T12 >> 1462285587.98375511 Complicated loop (496.75063s) started
T12 << 1462285607.01508307 Complicated loop (515.78196s) stopped
T12 >> 1462285607.01618290 Wait for sum (261.24465s) started
T12 << 1462285616.39347911 Wait for sum (270.62195s) stopped
T12 << 1462285616.39351892 LCAO forces (2170.26571s) stopped
T12 << 1462285617.27041888 Force calculation (2194.22540s) stopped
T12 >> 1462285617.28854704 Initialization (3480.57449s) started
T12 << 1462285617.28871989 Initialization (3480.57466s) stopped
T12 >> 1462285617.28894591 Initialization (3480.57468s) started
T12 << 1462285617.28907990 Initialization (3480.57481s) stopped
T12 >> 1462285617.28921509 Initialization (3480.57482s) started
T12 << 1462285617.28934407 Initialization (3480.57495s) stopped
T12 >> 1462285637.70861912 Initialization (3480.57497s) started
T12 >> 1462285637.71900201 Basic WFS set positions (2.44313s) started
T12 >> 1462285637.71902990 Redistribute (0.01090s) started
T12 << 1462285637.71916795 Redistribute (0.01104s) stopped
T12 << 1462285637.80650210 Basic WFS set positions (2.53063s) stopped
T12 >> 1462285637.80652809 Basis functions set positions (50.21736s) started
T12 << 1462285639.70049596 Basis functions set positions (52.11133s) stopped
T12 >> 1462285639.70105791 TCI: Calculate S, T, P (422.39092s) started
T12 << 1462285654.91131401 TCI: Calculate S, T, P (437.60117s) stopped
T12 >> 1462285654.91138506 blocked summation (591.58357s) started
T12 << 1462285678.92121601 blocked summation (615.59340s) stopped
T12 >> 1462285678.93071008 Scalapack redistribute (230.86553s) started
T12 << 1462285688.85960007 Scalapack redistribute (240.79442s) stopped
T12 >> 1462285688.86076403 blocked summation (615.59345s) started
T12 << 1462285689.84900689 blocked summation (616.58169s) stopped
T12 >> 1462285689.85862994 Scalapack redistribute (240.79448s) started
T12 << 1462285690.09754205 Scalapack redistribute (241.03339s) stopped
T12 >> 1462285690.09980893 Redistribute (0.08520s) started
T12 << 1462285690.10038209 Redistribute (0.08578s) stopped
T12 >> 1462285691.79396701 Redistribute (0.08580s) started
T12 << 1462285691.79445291 Redistribute (0.08628s) stopped
T12 >> 1462285691.81347394 LCAO WFS Initialize (2125.74100s) started
T12 >> 1462285691.81350994 Density initialize from wavefunctions (398.38425s) started
T12 >> 1462285691.81763601 Calculate density matrix (276.73131s) started
T12 << 1462285701.61053705 Calculate density matrix (286.52421s) stopped
T12 >> 1462285701.61059308 Construct density (20.84173s) started
T12 << 1462285702.36604190 Construct density (21.59718s) stopped
T12 >> 1462285702.38132501 Symmetrize density (0.00221s) started
T12 << 1462285702.38139606 Symmetrize density (0.00228s) stopped
T12 << 1462285706.10617495 Density initialize from wavefunctions (412.67691s) stopped
T12 >> 1462285706.10648394 Hamiltonian (1726.43510s) started
T12 >> 1462285706.10650301 vbar (0.81773s) started
T12 << 1462285706.13719010 vbar (0.84842s) stopped
T12 >> 1462285706.13729095 XC 3D grid (833.41879s) started
T12 >> 1462285706.61531711 van der Waals (805.67762s) started
T12 >> 1462285706.72776794 semilocal (168.13486s) started
T12 << 1462285712.48661590 semilocal (173.89371s) stopped
T12 >> 1462285712.57024002 redistribute (96.56174s) started
T12 << 1462285713.58450198 redistribute (97.57600s) stopped
T12 >> 1462285713.58458400 libvdwxc nonlocal (535.44224s) started
T12 << 1462285732.19227600 libvdwxc nonlocal (554.04994s) stopped
T12 >> 1462285732.19235611 redistribute (97.57606s) started
T12 << 1462285734.22312307 redistribute (99.60683s) stopped
T12 << 1462285734.22416711 van der Waals (833.28647s) stopped
T12 << 1462285734.69126511 XC 3D grid (861.97277s) stopped
T12 >> 1462285734.69132996 Poisson (453.81456s) started
T12 << 1462285746.24195504 Poisson (465.36519s) stopped
T12 >> 1462285746.24212289 Hartree integrate/restrict (10.72194s) started
T12 << 1462285746.27920389 Hartree integrate/restrict (10.75903s) stopped
T12 >> 1462285746.27936411 Hartree integrate/restrict (10.75913s) started
T12 << 1462285746.61673093 Hartree integrate/restrict (11.09650s) stopped
T12 >> 1462285746.61683989 Atomic (68.42937s) started
T12 >> 1462285746.61913800 XC Correction (0.00115s) started
T12 << 1462285746.61915302 XC Correction (0.00116s) stopped
T12 << 1462285748.99654198 Atomic (70.80907s) stopped
T12 >> 1462285748.99673295 Communicate (359.19458s) started
T12 << 1462285765.40069294 Communicate (375.59854s) stopped
T12 << 1462285765.40072393 Hamiltonian (1785.72934s) stopped
T12 << 1462285765.40073800 LCAO WFS Initialize (2199.32827s) stopped
T12 << 1462285765.41307211 Initialization (3608.27942s) stopped
T12 >> 1462285765.43954396 SCF-cycle (52131.63726s) started
T12 >> 1462285765.43958497 LCAO eigensolver (26307.06461s) started
T12 >> 1462285765.43959808 Potential matrix (396.31012s) started
T12 << 1462285766.41019893 Potential matrix (397.28072s) stopped
T12 >> 1462285766.41028190 DistributedAtomicCorrection (159.18411s) started
T12 << 1462285766.81291294 DistributedAtomicCorrection (159.58674s) stopped
T12 >> 1462285766.81299901 Distribute overlap matrix (2926.56328s) started
T12 >> 1462285766.81304097 blocked summation (1639.73686s) started
T12 << 1462285771.00693107 blocked summation (1643.93075s) stopped
T12 >> 1462285771.01634192 Scalapack redistribute (1282.78860s) started
T12 << 1462285774.50777197 Scalapack redistribute (1286.28003s) stopped
T12 << 1462285774.50788689 Distribute overlap matrix (2934.25817s) stopped
T12 >> 1462285774.51197004 Blacs Orbital Layouts (22103.78801s) started
T12 >> 1462285774.52127099 General diagonalize (22013.97730s) started
T12 << 1462285826.59353304 General diagonalize (22066.04956s) stopped
T12 >> 1462285826.59362888 Redistribute coefs (3.29924s) started
T12 << 1462285826.60176802 Redistribute coefs (3.30738s) stopped
T12 >> 1462285826.60184312 Send coefs to domains (82.80584s) started
T12 << 1462285826.70237708 Send coefs to domains (82.90638s) stopped
T12 << 1462285826.70288897 Blacs Orbital Layouts (22155.97893s) stopped
T12 >> 1462285826.70291901 Calculate projections (719.20375s) started
T12 << 1462285828.47285700 Calculate projections (720.97369s) stopped
T12 << 1462285828.47311711 LCAO eigensolver (26370.09814s) stopped
T12 >> 1462285831.63757706 Density (6313.68744s) started
T12 >> 1462285831.63759303 Pseudo density (4890.22559s) started
T12 >> 1462285831.64064693 Calculate density matrix (4595.83200s) started
T12 << 1462285843.39069390 Calculate density matrix (4607.58205s) stopped
T12 >> 1462285843.39074206 Construct density (286.63334s) started
T12 << 1462285844.14613891 Construct density (287.38873s) stopped
T12 >> 1462285844.16344500 Symmetrize density (0.03260s) started
T12 << 1462285844.16351199 Symmetrize density (0.03267s) stopped
T12 << 1462285844.16598296 Pseudo density (4902.75398s) stopped
T12 >> 1462285844.16603994 Atomic density matrices (1253.00858s) started
T12 << 1462285847.56854796 Atomic density matrices (1256.41109s) stopped
T12 >> 1462285847.56858110 Multipole moments (4.17255s) started
T12 << 1462285847.58207989 Multipole moments (4.18605s) stopped
T12 >> 1462285847.58210301 Normalize (2.61935s) started
T12 << 1462285847.58859897 Normalize (2.62584s) stopped
T12 >> 1462285847.58863807 Mix (163.63186s) started
T12 << 1462285847.94730306 Mix (163.99052s) stopped
T12 << 1462285847.94739103 Density (6329.99725s) stopped
T12 >> 1462285847.94743109 Hamiltonian (18199.08874s) started
T12 >> 1462285847.94744992 vbar (10.46736s) started
T12 << 1462285847.98006392 vbar (10.49997s) stopped
T12 >> 1462285847.98019910 XC 3D grid (10901.28891s) started
T12 >> 1462285848.43470502 van der Waals (10532.03165s) started
T12 >> 1462285848.54758000 semilocal (2220.84515s) started
T12 << 1462285854.35791802 semilocal (2226.65549s) stopped
T12 >> 1462285854.43325400 redistribute (1135.93570s) started
T12 << 1462285855.40098500 redistribute (1136.90343s) stopped
T12 >> 1462285855.40102696 libvdwxc nonlocal (7101.79415s) started
T12 << 1462285874.85142493 libvdwxc nonlocal (7121.24455s) stopped
T12 >> 1462285874.85147500 redistribute (1136.90346s) started
T12 << 1462285876.55612898 redistribute (1138.60812s) stopped
T12 << 1462285876.55733299 van der Waals (10560.15428s) stopped
T12 << 1462285877.02060103 XC 3D grid (10930.32931s) stopped
T12 >> 1462285877.02064300 Poisson (2395.48150s) started
T12 << 1462285882.97677994 Poisson (2401.43764s) stopped
T12 >> 1462285882.97683811 Hartree integrate/restrict (141.97615s) started
T12 << 1462285883.03742194 Hartree integrate/restrict (142.03674s) stopped
T12 >> 1462285883.03748012 Hartree integrate/restrict (142.03677s) started
T12 << 1462285883.34471893 Hartree integrate/restrict (142.34401s) stopped
T12 >> 1462285883.34481311 Atomic (919.84167s) started
T12 >> 1462285883.34679508 XC Correction (0.01265s) started
T12 << 1462285883.34682202 XC Correction (0.01268s) stopped
T12 << 1462285885.74151802 Atomic (922.23837s) stopped
T12 >> 1462285885.74169302 Communicate (3829.86836s) started
T12 << 1462285902.19045496 Communicate (3846.31712s) stopped
T12 << 1462285902.19049191 Hamiltonian (18253.33180s) stopped
T12 >> 1462285902.19051695 LCAO eigensolver (26370.09816s) started
T12 >> 1462285902.19053006 Potential matrix (397.28076s) started
T12 << 1462285903.14932799 Potential matrix (398.23956s) stopped
T12 >> 1462285903.14941096 DistributedAtomicCorrection (159.58682s) started
T12 << 1462285903.54991794 DistributedAtomicCorrection (159.98732s) stopped
T12 >> 1462285903.54996395 Distribute overlap matrix (2934.25818s) started
T12 >> 1462285903.54999995 blocked summation (1643.93080s) started
T12 << 1462285907.75681400 blocked summation (1648.13762s) stopped
T12 >> 1462285907.76692104 Scalapack redistribute (1286.28010s) started
T12 << 1462285911.25381207 Scalapack redistribute (1289.76699s) stopped
T12 << 1462285911.25391102 Distribute overlap matrix (2941.96213s) stopped
T12 >> 1462285911.25825596 Blacs Orbital Layouts (22155.97895s) started
T12 >> 1462285911.26695704 General diagonalize (22066.04964s) started
T12 << 1462285966.10537696 General diagonalize (22120.88806s) stopped
T12 >> 1462285966.10542607 Redistribute coefs (3.30744s) started
T12 << 1462285966.11246109 Redistribute coefs (3.31447s) stopped
T12 >> 1462285966.11256409 Send coefs to domains (82.90641s) started
T12 << 1462285966.33546090 Send coefs to domains (83.12931s) stopped
T12 << 1462285966.33590698 Blacs Orbital Layouts (22211.05660s) stopped
T12 >> 1462285966.33593607 Calculate projections (720.97375s) started
T12 << 1462285968.10403204 Calculate projections (722.74184s) stopped
T12 << 1462285968.10440993 LCAO eigensolver (26436.01205s) stopped
T12 >> 1462285971.28145909 Density (6329.99727s) started
T12 >> 1462285971.28147411 Pseudo density (4902.75403s) started
T12 >> 1462285971.28477812 Calculate density matrix (4607.58208s) started
T12 << 1462285983.02499890 Calculate density matrix (4619.32230s) stopped
T12 >> 1462285983.02504802 Construct density (287.38878s) started
T12 << 1462285983.77913189 Construct density (288.14287s) stopped
T12 >> 1462285983.79603791 Symmetrize density (0.03268s) started
T12 << 1462285983.79610896 Symmetrize density (0.03275s) stopped
T12 << 1462285983.79852295 Pseudo density (4915.27108s) stopped
T12 >> 1462285983.79857993 Atomic density matrices (1256.41111s) started
T12 << 1462285987.18857193 Atomic density matrices (1259.80110s) stopped
T12 >> 1462285987.18860412 Multipole moments (4.18607s) started
T12 << 1462285987.20234394 Multipole moments (4.19981s) stopped
T12 >> 1462285987.20236802 Normalize (2.62587s) started
T12 << 1462285987.20923305 Normalize (2.63274s) stopped
T12 >> 1462285987.20927811 Mix (163.99061s) started
T12 << 1462285987.62238908 Mix (164.40372s) stopped
T12 << 1462285987.62245202 Density (6346.33826s) stopped
T12 >> 1462285987.62248206 Hamiltonian (18253.33181s) started
T12 >> 1462285987.62249708 vbar (10.50005s) started
T12 << 1462285987.64614701 vbar (10.52370s) stopped
T12 >> 1462285987.64627409 XC 3D grid (10930.32934s) started
T12 >> 1462285988.14852405 van der Waals (10560.15431s) started
T12 >> 1462285988.26465797 semilocal (2226.65557s) started
T12 << 1462285994.01081705 semilocal (2232.40173s) stopped
T12 >> 1462285994.08857489 redistribute (1138.60817s) started
T12 << 1462285995.12704992 redistribute (1139.64665s) stopped
T12 >> 1462285995.12709188 libvdwxc nonlocal (7121.24459s) started
T12 << 1462286013.62311101 libvdwxc nonlocal (7139.74061s) stopped
T12 >> 1462286013.62317705 redistribute (1139.64668s) started
T12 << 1462286015.34821606 redistribute (1141.37172s) stopped
T12 << 1462286015.34943604 van der Waals (10587.35522s) stopped
T12 << 1462286015.81255293 XC 3D grid (10958.49562s) stopped
T12 >> 1462286015.81259608 Poisson (2401.43768s) started
T12 << 1462286022.98675108 Poisson (2408.61184s) stopped
T12 >> 1462286022.98685002 Hartree integrate/restrict (142.34406s) started
T12 << 1462286023.03548002 Hartree integrate/restrict (142.39269s) stopped
T12 >> 1462286023.03557491 Hartree integrate/restrict (142.39275s) started
T12 << 1462286023.35235906 Hartree integrate/restrict (142.70954s) stopped
T12 >> 1462286023.35246706 Atomic (922.23840s) started
T12 >> 1462286023.35438299 XC Correction (0.01270s) started
T12 << 1462286023.35444498 XC Correction (0.01276s) stopped
T12 << 1462286025.73720407 Atomic (924.62313s) stopped
T12 >> 1462286025.73736906 Communicate (3846.31715s) started
T12 << 1462286042.16365910 Communicate (3862.74344s) stopped
T12 << 1462286042.16369605 Hamiltonian (18307.87303s) stopped
T12 >> 1462286042.16371989 LCAO eigensolver (26436.01207s) started
T12 >> 1462286042.16373301 Potential matrix (398.23961s) started
T12 << 1462286043.13089609 Potential matrix (399.20677s) stopped
T12 >> 1462286043.13098407 DistributedAtomicCorrection (159.98736s) started
T12 << 1462286043.52690792 DistributedAtomicCorrection (160.38329s) stopped
T12 >> 1462286043.52695394 Distribute overlap matrix (2941.96214s) started
T12 >> 1462286043.52698898 blocked summation (1648.13765s) started
T12 << 1462286047.81051397 blocked summation (1652.42117s) stopped
T12 >> 1462286047.82019401 Scalapack redistribute (1289.76705s) started
T12 << 1462286051.27055311 Scalapack redistribute (1293.21741s) stopped
T12 << 1462286051.27062106 Distribute overlap matrix (2949.70581s) stopped
T12 >> 1462286051.27530694 Blacs Orbital Layouts (22211.05662s) started
T12 >> 1462286051.28377008 General diagonalize (22120.88810s) started
T12 << 1462286106.10439301 General diagonalize (22175.70872s) stopped
T12 >> 1462286106.10443997 Redistribute coefs (3.31455s) started
T12 << 1462286106.11161304 Redistribute coefs (3.32173s) stopped
T12 >> 1462286106.11169791 Send coefs to domains (83.12934s) started
T12 << 1462286106.24573493 Send coefs to domains (83.26338s) stopped
T12 << 1462286106.24625397 Blacs Orbital Layouts (22266.02757s) stopped
T12 >> 1462286106.24628210 Calculate projections (722.74189s) started
T12 << 1462286108.01377201 Calculate projections (724.50938s) stopped
T12 << 1462286108.01412392 LCAO eigensolver (26501.86247s) stopped
T12 >> 1462286111.20997310 Density (6346.33827s) started
T12 >> 1462286111.20998812 Pseudo density (4915.27112s) started
T12 >> 1462286111.21308994 Calculate density matrix (4619.32234s) started
T12 << 1462286123.00578904 Calculate density matrix (4631.11503s) stopped
T12 >> 1462286123.00584006 Construct density (288.14292s) started
T12 << 1462286123.75952911 Construct density (288.89661s) stopped
T12 >> 1462286123.77683997 Symmetrize density (0.03277s) started
T12 << 1462286123.77690291 Symmetrize density (0.03283s) stopped
T12 << 1462286123.77931094 Pseudo density (4927.84045s) stopped
T12 >> 1462286123.77936792 Atomic density matrices (1259.80113s) started
T12 << 1462286127.14693809 Atomic density matrices (1263.16870s) stopped
T12 >> 1462286127.14697099 Multipole moments (4.19982s) started
T12 << 1462286127.16052508 Multipole moments (4.21338s) stopped
T12 >> 1462286127.16054893 Normalize (2.63277s) started
T12 << 1462286127.16837597 Normalize (2.64060s) stopped
T12 >> 1462286127.16842198 Mix (164.40378s) started
T12 << 1462286127.59568191 Mix (164.83104s) stopped
T12 << 1462286127.59573102 Density (6362.72403s) stopped
T12 >> 1462286127.59575605 Hamiltonian (18307.87304s) started
T12 >> 1462286127.59576988 vbar (10.52378s) started
T12 << 1462286127.62793303 vbar (10.55594s) stopped
T12 >> 1462286127.62809491 XC 3D grid (10958.49565s) started
T12 >> 1462286128.09575200 van der Waals (10587.35525s) started
T12 >> 1462286128.20793509 semilocal (2232.40185s) started
T12 << 1462286133.99266601 semilocal (2238.18658s) stopped
T12 >> 1462286134.07684207 redistribute (1141.37177s) started
T12 << 1462286135.09750795 redistribute (1142.39244s) stopped
T12 >> 1462286135.09755111 libvdwxc nonlocal (7139.74066s) started
T12 << 1462286153.29563594 libvdwxc nonlocal (7157.93874s) stopped
T12 >> 1462286153.29569888 redistribute (1142.39247s) started
T12 << 1462286156.18891406 redistribute (1145.28569s) stopped
T12 << 1462286156.18993998 van der Waals (10615.44944s) stopped
T12 << 1462286156.65170503 XC 3D grid (10987.51926s) stopped
T12 >> 1462286156.65174508 Poisson (2408.61192s) started
T12 << 1462286163.77120209 Poisson (2415.73138s) stopped
T12 >> 1462286163.77131701 Hartree integrate/restrict (142.70960s) started
T12 << 1462286163.81325603 Hartree integrate/restrict (142.75154s) stopped
T12 >> 1462286163.81332207 Hartree integrate/restrict (142.75158s) started
T12 << 1462286164.12949800 Hartree integrate/restrict (143.06776s) stopped
T12 >> 1462286164.12960005 Atomic (924.62316s) started
T12 >> 1462286164.13134503 XC Correction (0.01277s) started
T12 << 1462286164.13136101 XC Correction (0.01279s) stopped
T12 << 1462286166.51777005 Atomic (927.01133s) stopped
T12 >> 1462286166.51792693 Communicate (3862.74346s) started
T12 << 1462286182.45106506 Communicate (3878.67660s) stopped
T12 << 1462286182.45109391 Hamiltonian (18362.72838s) stopped
T12 >> 1462286182.45111609 LCAO eigensolver (26501.86249s) started
T12 >> 1462286182.45112896 Potential matrix (399.20683s) started
T12 << 1462286183.41626191 Potential matrix (400.17196s) stopped
T12 >> 1462286183.41633391 DistributedAtomicCorrection (160.38332s) started
T12 << 1462286183.81776404 DistributedAtomicCorrection (160.78475s) stopped
T12 >> 1462286183.81781602 Distribute overlap matrix (2949.70582s) started
T12 >> 1462286183.81785011 blocked summation (1652.42121s) started
T12 << 1462286188.19070506 blocked summation (1656.79406s) stopped
T12 >> 1462286188.20054102 Scalapack redistribute (1293.21744s) started
T12 << 1462286191.64737010 Scalapack redistribute (1296.66427s) stopped
T12 << 1462286191.64744592 Distribute overlap matrix (2957.53545s) stopped
T12 >> 1462286191.65194702 Blacs Orbital Layouts (22266.02759s) started
T12 >> 1462286191.66095209 General diagonalize (22175.70876s) started
T12 << 1462286243.95436001 General diagonalize (22228.00217s) stopped
T12 >> 1462286243.95444798 Redistribute coefs (3.32180s) started
T12 << 1462286243.96174002 Redistribute coefs (3.32909s) stopped
T12 >> 1462286243.96182203 Send coefs to domains (83.26341s) started
T12 << 1462286244.05370092 Send coefs to domains (83.35529s) stopped
T12 << 1462286244.05409098 Blacs Orbital Layouts (22318.42973s) stopped
T12 >> 1462286244.05411911 Calculate projections (724.50944s) started
T12 << 1462286245.82359505 Calculate projections (726.27891s) stopped
T12 << 1462286245.82395792 LCAO eigensolver (26565.23533s) stopped
T12 >> 1462286248.99968791 Density (6362.72404s) started
T12 >> 1462286248.99970388 Pseudo density (4927.84049s) started
T12 >> 1462286249.00255489 Calculate density matrix (4631.11507s) started
T12 << 1462286260.85280991 Calculate density matrix (4642.96532s) stopped
T12 >> 1462286260.85285807 Construct density (288.89666s) started
T12 << 1462286261.60720706 Construct density (289.65101s) stopped
T12 >> 1462286261.62297392 Symmetrize density (0.03285s) started
T12 << 1462286261.62303805 Symmetrize density (0.03291s) stopped
T12 << 1462286261.62544799 Pseudo density (4940.46624s) stopped
T12 >> 1462286261.62550497 Atomic density matrices (1263.16873s) started
T12 << 1462286264.98269510 Atomic density matrices (1266.52592s) stopped
T12 >> 1462286264.98272705 Multipole moments (4.21339s) started
T12 << 1462286264.99623203 Multipole moments (4.22690s) stopped
T12 >> 1462286264.99626398 Normalize (2.64063s) started
T12 << 1462286265.00309110 Normalize (2.64746s) stopped
T12 >> 1462286265.00314093 Mix (164.83109s) started
T12 << 1462286265.41363502 Mix (165.24158s) stopped
T12 << 1462286265.41369200 Density (6379.13805s) stopped
T12 >> 1462286265.41371894 Hamiltonian (18362.72839s) started
T12 >> 1462286265.41373301 vbar (10.55603s) started
T12 << 1462286265.44214201 vbar (10.58444s) stopped
T12 >> 1462286265.44233990 XC 3D grid (10987.51930s) started
T12 >> 1462286265.91257310 van der Waals (10615.44946s) started
T12 >> 1462286266.02863503 semilocal (2238.18667s) started
T12 << 1462286271.81996012 semilocal (2243.97800s) stopped
T12 >> 1462286271.89608407 redistribute (1145.28574s) started
T12 << 1462286272.87254906 redistribute (1146.26221s) stopped
T12 >> 1462286272.87259197 libvdwxc nonlocal (7157.93879s) started
T12 << 1462286291.29138398 libvdwxc nonlocal (7176.35758s) stopped
T12 >> 1462286291.29144692 redistribute (1146.26224s) started
T12 << 1462286293.02001691 redistribute (1147.99081s) stopped
T12 << 1462286293.02107811 van der Waals (10642.55797s) stopped
T12 << 1462286293.48446894 XC 3D grid (11015.56143s) stopped
T12 >> 1462286293.48451400 Poisson (2415.73146s) started
T12 << 1462286300.67290998 Poisson (2422.91986s) stopped
T12 >> 1462286300.67300701 Hartree integrate/restrict (143.06781s) started
T12 << 1462286300.71652794 Hartree integrate/restrict (143.11133s) stopped
T12 >> 1462286300.71662211 Hartree integrate/restrict (143.11140s) started
T12 << 1462286301.02611589 Hartree integrate/restrict (143.42089s) stopped
T12 >> 1462286301.02621508 Atomic (927.01135s) started
T12 >> 1462286301.02792406 XC Correction (0.01280s) started
T12 << 1462286301.02794099 XC Correction (0.01281s) stopped
T12 << 1462286303.44942904 Atomic (929.43457s) stopped
T12 >> 1462286303.44957304 Communicate (3878.67662s) started
T12 << 1462286318.48548794 Communicate (3893.71254s) stopped
T12 << 1462286318.48552489 Hamiltonian (18415.80020s) stopped
T12 >> 1462286318.48555112 LCAO eigensolver (26565.23535s) started
T12 >> 1462286318.48556399 Potential matrix (400.17200s) started
T12 << 1462286319.45141792 Potential matrix (401.13786s) stopped
T12 >> 1462286319.45148706 DistributedAtomicCorrection (160.78480s) started
T12 << 1462286319.85035300 DistributedAtomicCorrection (161.18366s) stopped
T12 >> 1462286319.85039902 Distribute overlap matrix (2957.53546s) started
T12 >> 1462286319.85043192 blocked summation (1656.79409s) started
T12 << 1462286324.22554588 blocked summation (1661.16921s) stopped
T12 >> 1462286324.23534799 Scalapack redistribute (1296.66431s) started
T12 << 1462286327.69222403 Scalapack redistribute (1300.12119s) stopped
T12 << 1462286327.69230509 Distribute overlap matrix (2965.37737s) stopped
T12 >> 1462286327.69707990 Blacs Orbital Layouts (22318.42975s) started
T12 >> 1462286327.70568991 General diagonalize (22228.00224s) started
T12 << 1462286380.03080606 General diagonalize (22280.32736s) stopped
T12 >> 1462286380.03085303 Redistribute coefs (3.32916s) started
T12 << 1462286380.03785300 Redistribute coefs (3.33616s) stopped
T12 >> 1462286380.03793812 Send coefs to domains (83.35532s) started
T12 << 1462286380.25219297 Send coefs to domains (83.56958s) stopped
T12 << 1462286380.25259399 Blacs Orbital Layouts (22370.98526s) stopped
T12 >> 1462286380.25262189 Calculate projections (726.27897s) started
T12 << 1462286382.02502799 Calculate projections (728.05138s) stopped
T12 << 1462286382.02538705 LCAO eigensolver (26628.77519s) stopped
T12 >> 1462286385.19697309 Density (6379.13806s) started
T12 >> 1462286385.19698906 Pseudo density (4940.46628s) started
T12 >> 1462286385.20050001 Calculate density matrix (4642.96536s) started
T12 << 1462286397.04092789 Calculate density matrix (4654.80578s) stopped
T12 >> 1462286397.04097605 Construct density (289.65106s) started
T12 << 1462286397.79533696 Construct density (290.40542s) stopped
T12 >> 1462286397.81211901 Symmetrize density (0.03293s) started
T12 << 1462286397.81218195 Symmetrize density (0.03299s) stopped
T12 << 1462286397.81458902 Pseudo density (4953.08388s) stopped
T12 >> 1462286397.81464601 Atomic density matrices (1266.52594s) started
T12 << 1462286401.12929797 Atomic density matrices (1269.84059s) stopped
T12 >> 1462286401.12932992 Multipole moments (4.22692s) started
T12 << 1462286401.14285493 Multipole moments (4.24044s) stopped
T12 >> 1462286401.14288497 Normalize (2.64749s) started
T12 << 1462286401.14967799 Normalize (2.65429s) stopped
T12 >> 1462286401.14971995 Mix (165.24164s) started
T12 << 1462286401.57735300 Mix (165.66927s) stopped
T12 << 1462286401.57741690 Density (6395.51851s) stopped
T12 >> 1462286401.57744789 Hamiltonian (18415.80021s) started
T12 >> 1462286401.57746196 vbar (10.58455s) started
T12 << 1462286401.60612988 vbar (10.61322s) stopped
T12 >> 1462286401.60633898 XC 3D grid (11015.56146s) started
T12 >> 1462286402.07434511 van der Waals (10642.55800s) started
T12 >> 1462286402.19040394 semilocal (2243.97812s) started
T12 << 1462286407.90479398 semilocal (2249.69251s) stopped
T12 >> 1462286407.98177910 redistribute (1147.99089s) started
T12 << 1462286409.05597591 redistribute (1149.06509s) stopped
T12 >> 1462286409.05601907 libvdwxc nonlocal (7176.35763s) started
T12 << 1462286427.55884290 libvdwxc nonlocal (7194.86045s) stopped
T12 >> 1462286427.55890608 redistribute (1149.06512s) started
T12 << 1462286429.32154894 redistribute (1150.82776s) stopped
T12 << 1462286429.32259393 van der Waals (10669.80624s) stopped
T12 << 1462286429.78409505 XC 3D grid (11043.73922s) stopped
T12 >> 1462286429.78415489 Poisson (2422.91994s) started
T12 << 1462286435.53810692 Poisson (2428.67389s) stopped
T12 >> 1462286435.53821993 Hartree integrate/restrict (143.42094s) started
T12 << 1462286435.58669305 Hartree integrate/restrict (143.46942s) stopped
T12 >> 1462286435.58680892 Hartree integrate/restrict (143.46950s) started
T12 << 1462286435.89577699 Hartree integrate/restrict (143.77846s) stopped
T12 >> 1462286435.89588499 Atomic (929.43459s) started
T12 >> 1462286435.89766002 XC Correction (0.01282s) started
T12 << 1462286435.89768600 XC Correction (0.01285s) stopped
T12 << 1462286438.31432891 Atomic (931.85303s) stopped
T12 >> 1462286438.31447506 Communicate (3893.71256s) started
T12 << 1462286452.96494198 Communicate (3908.36303s) stopped
T12 << 1462286452.96497989 Hamiltonian (18467.18774s) stopped
T12 >> 1462286452.96500492 LCAO eigensolver (26628.77521s) started
T12 >> 1462286452.96501803 Potential matrix (401.13790s) started
T12 << 1462286453.92075896 Potential matrix (402.09364s) stopped
T12 >> 1462286453.92082500 DistributedAtomicCorrection (161.18370s) started
T12 << 1462286454.32697392 DistributedAtomicCorrection (161.58985s) stopped
T12 >> 1462286454.32701898 Distribute overlap matrix (2965.37738s) started
T12 >> 1462286454.32705307 blocked summation (1661.16924s) started
T12 << 1462286458.66777992 blocked summation (1665.50997s) stopped
T12 >> 1462286458.67825794 Scalapack redistribute (1300.12125s) started
T12 << 1462286462.05572510 Scalapack redistribute (1303.49871s) stopped
T12 << 1462286462.05582905 Distribute overlap matrix (2973.10619s) stopped
T12 >> 1462286462.06023693 Blacs Orbital Layouts (22370.98528s) started
T12 >> 1462286462.06901598 General diagonalize (22280.32740s) started
T12 << 1462286516.83650804 General diagonalize (22335.09489s) stopped
T12 >> 1462286516.83658791 Redistribute coefs (3.33622s) started
T12 << 1462286516.84377599 Redistribute coefs (3.34341s) stopped
T12 >> 1462286516.84386396 Send coefs to domains (83.56961s) started
T12 << 1462286516.99250388 Send coefs to domains (83.71825s) stopped
T12 << 1462286516.99297309 Blacs Orbital Layouts (22425.91802s) stopped
T12 >> 1462286516.99300098 Calculate projections (728.05143s) started
T12 << 1462286518.77336502 Calculate projections (729.83180s) stopped
T12 << 1462286518.77372098 LCAO eigensolver (26694.58392s) stopped
T12 >> 1462286521.93748403 Density (6395.51852s) started
T12 >> 1462286521.93749905 Pseudo density (4953.08393s) started
T12 >> 1462286521.94043398 Calculate density matrix (4654.80582s) started
T12 << 1462286533.82104111 Calculate density matrix (4666.68642s) stopped
T12 >> 1462286533.82109094 Construct density (290.40547s) started
T12 << 1462286534.57516003 Construct density (291.15954s) stopped
T12 >> 1462286534.59123707 Symmetrize density (0.03301s) started
T12 << 1462286534.59130597 Symmetrize density (0.03307s) stopped
T12 << 1462286534.59372211 Pseudo density (4965.74015s) stopped
T12 >> 1462286534.59377789 Atomic density matrices (1269.84062s) started
T12 << 1462286537.95749998 Atomic density matrices (1273.20434s) stopped
T12 >> 1462286537.95753288 Multipole moments (4.24046s) started
T12 << 1462286537.97098398 Multipole moments (4.25391s) stopped
T12 >> 1462286537.97101593 Normalize (2.65432s) started
T12 << 1462286537.97785497 Normalize (2.66116s) stopped
T12 >> 1462286537.97789407 Mix (165.66933s) started
T12 << 1462286538.43251300 Mix (166.12395s) stopped
T12 << 1462286538.43256807 Density (6412.01360s) stopped
T12 >> 1462286538.43259406 Hamiltonian (18467.18775s) started
T12 >> 1462286538.43260789 vbar (10.61334s) started
T12 << 1462286538.45406294 vbar (10.63479s) stopped
T12 >> 1462286538.45414090 XC 3D grid (11043.73927s) started
T12 >> 1462286538.97554994 van der Waals (10669.80627s) started
T12 >> 1462286539.09252691 semilocal (2249.69259s) started
T12 << 1462286544.86350107 semilocal (2255.46356s) stopped
T12 >> 1462286544.94358706 redistribute (1150.82782s) started
T12 << 1462286545.96047902 redistribute (1151.84471s) stopped
T12 >> 1462286545.96052194 libvdwxc nonlocal (7194.86050s) started
T12 << 1462286564.65309191 libvdwxc nonlocal (7213.55307s) stopped
T12 >> 1462286564.65315795 redistribute (1151.84475s) started
T12 << 1462286567.50759006 redistribute (1154.69918s) stopped
T12 << 1462286567.50870109 van der Waals (10698.33942s) stopped
T12 << 1462286567.97109604 XC 3D grid (11073.25622s) stopped
T12 >> 1462286567.97113490 Poisson (2428.67398s) started
T12 << 1462286572.33027005 Poisson (2433.03311s) stopped
T12 >> 1462286572.33033991 Hartree integrate/restrict (143.77852s) started
T12 << 1462286572.37912107 Hartree integrate/restrict (143.82730s) stopped
T12 >> 1462286572.37916303 Hartree integrate/restrict (143.82733s) started
T12 << 1462286572.69493794 Hartree integrate/restrict (144.14310s) stopped
T12 >> 1462286572.69503307 Atomic (931.85305s) started
T12 >> 1462286572.69682407 XC Correction (0.01286s) started
T12 << 1462286572.69684792 XC Correction (0.01289s) stopped
T12 << 1462286575.11277199 Atomic (934.27079s) stopped
T12 >> 1462286575.11291289 Communicate (3908.36305s) started
T12 << 1462286589.76634407 Communicate (3923.01648s) stopped
T12 << 1462286589.76638293 Hamiltonian (18518.52154s) stopped
T12 >> 1462286589.76641011 LCAO eigensolver (26694.58394s) started
T12 >> 1462286589.76642299 Potential matrix (402.09367s) started
T12 << 1462286590.73647594 Potential matrix (403.06373s) stopped
T12 >> 1462286590.73656106 DistributedAtomicCorrection (161.58989s) started
T12 << 1462286591.14728308 DistributedAtomicCorrection (162.00061s) stopped
T12 >> 1462286591.14733100 Distribute overlap matrix (2973.10620s) started
T12 >> 1462286591.14736509 blocked summation (1665.51000s) started
T12 << 1462286595.40173602 blocked summation (1669.76438s) stopped
T12 >> 1462286595.41081595 Scalapack redistribute (1303.49877s) started
T12 << 1462286598.82182407 Scalapack redistribute (1306.90978s) stopped
T12 << 1462286598.82191706 Distribute overlap matrix (2980.78079s) stopped
T12 >> 1462286598.82717395 Blacs Orbital Layouts (22425.91804s) started
T12 >> 1462286598.83594799 General diagonalize (22335.09496s) started
T12 << 1462286651.05019808 General diagonalize (22387.30921s) stopped
T12 >> 1462286651.05026698 Redistribute coefs (3.34348s) started
T12 << 1462286651.05747509 Redistribute coefs (3.35069s) stopped
T12 >> 1462286651.05756402 Send coefs to domains (83.71828s) started
T12 << 1462286651.15393806 Send coefs to domains (83.81466s) stopped
T12 << 1462286651.15436101 Blacs Orbital Layouts (22478.24523s) stopped
T12 >> 1462286651.15438795 Calculate projections (729.83185s) started
T12 << 1462286652.92307496 Calculate projections (731.60053s) stopped
T12 << 1462286652.92326307 LCAO eigensolver (26757.74079s) stopped
T12 >> 1462286656.09631896 Density (6412.01362s) started
T12 >> 1462286656.09633493 Pseudo density (4965.74020s) started
T12 >> 1462286656.09925103 Calculate density matrix (4666.68646s) started
T12 << 1462286667.91237402 Calculate density matrix (4678.49958s) stopped
T12 >> 1462286667.91242290 Construct density (291.15959s) started
T12 << 1462286668.66856909 Construct density (291.91573s) stopped
T12 >> 1462286668.68476105 Symmetrize density (0.03309s) started
T12 << 1462286668.68483090 Symmetrize density (0.03316s) stopped
T12 << 1462286668.68724394 Pseudo density (4978.33111s) stopped
T12 >> 1462286668.68729997 Atomic density matrices (1273.20436s) started
T12 << 1462286672.07001805 Atomic density matrices (1276.58708s) stopped
T12 >> 1462286672.07005095 Multipole moments (4.25392s) started
T12 << 1462286672.08345294 Multipole moments (4.26733s) stopped
T12 >> 1462286672.08348489 Normalize (2.66118s) started
T12 << 1462286672.09013605 Normalize (2.66784s) stopped
T12 >> 1462286672.09017301 Mix (166.12400s) started
T12 << 1462286672.51785302 Mix (166.55168s) stopped
T12 << 1462286672.51792407 Density (6428.43522s) stopped
T12 >> 1462286672.51795411 Hamiltonian (18518.52156s) started
T12 >> 1462286672.51797009 vbar (10.63484s) started
T12 << 1462286672.54720211 vbar (10.66407s) stopped
T12 >> 1462286672.54727006 XC 3D grid (11073.25625s) started
T12 >> 1462286673.02598190 van der Waals (10698.33944s) started
T12 >> 1462286673.14124298 semilocal (2255.46363s) started
T12 << 1462286678.85644698 semilocal (2261.17883s) stopped
T12 >> 1462286678.93256807 redistribute (1154.69924s) started
T12 << 1462286680.02467299 redistribute (1155.79134s) stopped
T12 >> 1462286680.02471709 libvdwxc nonlocal (7213.55312s) started
T12 << 1462286698.52838492 libvdwxc nonlocal (7232.05679s) stopped
T12 >> 1462286698.52845001 redistribute (1155.79137s) started
T12 << 1462286701.09537601 redistribute (1158.35830s) stopped
T12 << 1462286701.09647894 van der Waals (10726.40994s) stopped
T12 << 1462286701.55895805 XC 3D grid (11102.26794s) stopped
T12 >> 1462286701.55900097 Poisson (2433.03317s) started
T12 << 1462286705.89528894 Poisson (2437.36945s) stopped
T12 >> 1462286705.89536500 Hartree integrate/restrict (144.14316s) started
T12 << 1462286705.93899107 Hartree integrate/restrict (144.18678s) stopped
T12 >> 1462286705.93904209 Hartree integrate/restrict (144.18681s) started
T12 << 1462286706.25490594 Hartree integrate/restrict (144.50268s) stopped
T12 >> 1462286706.25501204 Atomic (934.27082s) started
T12 >> 1462286706.25673103 XC Correction (0.01290s) started
T12 << 1462286706.25674701 XC Correction (0.01291s) stopped
T12 << 1462286708.67198396 Atomic (936.68779s) stopped
T12 >> 1462286708.67211103 Communicate (3923.01651s) started
T12 << 1462286723.35211492 Communicate (3937.69651s) stopped
T12 << 1462286723.35215497 Hamiltonian (18569.35576s) stopped
T12 >> 1462286723.35218096 LCAO eigensolver (26757.74081s) started
T12 >> 1462286723.35219502 Potential matrix (403.06378s) started
T12 << 1462286724.32500505 Potential matrix (404.03659s) stopped
T12 >> 1462286724.32509398 DistributedAtomicCorrection (162.00065s) started
T12 << 1462286724.73540592 DistributedAtomicCorrection (162.41096s) stopped
T12 >> 1462286724.73545289 Distribute overlap matrix (2980.78080s) started
T12 >> 1462286724.73548794 blocked summation (1669.76441s) started
T12 << 1462286729.01543188 blocked summation (1674.04435s) stopped
T12 >> 1462286729.02477503 Scalapack redistribute (1306.90984s) started
T12 << 1462286732.48596597 Scalapack redistribute (1310.37103s) stopped
T12 << 1462286732.48606491 Distribute overlap matrix (2988.53141s) stopped
T12 >> 1462286732.49063301 Blacs Orbital Layouts (22478.24524s) started
T12 >> 1462286732.49959397 General diagonalize (22387.30927s) started
T12 << 1462286786.80735898 General diagonalize (22441.61703s) stopped
T12 >> 1462286786.80740499 Redistribute coefs (3.35076s) started
T12 << 1462286786.81502700 Redistribute coefs (3.35838s) stopped
T12 >> 1462286786.81510901 Send coefs to domains (83.81469s) started
T12 << 1462286787.11524200 Send coefs to domains (84.11482s) stopped
T12 << 1462286787.11577392 Blacs Orbital Layouts (22532.87038s) stopped
T12 >> 1462286787.11580491 Calculate projections (731.60058s) started
T12 << 1462286788.88505912 Calculate projections (733.36984s) stopped
T12 << 1462286788.88524008 LCAO eigensolver (26823.27387s) stopped
T12 >> 1462286792.05903697 Density (6428.43523s) started
T12 >> 1462286792.05905199 Pseudo density (4978.33115s) started
T12 >> 1462286792.06214499 Calculate density matrix (4678.49961s) started
T12 << 1462286803.85741091 Calculate density matrix (4690.29488s) stopped
T12 >> 1462286803.85745907 Construct density (291.91579s) started
T12 << 1462286804.61351395 Construct density (292.67184s) stopped
T12 >> 1462286804.63086700 Symmetrize density (0.03318s) started
T12 << 1462286804.63092995 Symmetrize density (0.03324s) stopped
T12 << 1462286804.63335299 Pseudo density (4990.90545s) stopped
T12 >> 1462286804.63343811 Atomic density matrices (1276.58711s) started
T12 << 1462286807.98120809 Atomic density matrices (1279.93488s) stopped
T12 >> 1462286807.98124099 Multipole moments (4.26734s) started
T12 << 1462286807.99468088 Multipole moments (4.28078s) stopped
T12 >> 1462286807.99471211 Normalize (2.66786s) started
T12 << 1462286808.00237703 Normalize (2.67553s) stopped
T12 >> 1462286808.00242209 Mix (166.55175s) started
T12 << 1462286808.45798612 Mix (167.00731s) stopped
T12 << 1462286808.45804405 Density (6444.83424s) stopped
T12 >> 1462286808.45807004 Hamiltonian (18569.35577s) started
T12 >> 1462286808.45808506 vbar (10.66411s) started
T12 << 1462286808.49005795 vbar (10.69608s) stopped
T12 >> 1462286808.49021292 XC 3D grid (11102.26798s) started
T12 >> 1462286808.95697308 van der Waals (10726.40997s) started
T12 >> 1462286809.07141590 semilocal (2261.17893s) started
T12 << 1462286814.90347409 semilocal (2267.01099s) stopped
T12 >> 1462286814.98086596 redistribute (1158.35836s) started
T12 << 1462286815.95687199 redistribute (1159.33436s) stopped
T12 >> 1462286815.95691609 libvdwxc nonlocal (7232.05684s) started
T12 << 1462286834.57171392 libvdwxc nonlocal (7250.67163s) stopped
T12 >> 1462286834.57177806 redistribute (1159.33439s) started
T12 << 1462286837.50369310 redistribute (1162.26631s) stopped
T12 << 1462286837.50478005 van der Waals (10754.95777s) stopped
T12 << 1462286837.96867490 XC 3D grid (11131.74644s) stopped
T12 >> 1462286837.96873498 Poisson (2437.36951s) started
T12 << 1462286842.40811110 Poisson (2441.80888s) stopped
T12 >> 1462286842.40824890 Hartree integrate/restrict (144.50273s) started
T12 << 1462286842.45319009 Hartree integrate/restrict (144.54768s) stopped
T12 >> 1462286842.45329309 Hartree integrate/restrict (144.54775s) started
T12 << 1462286842.76581597 Hartree integrate/restrict (144.86027s) stopped
T12 >> 1462286842.76591301 Atomic (936.68781s) started
T12 >> 1462286842.76764393 XC Correction (0.01293s) started
T12 << 1462286842.76766896 XC Correction (0.01295s) stopped
T12 << 1462286845.18132997 Atomic (939.10323s) stopped
T12 >> 1462286845.18144488 Communicate (3937.69654s) started
T12 << 1462286859.69438601 Communicate (3952.20948s) stopped
T12 << 1462286859.69442010 Hamiltonian (18620.59212s) stopped
T12 >> 1462286859.69444489 LCAO eigensolver (26823.27389s) started
T12 >> 1462286859.69445801 Potential matrix (404.03664s) started
T12 << 1462286860.66502190 Potential matrix (405.00720s) stopped
T12 >> 1462286860.66511106 DistributedAtomicCorrection (162.41100s) started
T12 << 1462286861.07300210 DistributedAtomicCorrection (162.81889s) stopped
T12 >> 1462286861.07304811 Distribute overlap matrix (2988.53143s) started
T12 >> 1462286861.07308412 blocked summation (1674.04439s) started
T12 << 1462286865.35180712 blocked summation (1678.32311s) stopped
T12 >> 1462286865.36070800 Scalapack redistribute (1310.37108s) started
T12 << 1462286868.79667807 Scalapack redistribute (1313.80705s) stopped
T12 << 1462286868.79677892 Distribute overlap matrix (2996.25516s) stopped
T12 >> 1462286868.80166411 Blacs Orbital Layouts (22532.87040s) started
T12 >> 1462286868.81102300 General diagonalize (22441.61707s) started
T12 << 1462286923.86783600 General diagonalize (22496.67389s) stopped
T12 >> 1462286923.86788011 Redistribute coefs (3.35845s) started
T12 << 1462286923.87505102 Redistribute coefs (3.36562s) stopped
T12 >> 1462286923.87512112 Send coefs to domains (84.11486s) started
T12 << 1462286923.97658396 Send coefs to domains (84.21632s) stopped
T12 << 1462286923.97703791 Blacs Orbital Layouts (22588.04578s) stopped
T12 >> 1462286923.97706509 Calculate projections (733.36989s) started
T12 << 1462286925.75054598 Calculate projections (735.14337s) stopped
T12 << 1462286925.75073195 LCAO eigensolver (26889.33018s) stopped
T12 >> 1462286928.93252206 Density (6444.83426s) started
T12 >> 1462286928.93253708 Pseudo density (4990.90553s) started
T12 >> 1462286928.93548298 Calculate density matrix (4690.29491s) started
T12 << 1462286940.76186204 Calculate density matrix (4702.12129s) stopped
T12 >> 1462286940.76190996 Construct density (292.67190s) started
T12 << 1462286941.51882195 Construct density (293.42881s) stopped
T12 >> 1462286941.53611994 Symmetrize density (0.03326s) started
T12 << 1462286941.53618598 Symmetrize density (0.03332s) stopped
T12 << 1462286941.53860402 Pseudo density (5003.51159s) stopped
T12 >> 1462286941.53866196 Atomic density matrices (1279.93490s) started
T12 << 1462286944.99515700 Atomic density matrices (1283.39139s) stopped
T12 >> 1462286944.99519110 Multipole moments (4.28080s) started
T12 << 1462286945.00870204 Multipole moments (4.29431s) stopped
T12 >> 1462286945.00873303 Normalize (2.67556s) started
T12 << 1462286945.01555705 Normalize (2.68238s) stopped
T12 >> 1462286945.01559711 Mix (167.00737s) started
T12 << 1462286945.43827391 Mix (167.43005s) stopped
T12 << 1462286945.43832302 Density (6461.34006s) stopped
T12 >> 1462286945.43834996 Hamiltonian (18620.59213s) started
T12 >> 1462286945.43836498 vbar (10.69617s) started
T12 << 1462286945.46859789 vbar (10.72640s) stopped
T12 >> 1462286945.46873212 XC 3D grid (11131.74649s) started
T12 >> 1462286945.94919205 van der Waals (10754.95781s) started
T12 >> 1462286946.06461191 semilocal (2267.01106s) started
T12 << 1462286951.88239408 semilocal (2272.82884s) stopped
T12 >> 1462286951.95481300 redistribute (1162.26637s) started
T12 << 1462286952.94411612 redistribute (1163.25567s) stopped
T12 >> 1462286952.94415903 libvdwxc nonlocal (7250.67168s) started
T12 << 1462286972.12827802 libvdwxc nonlocal (7269.85580s) stopped
T12 >> 1462286972.12832594 redistribute (1163.25570s) started
T12 << 1462286974.95807290 redistribute (1166.08545s) stopped
T12 << 1462286974.95901799 van der Waals (10783.96763s) stopped
T12 << 1462286975.42544198 XC 3D grid (11161.70320s) stopped
T12 >> 1462286975.42549801 Poisson (2441.80900s) started
T12 << 1462286979.91789293 Poisson (2446.30139s) stopped
T12 >> 1462286979.91795897 Hartree integrate/restrict (144.86032s) started
T12 << 1462286979.96814895 Hartree integrate/restrict (144.91051s) stopped
T12 >> 1462286979.96819091 Hartree integrate/restrict (144.91054s) started
T12 << 1462286980.30953002 Hartree integrate/restrict (145.25188s) stopped
T12 >> 1462286980.30963206 Atomic (939.10325s) started
T12 >> 1462286980.31131411 XC Correction (0.01296s) started
T12 << 1462286980.31133008 XC Correction (0.01298s) stopped
T12 << 1462286982.73307610 Atomic (941.52670s) stopped
T12 >> 1462286982.73317909 Communicate (3952.20950s) started
T12 << 1462286997.22803593 Communicate (3966.70436s) stopped
T12 << 1462286997.22807288 Hamiltonian (18672.38186s) stopped
T12 >> 1462286997.22809696 LCAO eigensolver (26889.33019s) started
T12 >> 1462286997.22811007 Potential matrix (405.00726s) started
T12 << 1462286998.19801903 Potential matrix (405.97717s) stopped
T12 >> 1462286998.19810295 DistributedAtomicCorrection (162.81893s) started
T12 << 1462286998.61081195 DistributedAtomicCorrection (163.23164s) stopped
T12 >> 1462286998.61085796 Distribute overlap matrix (2996.25517s) started
T12 >> 1462286998.61089396 blocked summation (1678.32314s) started
T12 << 1462287002.85302901 blocked summation (1682.56528s) stopped
T12 >> 1462287002.86252594 Scalapack redistribute (1313.80712s) started
T12 << 1462287006.24685097 Scalapack redistribute (1317.19144s) stopped
T12 << 1462287006.24694109 Distribute overlap matrix (3003.89125s) stopped
T12 >> 1462287006.25175691 Blacs Orbital Layouts (22588.04580s) started
T12 >> 1462287006.26047397 General diagonalize (22496.67392s) started
T12 << 1462287061.02402496 General diagonalize (22551.43747s) stopped
T12 >> 1462287061.02407098 Redistribute coefs (3.36568s) started
T12 << 1462287061.03113103 Redistribute coefs (3.37274s) stopped
T12 >> 1462287061.03120399 Send coefs to domains (84.21635s) started
T12 << 1462287061.42165399 Send coefs to domains (84.60680s) stopped
T12 << 1462287061.42212796 Blacs Orbital Layouts (22643.21617s) stopped
T12 >> 1462287061.42215610 Calculate projections (735.14343s) started
T12 << 1462287063.19622707 Calculate projections (736.91750s) stopped
T12 << 1462287063.19643998 LCAO eigensolver (26955.29854s) stopped
T12 >> 1462287066.38171196 Density (6461.34007s) started
T12 >> 1462287066.38172793 Pseudo density (5003.51164s) started
T12 >> 1462287066.38473511 Calculate density matrix (4702.12132s) started
T12 << 1462287078.20138192 Calculate density matrix (4713.93797s) stopped
T12 >> 1462287078.20142889 Construct density (293.42886s) started
T12 << 1462287078.95837498 Construct density (294.18581s) stopped
T12 >> 1462287078.97464609 Symmetrize density (0.03334s) started
T12 << 1462287078.97471189 Symmetrize density (0.03341s) stopped
T12 << 1462287078.97714400 Pseudo density (5016.10706s) stopped
T12 >> 1462287078.97720289 Atomic density matrices (1283.39142s) started
T12 << 1462287082.32751799 Atomic density matrices (1286.74173s) stopped
T12 >> 1462287082.32755208 Multipole moments (4.29433s) started
T12 << 1462287082.34041905 Multipole moments (4.30719s) stopped
T12 >> 1462287082.34045005 Normalize (2.68241s) started
T12 << 1462287082.34706593 Normalize (2.68903s) stopped
T12 >> 1462287082.34710312 Mix (167.43009s) started
T12 << 1462287082.80753493 Mix (167.89053s) stopped
T12 << 1462287082.80757499 Density (6477.76593s) stopped
T12 >> 1462287082.80759811 Hamiltonian (18672.38187s) started
T12 >> 1462287082.80761099 vbar (10.72649s) started
T12 << 1462287082.83244896 vbar (10.75133s) stopped
T12 >> 1462287082.83257103 XC 3D grid (11161.70325s) started
T12 >> 1462287083.33437490 van der Waals (10783.96766s) started
T12 >> 1462287083.45140290 semilocal (2272.82892s) started
T12 << 1462287089.28952789 semilocal (2278.66705s) stopped
T12 >> 1462287089.35948706 redistribute (1166.08550s) started
T12 << 1462287090.32409096 redistribute (1167.05011s) stopped
T12 >> 1462287090.32413912 libvdwxc nonlocal (7269.85584s) started
T12 << 1462287108.88291097 libvdwxc nonlocal (7288.41461s) stopped
T12 >> 1462287108.88297510 redistribute (1167.05014s) started
T12 << 1462287110.58296609 redistribute (1168.75013s) stopped
T12 << 1462287110.58382511 van der Waals (10811.21711s) stopped
T12 << 1462287111.04695296 XC 3D grid (11189.91763s) stopped
T12 >> 1462287111.04701090 Poisson (2446.30144s) started
T12 << 1462287115.39276004 Poisson (2450.64719s) stopped
T12 >> 1462287115.39284110 Hartree integrate/restrict (145.25193s) started
T12 << 1462287115.43850207 Hartree integrate/restrict (145.29759s) stopped
T12 >> 1462287115.43854403 Hartree integrate/restrict (145.29762s) started
T12 << 1462287115.74895906 Hartree integrate/restrict (145.60803s) stopped
T12 >> 1462287115.74906301 Atomic (941.52672s) started
T12 >> 1462287115.75089312 XC Correction (0.01299s) started
T12 << 1462287115.75092101 XC Correction (0.01302s) stopped
T12 << 1462287118.16647601 Atomic (943.94413s) stopped
T12 >> 1462287118.16656899 Communicate (3966.70439s) started
T12 << 1462287132.71779895 Communicate (3981.25562s) stopped
T12 << 1462287132.71783495 Hamiltonian (18722.29211s) stopped
T12 >> 1462287132.71785998 LCAO eigensolver (26955.29856s) started
T12 >> 1462287132.71787310 Potential matrix (405.97722s) started
T12 << 1462287133.68725395 Potential matrix (406.94660s) stopped
T12 >> 1462287133.68732405 DistributedAtomicCorrection (163.23168s) started
T12 << 1462287134.09327888 DistributedAtomicCorrection (163.63763s) stopped
T12 >> 1462287134.09332490 Distribute overlap matrix (3003.89127s) started
T12 >> 1462287134.09335995 blocked summation (1682.56531s) started
T12 << 1462287138.35829210 blocked summation (1686.83024s) stopped
T12 >> 1462287138.36805201 Scalapack redistribute (1317.19149s) started
T12 << 1462287141.69916010 Scalapack redistribute (1320.52260s) stopped
T12 << 1462287141.69925404 Distribute overlap matrix (3011.49719s) stopped
T12 >> 1462287141.70368290 Blacs Orbital Layouts (22643.21619s) started
T12 >> 1462287141.71216393 General diagonalize (22551.43751s) started
T12 << 1462287193.79915190 General diagonalize (22603.52450s) stopped
T12 >> 1462287193.79920602 Redistribute coefs (3.37279s) started
T12 << 1462287193.80757689 Redistribute coefs (3.38116s) stopped
T12 >> 1462287193.80762291 Send coefs to domains (84.60684s) started
T12 << 1462287194.02019191 Send coefs to domains (84.81941s) stopped
T12 << 1462287194.02068210 Blacs Orbital Layouts (22695.53319s) stopped
T12 >> 1462287194.02071190 Calculate projections (736.91758s) started
T12 << 1462287195.80010605 Calculate projections (738.69697s) stopped
T12 << 1462287195.80033994 LCAO eigensolver (27018.38104s) stopped
T12 >> 1462287198.98215604 Density (6477.76594s) started
T12 >> 1462287198.98217201 Pseudo density (5016.10710s) started
T12 >> 1462287198.98527789 Calculate density matrix (4713.93800s) started
T12 << 1462287210.81064391 Calculate density matrix (4725.76337s) stopped
T12 >> 1462287210.81070089 Construct density (294.18585s) started
T12 << 1462287211.56897902 Construct density (294.94413s) stopped
T12 >> 1462287211.58395195 Symmetrize density (0.03342s) started
T12 << 1462287211.58402610 Symmetrize density (0.03350s) stopped
T12 << 1462287211.58612299 Pseudo density (5028.71105s) stopped
T12 >> 1462287211.58619308 Atomic density matrices (1286.74176s) started
T12 << 1462287214.93658996 Atomic density matrices (1290.09216s) stopped
T12 >> 1462287214.93662810 Multipole moments (4.30721s) started
T12 << 1462287214.94946790 Multipole moments (4.32005s) stopped
T12 >> 1462287214.94950199 Normalize (2.68905s) started
T12 << 1462287214.95583510 Normalize (2.69539s) stopped
T12 >> 1462287214.95588803 Mix (167.89057s) started
T12 << 1462287215.37440300 Mix (168.30908s) stopped
T12 << 1462287215.37445688 Density (6494.15825s) stopped
T12 >> 1462287215.37448406 Hamiltonian (18722.29212s) started
T12 >> 1462287215.37449908 vbar (10.75141s) started
T12 << 1462287215.39647508 vbar (10.77338s) stopped
T12 >> 1462287215.39657092 XC 3D grid (11189.91768s) started
T12 >> 1462287215.90373206 van der Waals (10811.21714s) started
T12 >> 1462287216.01278090 semilocal (2278.66709s) started
T12 << 1462287221.72757006 semilocal (2284.38188s) stopped
T12 >> 1462287221.82087708 redistribute (1168.75020s) started
T12 << 1462287222.89584494 redistribute (1169.82516s) stopped
T12 >> 1462287222.89592004 libvdwxc nonlocal (7288.41466s) started
T12 << 1462287241.08073092 libvdwxc nonlocal (7306.59947s) stopped
T12 >> 1462287241.08079410 redistribute (1169.82522s) started
T12 << 1462287243.06527591 redistribute (1171.80970s) stopped
T12 << 1462287243.06645298 van der Waals (10838.37986s) stopped
T12 << 1462287243.52578712 XC 3D grid (11218.04689s) stopped
T12 >> 1462287243.52583790 Poisson (2450.64725s) started
T12 << 1462287246.43949103 Poisson (2453.56091s) stopped
T12 >> 1462287246.43958807 Hartree integrate/restrict (145.60809s) started
T12 << 1462287246.47785997 Hartree integrate/restrict (145.64636s) stopped
T12 >> 1462287246.47799206 Hartree integrate/restrict (145.64645s) started
T12 << 1462287246.79502892 Hartree integrate/restrict (145.96349s) stopped
T12 >> 1462287246.79513693 Atomic (943.94415s) started
T12 >> 1462287246.79704499 XC Correction (0.01303s) started
T12 << 1462287246.79706001 XC Correction (0.01304s) stopped
T12 << 1462287249.22024488 Atomic (946.36926s) stopped
T12 >> 1462287249.22034097 Communicate (3981.25564s) started
T12 << 1462287263.77025604 Communicate (3995.80555s) stopped
T12 << 1462287263.77029896 Hamiltonian (18770.68793s) stopped
T12 >> 1462287263.77032590 LCAO eigensolver (27018.38106s) started
T12 >> 1462287263.77033997 Potential matrix (406.94664s) started
T12 << 1462287264.73958802 Potential matrix (407.91589s) stopped
T12 >> 1462287264.73966908 DistributedAtomicCorrection (163.63767s) started
T12 << 1462287265.15067601 DistributedAtomicCorrection (164.04868s) stopped
T12 >> 1462287265.15072608 Distribute overlap matrix (3011.49721s) started
T12 >> 1462287265.15076590 blocked summation (1686.83027s) started
T12 << 1462287269.35447192 blocked summation (1691.03398s) stopped
T12 >> 1462287269.36396694 Scalapack redistribute (1320.52266s) started
T12 << 1462287272.86556411 Scalapack redistribute (1324.02426s) stopped
T12 << 1462287272.86569095 Distribute overlap matrix (3019.21217s) stopped
T12 >> 1462287272.86968303 Blacs Orbital Layouts (22695.53321s) started
T12 >> 1462287272.87813306 General diagonalize (22603.52454s) started
T12 << 1462287327.15597892 General diagonalize (22657.80239s) stopped
T12 >> 1462287327.15603304 Redistribute coefs (3.38120s) started
T12 << 1462287327.16413212 Redistribute coefs (3.38930s) stopped
T12 >> 1462287327.16419005 Send coefs to domains (84.81945s) started
T12 << 1462287327.50917006 Send coefs to domains (85.16443s) stopped
T12 << 1462287327.50952506 Blacs Orbital Layouts (22750.17305s) stopped
T12 >> 1462287327.50955510 Calculate projections (738.69702s) started
T12 << 1462287329.28816104 Calculate projections (740.47563s) stopped
T12 << 1462287329.28836203 LCAO eigensolver (27083.89909s) stopped
T12 << 1462287332.47585797 SCF-cycle (53698.67357s) stopped
T12 >> 1462287334.43179989 Force calculation (2194.22543s) started
T12 >> 1462287334.43189812 LCAO forces (2170.26572s) started
T12 >> 1462287334.43228197 Initial (0.00065s) started
T12 << 1462287334.43229294 Initial (0.00066s) stopped
T12 >> 1462287334.43872309 Get density matrix (1144.27531s) started
T12 << 1462287343.57767701 Get density matrix (1153.41426s) stopped
T12 >> 1462287343.57772899 Potential (172.49081s) started
T12 << 1462287349.61908507 Potential (178.53217s) stopped
T12 >> 1462287349.61914492 Get density matrix (1153.41430s) started
T12 << 1462287380.73927498 Get density matrix (1184.53443s) stopped
T12 >> 1462287380.73934197 Prepare TCI loop (60.22072s) started
T12 >> 1462287380.73991299 Get neighbors (54.63528s) started
T12 << 1462287382.75364709 Get neighbors (56.64901s) stopped
T12 >> 1462287382.75478411 broadcast dH (5.55437s) started
T12 << 1462287382.86111498 broadcast dH (5.66070s) stopped
T12 << 1462287382.86116409 Prepare TCI loop (62.34255s) stopped
T12 >> 1462287382.86118388 Not so complicated loop (3.35347s) started
T12 << 1462287382.98205900 Not so complicated loop (3.47434s) stopped
T12 >> 1462287383.10701704 Complicated loop (515.78199s) started
T12 << 1462287402.12261605 Complicated loop (534.79759s) stopped
T12 >> 1462287402.12361908 Wait for sum (270.62198s) started
T12 << 1462287411.72369504 Wait for sum (280.22206s) stopped
T12 << 1462287411.72373390 LCAO forces (2247.55755s) stopped
T12 << 1462287412.59238195 Force calculation (2272.38601s) stopped
T12 >> 1462287412.61035109 Initialization (3608.27944s) started
T12 << 1462287412.61052203 Initialization (3608.27961s) stopped
T12 >> 1462287412.61074805 Initialization (3608.27963s) started
T12 << 1462287412.61088896 Initialization (3608.27977s) stopped
T12 >> 1462287412.61102605 Initialization (3608.27978s) started
T12 << 1462287412.61115694 Initialization (3608.27991s) stopped
T12 >> 1462287432.94361591 Initialization (3608.27993s) started
T12 >> 1462287433.05897307 Basic WFS set positions (2.53065s) started
T12 >> 1462287433.05899906 Redistribute (0.01105s) started
T12 << 1462287433.05913091 Redistribute (0.01118s) stopped
T12 << 1462287433.14736295 Basic WFS set positions (2.61904s) stopped
T12 >> 1462287433.14738703 Basis functions set positions (52.11136s) started
T12 << 1462287434.99920297 Basis functions set positions (53.96318s) stopped
T12 >> 1462287434.99980807 TCI: Calculate S, T, P (437.60121s) started
T12 << 1462287450.49401999 TCI: Calculate S, T, P (453.09542s) stopped
T12 >> 1462287450.49408007 blocked summation (616.58174s) started
T12 << 1462287473.57480311 blocked summation (639.66246s) stopped
T12 >> 1462287473.58386207 Scalapack redistribute (241.03346s) started
T12 << 1462287484.15736890 Scalapack redistribute (251.60696s) stopped
T12 >> 1462287484.15844989 blocked summation (639.66251s) started
T12 << 1462287485.18026710 blocked summation (640.68432s) stopped
T12 >> 1462287485.18922210 Scalapack redistribute (251.60703s) started
T12 << 1462287485.43189311 Scalapack redistribute (251.84970s) stopped
T12 >> 1462287485.43371010 Redistribute (0.08630s) started
T12 << 1462287485.43425012 Redistribute (0.08684s) stopped
T12 >> 1462287487.15732408 Redistribute (0.08686s) started
T12 << 1462287487.15779901 Redistribute (0.08733s) stopped
T12 >> 1462287487.17960000 LCAO WFS Initialize (2199.32828s) started
T12 >> 1462287487.17964196 Density initialize from wavefunctions (412.67696s) started
T12 >> 1462287487.18425894 Calculate density matrix (286.52425s) started
T12 << 1462287497.04989696 Calculate density matrix (296.38989s) stopped
T12 >> 1462287497.04995394 Construct density (21.59724s) started
T12 << 1462287497.80735207 Construct density (22.35464s) stopped
T12 >> 1462287497.82165408 Symmetrize density (0.00230s) started
T12 << 1462287497.82173491 Symmetrize density (0.00239s) stopped
T12 << 1462287501.44576097 Density initialize from wavefunctions (426.94308s) stopped
T12 >> 1462287501.44614410 Hamiltonian (1785.72935s) started
T12 >> 1462287501.44616389 vbar (0.84847s) started
T12 << 1462287501.47566509 vbar (0.87797s) stopped
T12 >> 1462287501.47580600 XC 3D grid (861.97282s) started
T12 >> 1462287502.05590200 van der Waals (833.28651s) started
T12 >> 1462287502.17236304 semilocal (173.89379s) started
T12 << 1462287507.92573500 semilocal (179.64717s) stopped
T12 >> 1462287508.00055003 redistribute (99.60687s) started
T12 << 1462287509.04249501 redistribute (100.64881s) stopped
T12 >> 1462287509.04255509 libvdwxc nonlocal (554.05000s) started
T12 << 1462287526.92641997 libvdwxc nonlocal (571.93386s) stopped
T12 >> 1462287526.92649698 redistribute (100.64885s) started
T12 << 1462287528.85016489 redistribute (102.57252s) stopped
T12 << 1462287528.85122991 van der Waals (860.08183s) stopped
T12 << 1462287529.32028794 XC 3D grid (889.81730s) stopped
T12 >> 1462287529.32035708 Poisson (465.36531s) started
T12 << 1462287543.77013707 Poisson (479.81509s) stopped
T12 >> 1462287543.77023101 Hartree integrate/restrict (11.09655s) started
T12 << 1462287543.81158209 Hartree integrate/restrict (11.13790s) stopped
T12 >> 1462287543.81167197 Hartree integrate/restrict (11.13796s) started
T12 << 1462287544.16643500 Hartree integrate/restrict (11.49272s) stopped
T12 >> 1462287544.16654301 Atomic (70.80910s) started
T12 >> 1462287544.16901493 XC Correction (0.00117s) started
T12 << 1462287544.16903806 XC Correction (0.00120s) stopped
T12 << 1462287546.53178000 Atomic (73.17433s) stopped
T12 >> 1462287546.53197408 Communicate (375.59856s) started
T12 << 1462287563.06134009 Communicate (392.12793s) stopped
T12 << 1462287563.06137991 Hamiltonian (1847.34459s) stopped
T12 << 1462287563.06139493 LCAO WFS Initialize (2275.21008s) stopped
T12 << 1462287563.07373810 Initialization (3738.41005s) stopped
T12 >> 1462287563.10032511 SCF-cycle (53698.67359s) started
T12 >> 1462287563.10036397 LCAO eigensolver (27083.89911s) started
T12 >> 1462287563.10037708 Potential matrix (407.91593s) started
T12 << 1462287564.06216002 Potential matrix (408.87772s) stopped
T12 >> 1462287564.06224203 DistributedAtomicCorrection (164.04872s) started
T12 << 1462287564.47261500 DistributedAtomicCorrection (164.45909s) stopped
T12 >> 1462287564.47266293 Distribute overlap matrix (3019.21219s) started
T12 >> 1462287564.47270298 blocked summation (1691.03403s) started
T12 << 1462287568.76675510 blocked summation (1695.32808s) stopped
T12 >> 1462287568.77648401 Scalapack redistribute (1324.02433s) started
T12 << 1462287572.27213001 Scalapack redistribute (1327.51998s) stopped
T12 << 1462287572.27223396 Distribute overlap matrix (3027.01176s) stopped
T12 >> 1462287572.27622104 Blacs Orbital Layouts (22750.17307s) started
T12 >> 1462287572.28527594 General diagonalize (22657.80243s) started
T12 << 1462287626.44537091 General diagonalize (22711.96252s) stopped
T12 >> 1462287626.44542408 Redistribute coefs (3.38934s) started
T12 << 1462287626.45390296 Redistribute coefs (3.39782s) stopped
T12 >> 1462287626.45395398 Send coefs to domains (85.16447s) started
T12 << 1462287626.54698992 Send coefs to domains (85.25750s) stopped
T12 << 1462287626.54755712 Blacs Orbital Layouts (22804.44440s) stopped
T12 >> 1462287626.54758906 Calculate projections (740.47568s) started
T12 << 1462287628.32549691 Calculate projections (742.25359s) stopped
T12 << 1462287628.32572103 LCAO eigensolver (27149.12447s) stopped
T12 >> 1462287631.48557901 Density (6494.15826s) started
T12 >> 1462287631.48562503 Pseudo density (5028.71111s) started
T12 >> 1462287631.48824596 Calculate density matrix (4725.76340s) started
T12 << 1462287643.27720404 Calculate density matrix (4737.55236s) stopped
T12 >> 1462287643.27726007 Construct density (294.94419s) started
T12 << 1462287644.03291988 Construct density (295.69985s) stopped
T12 >> 1462287644.04795790 Symmetrize density (0.03352s) started
T12 << 1462287644.04803610 Symmetrize density (0.03359s) stopped
T12 << 1462287644.05003691 Pseudo density (5041.27552s) stopped
T12 >> 1462287644.05010700 Atomic density matrices (1290.09219s) started
T12 << 1462287647.41854095 Atomic density matrices (1293.46062s) stopped
T12 >> 1462287647.41857696 Multipole moments (4.32007s) started
T12 << 1462287647.43208194 Multipole moments (4.33357s) stopped
T12 >> 1462287647.43210602 Normalize (2.69542s) started
T12 << 1462287647.43821096 Normalize (2.70153s) stopped
T12 >> 1462287647.43834805 Mix (168.30914s) started
T12 << 1462287647.79339910 Mix (168.66419s) stopped
T12 << 1462287647.79344296 Density (6510.46612s) stopped
T12 >> 1462287647.79346800 Hamiltonian (18770.68795s) started
T12 >> 1462287647.79348207 vbar (10.77344s) started
T12 << 1462287647.81992698 vbar (10.79989s) stopped
T12 >> 1462287647.82003999 XC 3D grid (11218.04693s) started
T12 >> 1462287648.32293010 van der Waals (10838.37989s) started
T12 >> 1462287648.43762994 semilocal (2284.38200s) started
T12 << 1462287654.18481898 semilocal (2290.12919s) stopped
T12 >> 1462287654.26039600 redistribute (1171.80977s) started
T12 << 1462287655.27601695 redistribute (1172.82539s) stopped
T12 >> 1462287655.27606702 libvdwxc nonlocal (7306.59952s) started
T12 << 1462287673.29728603 libvdwxc nonlocal (7324.62074s) stopped
T12 >> 1462287673.29737091 redistribute (1172.82542s) started
T12 << 1462287675.27078390 redistribute (1174.79884s) stopped
T12 << 1462287675.27199006 van der Waals (10865.32895s) stopped
T12 << 1462287675.73518896 XC 3D grid (11245.96208s) stopped
T12 >> 1462287675.73523688 Poisson (2453.56098s) started
T12 << 1462287680.14503288 Poisson (2457.97077s) stopped
T12 >> 1462287680.14515400 Hartree integrate/restrict (145.96354s) started
T12 << 1462287680.18352509 Hartree integrate/restrict (146.00191s) stopped
T12 >> 1462287680.18365002 Hartree integrate/restrict (146.00200s) started
T12 << 1462287680.50128603 Hartree integrate/restrict (146.31964s) stopped
T12 >> 1462287680.50141406 Atomic (946.36929s) started
T12 >> 1462287680.50355291 XC Correction (0.01306s) started
T12 << 1462287680.50358009 XC Correction (0.01308s) stopped
T12 << 1462287682.88579392 Atomic (948.75367s) stopped
T12 >> 1462287682.88599610 Communicate (3995.80558s) started
T12 << 1462287699.45964694 Communicate (4012.37923s) stopped
T12 << 1462287699.45968604 Hamiltonian (18822.35416s) stopped
T12 >> 1462287699.45971203 LCAO eigensolver (27149.12449s) started
T12 >> 1462287699.45972610 Potential matrix (408.87776s) started
T12 << 1462287700.41807103 Potential matrix (409.83610s) stopped
T12 >> 1462287700.41816592 DistributedAtomicCorrection (164.45913s) started
T12 << 1462287700.83090711 DistributedAtomicCorrection (164.87187s) stopped
T12 >> 1462287700.83095598 Distribute overlap matrix (3027.01177s) started
T12 >> 1462287700.83099699 blocked summation (1695.32814s) started
T12 << 1462287705.10745311 blocked summation (1699.60460s) stopped
T12 >> 1462287705.11713791 Scalapack redistribute (1327.52004s) started
T12 << 1462287708.65489793 Scalapack redistribute (1331.05780s) stopped
T12 << 1462287708.65497589 Distribute overlap matrix (3034.83579s) stopped
T12 >> 1462287708.65945411 Blacs Orbital Layouts (22804.44442s) started
T12 >> 1462287708.66840601 General diagonalize (22711.96257s) started
T12 << 1462287763.20960307 General diagonalize (22766.50376s) stopped
T12 >> 1462287763.20965600 Redistribute coefs (3.39786s) started
T12 << 1462287763.21832705 Redistribute coefs (3.40653s) stopped
T12 >> 1462287763.21837497 Send coefs to domains (85.25754s) started
T12 << 1462287763.32503104 Send coefs to domains (85.36420s) stopped
T12 << 1462287763.32556200 Blacs Orbital Layouts (22859.11053s) stopped
T12 >> 1462287763.32559299 Calculate projections (742.25365s) started
T12 << 1462287765.10388708 Calculate projections (744.03194s) stopped
T12 << 1462287765.10409498 LCAO eigensolver (27214.76887s) stopped
T12 >> 1462287768.28191805 Density (6510.46614s) started
T12 >> 1462287768.28193402 Pseudo density (5041.27558s) started
T12 >> 1462287768.28415203 Calculate density matrix (4737.55240s) started
T12 << 1462287780.02027607 Calculate density matrix (4749.28852s) stopped
T12 >> 1462287780.02033305 Construct density (295.69991s) started
T12 << 1462287780.77717209 Construct density (296.45675s) stopped
T12 >> 1462287780.79137301 Symmetrize density (0.03362s) started
T12 << 1462287780.79144812 Symmetrize density (0.03369s) stopped
T12 << 1462287780.79345989 Pseudo density (5053.78710s) stopped
T12 >> 1462287780.79352689 Atomic density matrices (1293.46065s) started
T12 << 1462287784.15290689 Atomic density matrices (1296.82003s) stopped
T12 >> 1462287784.15294409 Multipole moments (4.33359s) started
T12 << 1462287784.16651011 Multipole moments (4.34715s) stopped
T12 >> 1462287784.16653299 Normalize (2.70163s) started
T12 << 1462287784.17264605 Normalize (2.70775s) stopped
T12 >> 1462287784.17274189 Mix (168.66423s) started
T12 << 1462287784.58716989 Mix (169.07866s) stopped
T12 << 1462287784.58720493 Density (6526.77142s) stopped
T12 >> 1462287784.58722997 Hamiltonian (18822.35418s) started
T12 >> 1462287784.58724499 vbar (10.79994s) started
T12 << 1462287784.61389589 vbar (10.82659s) stopped
T12 >> 1462287784.61406398 XC 3D grid (11245.96212s) started
T12 >> 1462287785.11438107 van der Waals (10865.32898s) started
T12 >> 1462287785.23115802 semilocal (2290.12925s) started
T12 << 1462287791.00626111 semilocal (2295.90436s) stopped
T12 >> 1462287791.08140111 redistribute (1174.79891s) started
T12 << 1462287792.09289289 redistribute (1175.81040s) stopped
T12 >> 1462287792.09294510 libvdwxc nonlocal (7324.62080s) started
T12 << 1462287810.09656096 libvdwxc nonlocal (7342.62442s) stopped
T12 >> 1462287810.09664392 redistribute (1175.81044s) started
T12 << 1462287812.30679107 redistribute (1178.02059s) stopped
T12 << 1462287812.30796194 van der Waals (10892.52256s) stopped
T12 << 1462287812.78093290 XC 3D grid (11274.12898s) stopped
T12 >> 1462287812.78100204 Poisson (2457.97087s) started
T12 << 1462287824.26431489 Poisson (2469.45418s) stopped
T12 >> 1462287824.26440096 Hartree integrate/restrict (146.31970s) started
T12 << 1462287824.30436802 Hartree integrate/restrict (146.35967s) stopped
T12 >> 1462287824.30444908 Hartree integrate/restrict (146.35972s) started
T12 << 1462287824.63626194 Hartree integrate/restrict (146.69153s) stopped
T12 >> 1462287824.63636589 Atomic (948.75369s) started
T12 >> 1462287824.63856506 XC Correction (0.01310s) started
T12 << 1462287824.63859606 XC Correction (0.01313s) stopped
T12 << 1462287827.04105401 Atomic (951.15838s) stopped
T12 >> 1462287827.04124308 Communicate (4012.37926s) started
T12 << 1462287843.64665198 Communicate (4028.98467s) stopped
T12 << 1462287843.64668989 Hamiltonian (18881.41364s) stopped
T12 >> 1462287843.64671493 LCAO eigensolver (27214.76889s) started
T12 >> 1462287843.64672804 Potential matrix (409.83616s) started
T12 << 1462287844.61515594 Potential matrix (410.80458s) stopped
T12 >> 1462287844.61523390 DistributedAtomicCorrection (164.87191s) started
T12 << 1462287845.01785994 DistributedAtomicCorrection (165.27453s) stopped
T12 >> 1462287845.01790810 Distribute overlap matrix (3034.83580s) started
T12 >> 1462287845.01794791 blocked summation (1699.60463s) started
T12 << 1462287849.32849312 blocked summation (1703.91518s) stopped
T12 >> 1462287849.33841705 Scalapack redistribute (1331.05784s) started
T12 << 1462287852.97569799 Scalapack redistribute (1334.69512s) stopped
T12 << 1462287852.97577691 Distribute overlap matrix (3042.79367s) stopped
T12 >> 1462287852.98016310 Blacs Orbital Layouts (22859.11055s) started
T12 >> 1462287852.98892212 General diagonalize (22766.50381s) started
T12 << 1462287906.86265802 General diagonalize (22820.37754s) stopped
T12 >> 1462287906.86271405 Redistribute coefs (3.40657s) started
T12 << 1462287906.87117410 Redistribute coefs (3.41503s) stopped
T12 >> 1462287906.87124300 Send coefs to domains (85.36424s) started
T12 << 1462287906.99420404 Send coefs to domains (85.48720s) stopped
T12 << 1462287906.99482298 Blacs Orbital Layouts (22913.12521s) stopped
T12 >> 1462287906.99485302 Calculate projections (744.03200s) started
T12 << 1462287908.77318406 Calculate projections (745.81033s) stopped
T12 << 1462287908.77358198 LCAO eigensolver (27279.89576s) stopped
T12 >> 1462287911.94153905 Density (6526.77144s) started
T12 >> 1462287911.94155502 Pseudo density (5053.78716s) started
T12 >> 1462287911.94513607 Calculate density matrix (4749.28857s) started
T12 << 1462287923.94122100 Calculate density matrix (4761.28466s) stopped
T12 >> 1462287923.94127893 Construct density (296.45681s) started
T12 << 1462287924.69613409 Construct density (297.21166s) stopped
T12 >> 1462287924.71009898 Symmetrize density (0.03371s) started
T12 << 1462287924.71017599 Symmetrize density (0.03379s) stopped
T12 << 1462287924.71217895 Pseudo density (5066.55778s) stopped
T12 >> 1462287924.71224904 Atomic density matrices (1296.82006s) started
T12 << 1462287928.19039702 Atomic density matrices (1300.29820s) stopped
T12 >> 1462287928.19043303 Multipole moments (4.34717s) started
T12 << 1462287928.20394492 Multipole moments (4.36068s) stopped
T12 >> 1462287928.20396900 Normalize (2.70782s) started
T12 << 1462287928.21084690 Normalize (2.71470s) stopped
T12 >> 1462287928.21097398 Mix (169.07870s) started
T12 << 1462287928.65376902 Mix (169.52149s) stopped
T12 << 1462287928.65382695 Density (6543.48372s) stopped
T12 >> 1462287928.65385509 Hamiltonian (18881.41365s) started
T12 >> 1462287928.65387011 vbar (10.82669s) started
T12 << 1462287928.67967510 vbar (10.85249s) stopped
T12 >> 1462287928.67978191 XC 3D grid (11274.12904s) started
T12 >> 1462287929.17939806 van der Waals (10892.52258s) started
T12 >> 1462287929.29652309 semilocal (2295.90447s) started
T12 << 1462287935.06441212 semilocal (2301.67236s) stopped
T12 >> 1462287935.15299106 redistribute (1178.02065s) started
T12 << 1462287936.15743589 redistribute (1179.02510s) stopped
T12 >> 1462287936.15748692 libvdwxc nonlocal (7342.62448s) started
T12 << 1462287954.40808010 libvdwxc nonlocal (7360.87508s) stopped
T12 >> 1462287954.40814400 redistribute (1179.02514s) started
T12 << 1462287956.44191289 redistribute (1181.05891s) stopped
T12 << 1462287956.44299889 van der Waals (10919.78618s) stopped
T12 << 1462287956.90988994 XC 3D grid (11302.35915s) stopped
T12 >> 1462287956.90996408 Poisson (2469.45424s) started
T12 << 1462287964.16006207 Poisson (2476.70434s) stopped
T12 >> 1462287964.16019797 Hartree integrate/restrict (146.69159s) started
T12 << 1462287964.20023203 Hartree integrate/restrict (146.73162s) stopped
T12 >> 1462287964.20032001 Hartree integrate/restrict (146.73168s) started
T12 << 1462287964.51553798 Hartree integrate/restrict (147.04689s) stopped
T12 >> 1462287964.51564908 Atomic (951.15841s) started
T12 >> 1462287964.51761198 XC Correction (0.01314s) started
T12 << 1462287964.51764297 XC Correction (0.01318s) stopped
T12 << 1462287966.90280795 Atomic (953.54556s) stopped
T12 >> 1462287966.90298891 Communicate (4028.98469s) started
T12 << 1462287983.11333609 Communicate (4045.19504s) stopped
T12 << 1462287983.11337805 Hamiltonian (18935.87317s) stopped
T12 >> 1462287983.11340404 LCAO eigensolver (27279.89578s) started
T12 >> 1462287983.11341691 Potential matrix (410.80462s) started
T12 << 1462287984.07969189 Potential matrix (411.77090s) stopped
T12 >> 1462287984.07978702 DistributedAtomicCorrection (165.27457s) started
T12 << 1462287984.49549890 DistributedAtomicCorrection (165.69028s) stopped
T12 >> 1462287984.49554801 Distribute overlap matrix (3042.79369s) started
T12 >> 1462287984.49558806 blocked summation (1703.91521s) started
T12 << 1462287988.82278204 blocked summation (1708.24241s) stopped
T12 >> 1462287988.83297992 Scalapack redistribute (1334.69516s) started
T12 << 1462287992.36002302 Scalapack redistribute (1338.22220s) stopped
T12 << 1462287992.36009002 Distribute overlap matrix (3050.65823s) stopped
T12 >> 1462287992.36443901 Blacs Orbital Layouts (22913.12523s) started
T12 >> 1462287992.37298489 General diagonalize (22820.37758s) started
T12 << 1462288047.24449897 General diagonalize (22875.24910s) stopped
T12 >> 1462288047.24456310 Redistribute coefs (3.41509s) started
T12 << 1462288047.25303102 Redistribute coefs (3.42355s) stopped
T12 >> 1462288047.25309992 Send coefs to domains (85.48724s) started
T12 << 1462288047.36598992 Send coefs to domains (85.60013s) stopped
T12 << 1462288047.36655211 Blacs Orbital Layouts (22968.12734s) stopped
T12 >> 1462288047.36658192 Calculate projections (745.81039s) started
T12 << 1462288049.14492011 Calculate projections (747.58873s) stopped
T12 << 1462288049.14530110 LCAO eigensolver (27345.92767s) stopped
T12 >> 1462288052.33377290 Density (6543.48374s) started
T12 >> 1462288052.33378911 Pseudo density (5066.55783s) started
T12 >> 1462288052.33594608 Calculate density matrix (4761.28470s) started
T12 << 1462288064.14061689 Calculate density matrix (4773.08937s) stopped
T12 >> 1462288064.14067411 Construct density (297.21172s) started
T12 << 1462288064.89699793 Construct density (297.96805s) stopped
T12 >> 1462288064.91087604 Symmetrize density (0.03381s) started
T12 << 1462288064.91094995 Symmetrize density (0.03388s) stopped
T12 << 1462288064.91293693 Pseudo density (5079.13698s) stopped
T12 >> 1462288064.91300392 Atomic density matrices (1300.29823s) started
T12 << 1462288068.31262207 Atomic density matrices (1303.69785s) stopped
T12 >> 1462288068.31265903 Multipole moments (4.36070s) started
T12 << 1462288068.32614493 Multipole moments (4.37418s) stopped
T12 >> 1462288068.32617903 Normalize (2.71480s) started
T12 << 1462288068.33252597 Normalize (2.72114s) stopped
T12 >> 1462288068.33266711 Mix (169.52155s) started
T12 << 1462288068.74422002 Mix (169.93310s) stopped
T12 << 1462288068.74428511 Density (6559.89425s) stopped
T12 >> 1462288068.74431491 Hamiltonian (18935.87319s) started
T12 >> 1462288068.74432993 vbar (10.85256s) started
T12 << 1462288068.76805091 vbar (10.87628s) stopped
T12 >> 1462288068.76822090 XC 3D grid (11302.35921s) started
T12 >> 1462288069.27055597 van der Waals (10919.78621s) started
T12 >> 1462288069.38702011 semilocal (2301.67245s) started
T12 << 1462288075.21219993 semilocal (2307.49762s) stopped
T12 >> 1462288075.28563499 redistribute (1181.05897s) started
T12 << 1462288076.21976995 redistribute (1181.99310s) stopped
T12 >> 1462288076.21984410 libvdwxc nonlocal (7360.87512s) started
T12 << 1462288093.77576399 libvdwxc nonlocal (7378.43104s) stopped
T12 >> 1462288093.77587295 redistribute (1181.99316s) started
T12 << 1462288095.85739589 redistribute (1184.07468s) stopped
T12 << 1462288095.85842609 van der Waals (10946.37408s) stopped
T12 << 1462288096.32262611 XC 3D grid (11329.91362s) stopped
T12 >> 1462288096.32269311 Poisson (2476.70445s) started
T12 << 1462288102.15962410 Poisson (2482.54138s) stopped
T12 >> 1462288102.15971303 Hartree integrate/restrict (147.04695s) started
T12 << 1462288102.20034599 Hartree integrate/restrict (147.08759s) stopped
T12 >> 1462288102.20043492 Hartree integrate/restrict (147.08764s) started
T12 << 1462288102.50923896 Hartree integrate/restrict (147.39645s) stopped
T12 >> 1462288102.50934601 Atomic (953.54559s) started
T12 >> 1462288102.51140904 XC Correction (0.01319s) started
T12 << 1462288102.51143003 XC Correction (0.01321s) stopped
T12 << 1462288104.96106100 Atomic (955.99731s) stopped
T12 >> 1462288104.96123791 Communicate (4045.19507s) started
T12 << 1462288120.17604589 Communicate (4060.40988s) stopped
T12 << 1462288120.17608905 Hamiltonian (18987.30496s) stopped
T12 >> 1462288120.17611599 LCAO eigensolver (27345.92769s) started
T12 >> 1462288120.17613006 Potential matrix (411.77095s) started
T12 << 1462288121.13514590 Potential matrix (412.72997s) stopped
T12 >> 1462288121.13524199 DistributedAtomicCorrection (165.69032s) started
T12 << 1462288121.54462695 DistributedAtomicCorrection (166.09971s) stopped
T12 >> 1462288121.54467607 Distribute overlap matrix (3050.65824s) started
T12 >> 1462288121.54471588 blocked summation (1708.24244s) started
T12 << 1462288125.83392811 blocked summation (1712.53166s) stopped
T12 >> 1462288125.84464312 Scalapack redistribute (1338.22225s) started
T12 << 1462288129.31553888 Scalapack redistribute (1341.69314s) stopped
T12 << 1462288129.31565499 Distribute overlap matrix (3058.42922s) stopped
T12 >> 1462288129.31968594 Blacs Orbital Layouts (22968.12736s) started
T12 >> 1462288129.32902288 General diagonalize (22875.24915s) started
T12 << 1462288183.35242105 General diagonalize (22929.27255s) stopped
T12 >> 1462288183.35247397 Redistribute coefs (3.42361s) started
T12 << 1462288183.36079502 Redistribute coefs (3.43193s) stopped
T12 >> 1462288183.36087203 Send coefs to domains (85.60017s) started
T12 << 1462288183.81324196 Send coefs to domains (86.05254s) stopped
T12 << 1462288183.81384706 Blacs Orbital Layouts (23022.62152s) stopped
T12 >> 1462288183.81387806 Calculate projections (747.58879s) started
T12 << 1462288185.59456110 Calculate projections (749.36947s) stopped
T12 << 1462288185.59496093 LCAO eigensolver (27411.34654s) stopped
T12 >> 1462288188.78141189 Density (6559.89426s) started
T12 >> 1462288188.78142810 Pseudo density (5079.13703s) started
T12 >> 1462288188.78363204 Calculate density matrix (4773.08941s) started
T12 << 1462288200.57710695 Calculate density matrix (4784.88289s) stopped
T12 >> 1462288200.57716298 Construct density (297.96810s) started
T12 << 1462288201.33468390 Construct density (298.72562s) stopped
T12 >> 1462288201.34885406 Symmetrize density (0.03390s) started
T12 << 1462288201.34892988 Symmetrize density (0.03398s) stopped
T12 << 1462288201.35090995 Pseudo density (5091.70652s) stopped
T12 >> 1462288201.35097790 Atomic density matrices (1303.69788s) started
T12 << 1462288204.72623396 Atomic density matrices (1307.07313s) stopped
T12 >> 1462288204.72626996 Multipole moments (4.37420s) started
T12 << 1462288204.73922396 Multipole moments (4.38715s) stopped
T12 >> 1462288204.73925710 Normalize (2.72125s) started
T12 << 1462288204.74538589 Normalize (2.72738s) stopped
T12 >> 1462288204.74549389 Mix (169.93316s) started
T12 << 1462288205.21316791 Mix (170.40084s) stopped
T12 << 1462288205.21323204 Density (6576.32608s) stopped
T12 >> 1462288205.21325898 Hamiltonian (18987.30497s) started
T12 >> 1462288205.21327400 vbar (10.87638s) started
T12 << 1462288205.24281096 vbar (10.90591s) stopped
T12 >> 1462288205.24299788 XC 3D grid (11329.91367s) started
T12 >> 1462288205.73194003 van der Waals (10946.37411s) started
T12 >> 1462288205.84846306 semilocal (2307.49768s) started
T12 << 1462288211.64851189 semilocal (2313.29773s) stopped
T12 >> 1462288211.72348595 redistribute (1184.07475s) started
T12 << 1462288212.66526008 redistribute (1185.01652s) stopped
T12 >> 1462288212.66533303 libvdwxc nonlocal (7378.43113s) started
T12 << 1462288230.82465792 libvdwxc nonlocal (7396.59046s) stopped
T12 >> 1462288230.82473993 redistribute (1185.01658s) started
T12 << 1462288232.98770499 redistribute (1187.17954s) stopped
T12 << 1462288232.98889995 van der Waals (10973.63107s) stopped
T12 << 1462288233.45802593 XC 3D grid (11358.12870s) stopped
T12 >> 1462288233.45807600 Poisson (2482.54145s) started
T12 << 1462288243.60088897 Poisson (2492.68426s) stopped
T12 >> 1462288243.60098004 Hartree integrate/restrict (147.39650s) started
T12 << 1462288243.64071107 Hartree integrate/restrict (147.43623s) stopped
T12 >> 1462288243.64079404 Hartree integrate/restrict (147.43629s) started
T12 << 1462288243.96022296 Hartree integrate/restrict (147.75572s) stopped
T12 >> 1462288243.96033406 Atomic (955.99733s) started
T12 >> 1462288243.96222806 XC Correction (0.01322s) started
T12 << 1462288243.96224308 XC Correction (0.01324s) stopped
T12 << 1462288246.38106704 Atomic (958.41807s) stopped
T12 >> 1462288246.38123488 Communicate (4060.40991s) started
T12 << 1462288261.11108994 Communicate (4075.13976s) stopped
T12 << 1462288261.11113095 Hamiltonian (19043.20284s) stopped
T12 >> 1462288261.11115789 LCAO eigensolver (27411.34656s) started
T12 >> 1462288261.11117196 Potential matrix (412.73002s) started
T12 << 1462288262.07196689 Potential matrix (413.69082s) stopped
T12 >> 1462288262.07205892 DistributedAtomicCorrection (166.09975s) started
T12 << 1462288262.48339105 DistributedAtomicCorrection (166.51108s) stopped
T12 >> 1462288262.48345995 Distribute overlap matrix (3058.42924s) started
T12 >> 1462288262.48348403 blocked summation (1712.53169s) started
T12 << 1462288266.71807194 blocked summation (1716.76628s) stopped
T12 >> 1462288266.72782803 Scalapack redistribute (1341.69321s) started
T12 << 1462288270.24270701 Scalapack redistribute (1345.20809s) stopped
T12 << 1462288270.24282193 Distribute overlap matrix (3066.18860s) stopped
T12 >> 1462288270.24703002 Blacs Orbital Layouts (23022.62155s) started
T12 >> 1462288270.25597405 General diagonalize (22929.27259s) started
T12 << 1462288325.09389901 General diagonalize (22984.11052s) stopped
T12 >> 1462288325.09394503 Redistribute coefs (3.43199s) started
T12 << 1462288325.10250497 Redistribute coefs (3.44055s) stopped
T12 >> 1462288325.10254598 Send coefs to domains (86.05258s) started
T12 << 1462288325.43247509 Send coefs to domains (86.38251s) stopped
T12 << 1462288325.43300200 Blacs Orbital Layouts (23077.80752s) stopped
T12 >> 1462288325.43302989 Calculate projections (749.36953s) started
T12 << 1462288327.20162106 Calculate projections (751.13812s) stopped
T12 << 1462288327.20209789 LCAO eigensolver (27477.43750s) stopped
T12 >> 1462288330.39528704 Density (6576.32610s) started
T12 >> 1462288330.39530206 Pseudo density (5091.70657s) started
T12 >> 1462288330.39808989 Calculate density matrix (4784.88293s) started
T12 << 1462288342.10885096 Calculate density matrix (4796.59369s) stopped
T12 >> 1462288342.10889792 Construct density (298.72568s) started
T12 << 1462288342.86720610 Construct density (299.48399s) stopped
T12 >> 1462288342.88345289 Symmetrize density (0.03400s) started
T12 << 1462288342.88351798 Symmetrize density (0.03406s) stopped
T12 << 1462288342.88599801 Pseudo density (5104.19727s) stopped
T12 >> 1462288342.88605809 Atomic density matrices (1307.07316s) started
T12 << 1462288346.29737496 Atomic density matrices (1310.48448s) stopped
T12 >> 1462288346.29740691 Multipole moments (4.38717s) started
T12 << 1462288346.31032491 Multipole moments (4.40009s) stopped
T12 >> 1462288346.31035590 Normalize (2.72746s) started
T12 << 1462288346.31698704 Normalize (2.73409s) stopped
T12 >> 1462288346.31702900 Mix (170.40090s) started
T12 << 1462288346.74649501 Mix (170.83036s) stopped
T12 << 1462288346.74655700 Density (6592.67737s) stopped
T12 >> 1462288346.74658298 Hamiltonian (19043.20286s) started
T12 >> 1462288346.74659705 vbar (10.90602s) started
T12 << 1462288346.76667809 vbar (10.92610s) stopped
T12 >> 1462288346.76675010 XC 3D grid (11358.12874s) started
T12 >> 1462288347.29616594 van der Waals (10973.63109s) started
T12 >> 1462288347.41111398 semilocal (2313.29780s) started
T12 << 1462288353.22115707 semilocal (2319.10784s) stopped
T12 >> 1462288353.29686689 redistribute (1187.17961s) started
T12 << 1462288354.26827693 redistribute (1188.15102s) stopped
T12 >> 1462288354.26834393 libvdwxc nonlocal (7396.59052s) started
T12 << 1462288372.98101497 libvdwxc nonlocal (7415.30319s) stopped
T12 >> 1462288372.98108101 redistribute (1188.15107s) started
T12 << 1462288374.90275693 redistribute (1190.07274s) stopped
T12 << 1462288374.90390205 van der Waals (11001.23883s) stopped
T12 << 1462288375.37379909 XC 3D grid (11386.73579s) stopped
T12 >> 1462288375.37384009 Poisson (2492.68432s) started
T12 << 1462288381.30468607 Poisson (2498.61517s) stopped
T12 >> 1462288381.30475712 Hartree integrate/restrict (147.75577s) started
T12 << 1462288381.35646510 Hartree integrate/restrict (147.80748s) stopped
T12 >> 1462288381.35652590 Hartree integrate/restrict (147.80752s) started
T12 << 1462288381.67128992 Hartree integrate/restrict (148.12229s) stopped
T12 >> 1462288381.67139101 Atomic (958.41809s) started
T12 >> 1462288381.67320704 XC Correction (0.01325s) started
T12 << 1462288381.67322397 XC Correction (0.01327s) stopped
T12 << 1462288384.08136296 Atomic (960.82806s) stopped
T12 >> 1462288384.08150291 Communicate (4075.13979s) started
T12 << 1462288398.81524801 Communicate (4089.87353s) stopped
T12 << 1462288398.81528497 Hamiltonian (19095.27156s) stopped
T12 >> 1462288398.81531096 LCAO eigensolver (27477.43752s) started
T12 >> 1462288398.81532407 Potential matrix (413.69087s) started
T12 << 1462288399.78054690 Potential matrix (414.65609s) stopped
T12 >> 1462288399.78062892 DistributedAtomicCorrection (166.51112s) started
T12 << 1462288400.19567490 DistributedAtomicCorrection (166.92616s) stopped
T12 >> 1462288400.19574094 Distribute overlap matrix (3066.18861s) started
T12 >> 1462288400.19576311 blocked summation (1716.76632s) started
T12 << 1462288404.40196204 blocked summation (1720.97252s) stopped
T12 >> 1462288404.41150403 Scalapack redistribute (1345.20816s) started
T12 << 1462288408.08953500 Scalapack redistribute (1348.88619s) stopped
T12 << 1462288408.08960199 Distribute overlap matrix (3074.08248s) stopped
T12 >> 1462288408.09426904 Blacs Orbital Layouts (23077.80754s) started
T12 >> 1462288408.10310793 General diagonalize (22984.11055s) started
T12 << 1462288460.30039096 General diagonalize (23036.30784s) stopped
T12 >> 1462288460.30043697 Redistribute coefs (3.44058s) started
T12 << 1462288460.30951810 Redistribute coefs (3.44966s) stopped
T12 >> 1462288460.30955791 Send coefs to domains (86.38254s) started
T12 << 1462288460.40014791 Send coefs to domains (86.47313s) stopped
T12 << 1462288460.40077806 Blacs Orbital Layouts (23130.11405s) stopped
T12 >> 1462288460.40080595 Calculate projections (751.13817s) started
T12 << 1462288462.17503405 Calculate projections (752.91240s) stopped
T12 << 1462288462.17541409 LCAO eigensolver (27540.79762s) stopped
T12 >> 1462288465.36308694 Density (6592.67738s) started
T12 >> 1462288465.36310101 Pseudo density (5104.19731s) started
T12 >> 1462288465.36573601 Calculate density matrix (4796.59372s) started
T12 << 1462288477.18095589 Calculate density matrix (4808.40894s) stopped
T12 >> 1462288477.18100500 Construct density (299.48404s) started
T12 << 1462288477.93890095 Construct density (300.24193s) stopped
T12 >> 1462288477.95510793 Symmetrize density (0.03408s) started
T12 << 1462288477.95517492 Symmetrize density (0.03414s) stopped
T12 << 1462288477.95761895 Pseudo density (5116.79183s) stopped
T12 >> 1462288477.95767593 Atomic density matrices (1310.48450s) started
T12 << 1462288481.41994095 Atomic density matrices (1313.94677s) stopped
T12 >> 1462288481.41997409 Multipole moments (4.40011s) started
T12 << 1462288481.43348193 Multipole moments (4.41361s) stopped
T12 >> 1462288481.43351102 Normalize (2.73412s) started
T12 << 1462288481.44027710 Normalize (2.74089s) stopped
T12 >> 1462288481.44031596 Mix (170.83042s) started
T12 << 1462288481.88743997 Mix (171.27755s) stopped
T12 << 1462288481.88750291 Density (6609.20180s) stopped
T12 >> 1462288481.88753104 Hamiltonian (19095.27157s) started
T12 >> 1462288481.88754606 vbar (10.92613s) started
T12 << 1462288481.91248107 vbar (10.95107s) stopped
T12 >> 1462288481.91259694 XC 3D grid (11386.73582s) started
T12 >> 1462288482.46664000 van der Waals (11001.23886s) started
T12 >> 1462288482.57959294 semilocal (2319.10793s) started
T12 << 1462288488.39161110 semilocal (2324.91994s) stopped
T12 >> 1462288488.46413803 redistribute (1190.07280s) started
T12 << 1462288489.43994093 redistribute (1191.04861s) stopped
T12 >> 1462288489.43998408 libvdwxc nonlocal (7415.30324s) started
T12 << 1462288508.13347602 libvdwxc nonlocal (7433.99673s) stopped
T12 >> 1462288508.13352799 redistribute (1191.04864s) started
T12 << 1462288510.17788005 redistribute (1193.09299s) stopped
T12 << 1462288510.17894602 van der Waals (11028.95117s) stopped
T12 << 1462288510.64394093 XC 3D grid (11415.46716s) stopped
T12 >> 1462288510.64398289 Poisson (2498.61522s) started
T12 << 1462288515.15604305 Poisson (2503.12728s) stopped
T12 >> 1462288515.15610909 Hartree integrate/restrict (148.12234s) started
T12 << 1462288515.20214009 Hartree integrate/restrict (148.16837s) stopped
T12 >> 1462288515.20217991 Hartree integrate/restrict (148.16840s) started
T12 << 1462288515.53267002 Hartree integrate/restrict (148.49889s) stopped
T12 >> 1462288515.53277898 Atomic (960.82808s) started
T12 >> 1462288515.53447700 XC Correction (0.01328s) started
T12 << 1462288515.53449106 XC Correction (0.01329s) stopped
T12 << 1462288517.94536090 Atomic (963.24067s) stopped
T12 >> 1462288517.94548988 Communicate (4089.87356s) started
T12 << 1462288532.69811010 Communicate (4104.62618s) stopped
T12 << 1462288532.69814706 Hamiltonian (19146.08219s) stopped
T12 >> 1462288532.69817209 LCAO eigensolver (27540.79764s) started
T12 >> 1462288532.69818497 Potential matrix (414.65614s) started
T12 << 1462288533.66795301 Potential matrix (415.62591s) stopped
T12 >> 1462288533.66802096 DistributedAtomicCorrection (166.92620s) started
T12 << 1462288534.08569193 DistributedAtomicCorrection (167.34387s) stopped
T12 >> 1462288534.08575892 Distribute overlap matrix (3074.08249s) started
T12 >> 1462288534.08578491 blocked summation (1720.97255s) started
T12 << 1462288538.30639100 blocked summation (1725.19315s) stopped
T12 >> 1462288538.31696200 Scalapack redistribute (1348.88623s) started
T12 << 1462288541.99067092 Scalapack redistribute (1352.55994s) stopped
T12 << 1462288541.99078393 Distribute overlap matrix (3081.98751s) stopped
T12 >> 1462288541.99548697 Blacs Orbital Layouts (23130.11406s) started
T12 >> 1462288542.00414801 General diagonalize (23036.30787s) started
T12 << 1462288594.55941010 General diagonalize (23088.86313s) stopped
T12 >> 1462288594.55945706 Redistribute coefs (3.44970s) started
T12 << 1462288594.56830907 Redistribute coefs (3.45855s) stopped
T12 >> 1462288594.56834888 Send coefs to domains (86.47317s) started
T12 << 1462288594.86993003 Send coefs to domains (86.77475s) stopped
T12 << 1462288594.87032700 Blacs Orbital Layouts (23182.98890s) stopped
T12 >> 1462288594.87035489 Calculate projections (752.91245s) started
T12 << 1462288596.64371109 Calculate projections (754.68580s) stopped
T12 << 1462288596.64406991 LCAO eigensolver (27604.74354s) stopped
T12 >> 1462288599.82270503 Density (6609.20181s) started
T12 >> 1462288599.82271910 Pseudo density (5116.79188s) started
T12 >> 1462288599.82551003 Calculate density matrix (4808.40897s) started
T12 << 1462288611.55557895 Calculate density matrix (4820.13904s) stopped
T12 >> 1462288611.55562806 Construct density (300.24199s) started
T12 << 1462288612.31417108 Construct density (301.00053s) stopped
T12 >> 1462288612.33041191 Symmetrize density (0.03416s) started
T12 << 1462288612.33047891 Symmetrize density (0.03423s) stopped
T12 << 1462288612.33288002 Pseudo density (5129.30204s) stopped
T12 >> 1462288612.33293796 Atomic density matrices (1313.94679s) started
T12 << 1462288615.69521689 Atomic density matrices (1317.30907s) stopped
T12 >> 1462288615.69525003 Multipole moments (4.41363s) started
T12 << 1462288615.70877695 Multipole moments (4.42716s) stopped
T12 >> 1462288615.70880699 Normalize (2.74091s) started
T12 << 1462288615.71554899 Normalize (2.74765s) stopped
T12 >> 1462288615.71558690 Mix (171.27761s) started
T12 << 1462288616.13775396 Mix (171.69977s) stopped
T12 << 1462288616.13781810 Density (6625.51692s) stopped
T12 >> 1462288616.13784289 Hamiltonian (19146.08220s) started
T12 >> 1462288616.13785791 vbar (10.95113s) started
T12 << 1462288616.16129899 vbar (10.97457s) stopped
T12 >> 1462288616.16140199 XC 3D grid (11415.46719s) started
T12 >> 1462288616.70968199 van der Waals (11028.95119s) started
T12 >> 1462288616.82706809 semilocal (2324.92001s) started
T12 << 1462288622.56937194 semilocal (2330.66232s) stopped
T12 >> 1462288622.64127588 redistribute (1193.09305s) started
T12 << 1462288623.69114995 redistribute (1194.14293s) stopped
T12 >> 1462288623.69119310 libvdwxc nonlocal (7433.99677s) started
T12 << 1462288642.21657491 libvdwxc nonlocal (7452.52216s) stopped
T12 >> 1462288642.21664405 redistribute (1194.14296s) started
T12 << 1462288644.04162407 redistribute (1195.96794s) stopped
T12 << 1462288644.04267812 van der Waals (11056.28419s) stopped
T12 << 1462288644.50444007 XC 3D grid (11443.81023s) stopped
T12 >> 1462288644.50448203 Poisson (2503.12733s) started
T12 << 1462288648.92211604 Poisson (2507.54496s) stopped
T12 >> 1462288648.92218494 Hartree integrate/restrict (148.49894s) started
T12 << 1462288648.96943092 Hartree integrate/restrict (148.54619s) stopped
T12 >> 1462288648.96948290 Hartree integrate/restrict (148.54622s) started
T12 << 1462288649.32909393 Hartree integrate/restrict (148.90583s) stopped
T12 >> 1462288649.32920098 Atomic (963.24069s) started
T12 >> 1462288649.33139896 XC Correction (0.01330s) started
T12 << 1462288649.33143711 XC Correction (0.01334s) stopped
T12 << 1462288651.73629189 Atomic (965.64778s) stopped
T12 >> 1462288651.73640895 Communicate (4104.62620s) started
T12 << 1462288666.48961806 Communicate (4119.37941s) stopped
T12 << 1462288666.48965502 Hamiltonian (19196.43401s) stopped
T12 >> 1462288666.48968005 LCAO eigensolver (27604.74355s) started
T12 >> 1462288666.48969197 Potential matrix (415.62595s) started
T12 << 1462288667.45757103 Potential matrix (416.59383s) stopped
T12 >> 1462288667.45763898 DistributedAtomicCorrection (167.34391s) started
T12 << 1462288667.88129091 DistributedAtomicCorrection (167.76756s) stopped
T12 >> 1462288667.88133907 Distribute overlap matrix (3081.98753s) started
T12 >> 1462288667.88137889 blocked summation (1725.19318s) started
T12 << 1462288672.11629605 blocked summation (1729.42810s) stopped
T12 >> 1462288672.12575412 Scalapack redistribute (1352.56000s) started
T12 << 1462288675.79005909 Scalapack redistribute (1356.22431s) stopped
T12 << 1462288675.79015803 Distribute overlap matrix (3089.89635s) stopped
T12 >> 1462288675.79481006 Blacs Orbital Layouts (23182.98892s) started
T12 >> 1462288675.80334091 General diagonalize (23088.86317s) started
T12 << 1462288728.49673796 General diagonalize (23141.55657s) stopped
T12 >> 1462288728.49680901 Redistribute coefs (3.45858s) started
T12 << 1462288728.50640702 Redistribute coefs (3.46818s) stopped
T12 >> 1462288728.50647402 Send coefs to domains (86.77478s) started
T12 << 1462288728.63272405 Send coefs to domains (86.90103s) stopped
T12 << 1462288728.63321090 Blacs Orbital Layouts (23235.82732s) stopped
T12 >> 1462288728.63323998 Calculate projections (754.68585s) started
T12 << 1462288730.41291690 Calculate projections (756.46553s) stopped
T12 << 1462288730.41338301 LCAO eigensolver (27668.66726s) stopped
T12 >> 1462288733.60738707 Density (6625.51694s) started
T12 >> 1462288733.60740399 Pseudo density (5129.30209s) started
T12 >> 1462288733.60982990 Calculate density matrix (4820.13908s) started
T12 << 1462288745.44968891 Calculate density matrix (4831.97894s) stopped
T12 >> 1462288745.44974709 Construct density (301.00058s) started
T12 << 1462288746.20667791 Construct density (301.75751s) stopped
T12 >> 1462288746.22179008 Symmetrize density (0.03424s) started
T12 << 1462288746.22186804 Symmetrize density (0.03432s) stopped
T12 << 1462288746.22396803 Pseudo density (5141.91865s) stopped
T12 >> 1462288746.22403407 Atomic density matrices (1317.30910s) started
T12 << 1462288749.61112809 Atomic density matrices (1320.69619s) stopped
T12 >> 1462288749.61116409 Multipole moments (4.42717s) started
T12 << 1462288749.62490106 Multipole moments (4.44091s) stopped
T12 >> 1462288749.62493396 Normalize (2.74768s) started
T12 << 1462288749.63135695 Normalize (2.75410s) stopped
T12 >> 1462288749.63148904 Mix (171.69984s) started
T12 << 1462288750.05712104 Mix (172.12547s) stopped
T12 << 1462288750.05719304 Density (6641.96674s) stopped
T12 >> 1462288750.05722404 Hamiltonian (19196.43403s) started
T12 >> 1462288750.05723906 vbar (10.97464s) started
T12 << 1462288750.08039093 vbar (10.99779s) stopped
T12 >> 1462288750.08050394 XC 3D grid (11443.81026s) started
T12 >> 1462288750.69551611 van der Waals (11056.28421s) started
T12 >> 1462288750.81076193 semilocal (2330.66240s) started
T12 << 1462288756.62581205 semilocal (2336.47745s) stopped
T12 >> 1462288756.70191407 redistribute (1195.96800s) started
T12 << 1462288757.65940404 redistribute (1196.92549s) stopped
T12 >> 1462288757.65947604 libvdwxc nonlocal (7452.52221s) started
T12 << 1462288775.74122190 libvdwxc nonlocal (7470.60395s) stopped
T12 >> 1462288775.74130106 redistribute (1196.92554s) started
T12 << 1462288777.73829699 redistribute (1198.92254s) stopped
T12 << 1462288777.73932505 van der Waals (11083.32802s) stopped
T12 << 1462288778.20799494 XC 3D grid (11471.93775s) stopped
T12 >> 1462288778.20804691 Poisson (2507.54501s) started
T12 << 1462288782.58025002 Poisson (2511.91722s) stopped
T12 >> 1462288782.58033109 Hartree integrate/restrict (148.90588s) started
T12 << 1462288782.61788893 Hartree integrate/restrict (148.94344s) stopped
T12 >> 1462288782.61797404 Hartree integrate/restrict (148.94350s) started
T12 << 1462288782.93658209 Hartree integrate/restrict (149.26211s) stopped
T12 >> 1462288782.93669295 Atomic (965.64780s) started
T12 >> 1462288782.93853092 XC Correction (0.01335s) started
T12 << 1462288782.93854594 XC Correction (0.01337s) stopped
T12 << 1462288785.34395099 Atomic (968.05506s) stopped
T12 >> 1462288785.34407210 Communicate (4119.37944s) started
T12 << 1462288800.10525298 Communicate (4134.14062s) stopped
T12 << 1462288800.10529494 Hamiltonian (19246.48210s) stopped
T12 >> 1462288800.10532093 LCAO eigensolver (27668.66728s) started
T12 >> 1462288800.10533500 Potential matrix (416.59386s) started
T12 << 1462288801.05430603 Potential matrix (417.54283s) stopped
T12 >> 1462288801.05438399 DistributedAtomicCorrection (167.76760s) started
T12 << 1462288801.47230196 DistributedAtomicCorrection (168.18552s) stopped
T12 >> 1462288801.47237301 Distribute overlap matrix (3089.89636s) started
T12 >> 1462288801.47239804 blocked summation (1729.42813s) started
T12 << 1462288805.75975895 blocked summation (1733.71549s) stopped
T12 >> 1462288805.76935506 Scalapack redistribute (1356.22437s) started
T12 << 1462288809.42049098 Scalapack redistribute (1359.87550s) stopped
T12 << 1462288809.42059803 Distribute overlap matrix (3097.84458s) stopped
T12 >> 1462288809.42500591 Blacs Orbital Layouts (23235.82734s) started
T12 >> 1462288809.43422008 General diagonalize (23141.55663s) started
T12 << 1462288861.70721793 General diagonalize (23193.82962s) stopped
T12 >> 1462288861.70729899 Redistribute coefs (3.46823s) started
T12 << 1462288861.71626210 Redistribute coefs (3.47720s) stopped
T12 >> 1462288861.71633291 Send coefs to domains (86.90107s) started
T12 << 1462288861.84888601 Send coefs to domains (87.03362s) stopped
T12 << 1462288861.84929609 Blacs Orbital Layouts (23288.25163s) stopped
T12 >> 1462288861.84932494 Calculate projections (756.46559s) started
T12 << 1462288863.62824011 Calculate projections (758.24451s) stopped
T12 << 1462288863.62863207 LCAO eigensolver (27732.19059s) stopped
T12 >> 1462288866.81612206 Density (6641.96676s) started
T12 >> 1462288866.81613708 Pseudo density (5141.91870s) started
T12 >> 1462288866.81851101 Calculate density matrix (4831.97898s) started
T12 << 1462288878.65128112 Calculate density matrix (4843.81175s) stopped
T12 >> 1462288878.65133691 Construct density (301.75757s) started
T12 << 1462288879.40732503 Construct density (302.51356s) stopped
T12 >> 1462288879.42106104 Symmetrize density (0.03434s) started
T12 << 1462288879.42113400 Symmetrize density (0.03441s) stopped
T12 << 1462288879.42325997 Pseudo density (5154.52583s) stopped
T12 >> 1462288879.42332911 Atomic density matrices (1320.69622s) started
T12 << 1462288882.88348198 Atomic density matrices (1324.15637s) stopped
T12 >> 1462288882.88351798 Multipole moments (4.44093s) started
T12 << 1462288882.89693904 Multipole moments (4.45435s) stopped
T12 >> 1462288882.89697194 Normalize (2.75421s) started
T12 << 1462288882.90339088 Normalize (2.76063s) stopped
T12 >> 1462288882.90352511 Mix (172.12554s) started
T12 << 1462288883.32825398 Mix (172.55027s) stopped
T12 << 1462288883.32830405 Density (6658.47894s) stopped
T12 >> 1462288883.32833004 Hamiltonian (19246.48211s) started
T12 >> 1462288883.32837701 vbar (10.99785s) started
T12 << 1462288883.35426402 vbar (11.02374s) stopped
T12 >> 1462288883.35443902 XC 3D grid (11471.93780s) started
T12 >> 1462288883.84215593 van der Waals (11083.32805s) started
T12 >> 1462288883.95959902 semilocal (2336.47754s) started
T12 << 1462288889.76901889 semilocal (2342.28696s) stopped
T12 >> 1462288889.84401989 redistribute (1198.92260s) started
T12 << 1462288890.84139490 redistribute (1199.91998s) stopped
T12 >> 1462288890.84146905 libvdwxc nonlocal (7470.60402s) started
T12 << 1462288909.11206388 libvdwxc nonlocal (7488.87461s) stopped
T12 >> 1462288909.11214590 redistribute (1199.92003s) started
T12 << 1462288911.13451409 redistribute (1201.94240s) stopped
T12 << 1462288911.13572311 van der Waals (11110.62162s) stopped
T12 << 1462288911.60248804 XC 3D grid (11500.18585s) stopped
T12 >> 1462288911.60254908 Poisson (2511.91728s) started
T12 << 1462288914.59427905 Poisson (2514.90901s) stopped
T12 >> 1462288914.59437108 Hartree integrate/restrict (149.26216s) started
T12 << 1462288914.63234210 Hartree integrate/restrict (149.30014s) stopped
T12 >> 1462288914.63243794 Hartree integrate/restrict (149.30020s) started
T12 << 1462288914.95979595 Hartree integrate/restrict (149.62756s) stopped
T12 >> 1462288914.95989895 Atomic (968.05508s) started
T12 >> 1462288914.96174407 XC Correction (0.01338s) started
T12 << 1462288914.96177006 XC Correction (0.01341s) stopped
T12 << 1462288917.35879898 Atomic (970.45398s) stopped
T12 >> 1462288917.35890794 Communicate (4134.14065s) started
T12 << 1462288932.07860208 Communicate (4148.86034s) stopped
T12 << 1462288932.07863593 Hamiltonian (19295.23242s) stopped
T12 >> 1462288932.07866096 LCAO eigensolver (27732.19061s) started
T12 >> 1462288932.07867503 Potential matrix (417.54288s) started
T12 << 1462288933.04396296 Potential matrix (418.50816s) stopped
T12 >> 1462288933.04404497 DistributedAtomicCorrection (168.18556s) started
T12 << 1462288933.46103907 DistributedAtomicCorrection (168.60255s) stopped
T12 >> 1462288933.46110702 Distribute overlap matrix (3097.84460s) started
T12 >> 1462288933.46113110 blocked summation (1733.71553s) started
T12 << 1462288937.70913506 blocked summation (1737.96353s) stopped
T12 >> 1462288937.71796989 Scalapack redistribute (1359.87556s) started
T12 << 1462288941.39601994 Scalapack redistribute (1363.55361s) stopped
T12 << 1462288941.39609599 Distribute overlap matrix (3105.77958s) stopped
T12 >> 1462288941.40070295 Blacs Orbital Layouts (23288.25165s) started
T12 >> 1462288941.41020107 General diagonalize (23193.82969s) started
T12 << 1462288996.14382410 General diagonalize (23248.56332s) stopped
T12 >> 1462288996.14386797 Redistribute coefs (3.47725s) started
T12 << 1462288996.15294194 Redistribute coefs (3.48633s) stopped
T12 >> 1462288996.15298200 Send coefs to domains (87.03366s) started
T12 << 1462288996.36798000 Send coefs to domains (87.24866s) stopped
T12 << 1462288996.36849499 Blacs Orbital Layouts (23343.21944s) stopped
T12 >> 1462288996.36852193 Calculate projections (758.24456s) started
T12 << 1462288998.13739800 Calculate projections (760.01344s) stopped
T12 << 1462288998.13763404 LCAO eigensolver (27798.24958s) stopped
T12 << 1462289001.32894206 SCF-cycle (55136.90221s) stopped
T12 >> 1462289003.34722209 Force calculation (2272.38604s) started
T12 >> 1462289003.34730196 LCAO forces (2247.55756s) started
T12 >> 1462289003.34766603 Initial (0.00067s) started
T12 << 1462289003.34767604 Initial (0.00068s) stopped
T12 >> 1462289003.35431910 Get density matrix (1184.53447s) started
T12 << 1462289012.48170090 Get density matrix (1193.66185s) stopped
T12 >> 1462289012.48174405 Potential (178.53221s) started
T12 << 1462289018.50605011 Potential (184.55652s) stopped
T12 >> 1462289018.50610495 Get density matrix (1193.66188s) started
T12 << 1462289049.51325488 Get density matrix (1224.66903s) stopped
T12 >> 1462289049.51331306 Prepare TCI loop (62.34256s) started
T12 >> 1462289049.51383591 Get neighbors (56.64907s) started
T12 << 1462289051.37073112 Get neighbors (58.50597s) stopped
T12 >> 1462289051.37133288 broadcast dH (5.66073s) started
T12 << 1462289051.65723491 broadcast dH (5.94663s) stopped
T12 << 1462289051.65727592 Prepare TCI loop (64.48652s) stopped
T12 >> 1462289051.65729499 Not so complicated loop (3.47438s) started
T12 << 1462289051.77196407 Not so complicated loop (3.58905s) stopped
T12 >> 1462289051.88461304 Complicated loop (534.79763s) started
T12 << 1462289070.53041911 Complicated loop (553.44343s) stopped
T12 >> 1462289070.53201389 Wait for sum (280.22210s) started
T12 << 1462289080.34970808 Wait for sum (290.03979s) stopped
T12 << 1462289080.34974504 LCAO forces (2324.56001s) stopped
T12 << 1462289081.16508102 Force calculation (2350.20390s) stopped
T12 >> 1462289081.18281603 Initialization (3738.41006s) started
T12 << 1462289081.18298411 Initialization (3738.41023s) stopped
T12 >> 1462289081.18320203 Initialization (3738.41025s) started
T12 << 1462289081.18333602 Initialization (3738.41038s) stopped
T12 >> 1462289081.18347311 Initialization (3738.41040s) started
T12 << 1462289081.18360305 Initialization (3738.41053s) stopped
T12 >> 1462289101.39540005 Initialization (3738.41055s) started
T12 >> 1462289101.60526609 Basic WFS set positions (2.61906s) started
T12 >> 1462289101.60528898 Redistribute (0.01120s) started
T12 << 1462289101.60541701 Redistribute (0.01132s) stopped
T12 << 1462289101.69630003 Basic WFS set positions (2.71010s) stopped
T12 >> 1462289101.69632602 Basis functions set positions (53.96321s) started
T12 << 1462289103.55001903 Basis functions set positions (55.81690s) stopped
T12 >> 1462289103.55084491 TCI: Calculate S, T, P (453.09545s) started
T12 << 1462289118.98435402 TCI: Calculate S, T, P (468.52896s) stopped
T12 >> 1462289118.98440790 blocked summation (640.68436s) started
T12 << 1462289142.47337103 blocked summation (664.17332s) stopped
T12 >> 1462289142.48351693 Scalapack redistribute (251.84975s) started
T12 << 1462289153.07983899 Scalapack redistribute (262.44607s) stopped
T12 >> 1462289153.08086991 blocked summation (664.17336s) started
T12 << 1462289154.05518389 blocked summation (665.14767s) stopped
T12 >> 1462289154.06538510 Scalapack redistribute (262.44613s) started
T12 << 1462289154.47610497 Scalapack redistribute (262.85685s) stopped
T12 >> 1462289154.47769904 Redistribute (0.08735s) started
T12 << 1462289154.47822809 Redistribute (0.08788s) stopped
T12 >> 1462289156.17930508 Redistribute (0.08790s) started
T12 << 1462289156.17974997 Redistribute (0.08834s) stopped
T12 >> 1462289156.19460297 LCAO WFS Initialize (2275.21009s) started
T12 >> 1462289156.19465995 Density initialize from wavefunctions (426.94316s) started
T12 >> 1462289156.20171189 Calculate density matrix (296.38993s) started
T12 << 1462289166.01969409 Calculate density matrix (306.20791s) stopped
T12 >> 1462289166.01974201 Construct density (22.35469s) started
T12 << 1462289166.78045988 Construct density (23.11541s) stopped
T12 >> 1462289166.79500890 Symmetrize density (0.00240s) started
T12 << 1462289166.79506898 Symmetrize density (0.00246s) stopped
T12 << 1462289170.49383092 Density initialize from wavefunctions (441.24234s) stopped
T12 >> 1462289170.49411106 Hamiltonian (1847.34460s) started
T12 >> 1462289170.49412799 vbar (0.87804s) started
T12 << 1462289170.51560307 vbar (0.89951s) stopped
T12 >> 1462289170.51570606 XC 3D grid (889.81736s) started
T12 >> 1462289171.12647796 van der Waals (860.08186s) started
T12 >> 1462289171.23192406 semilocal (179.64725s) started
T12 << 1462289176.95268989 semilocal (185.36802s) stopped
T12 >> 1462289177.03715110 redistribute (102.57258s) started
T12 << 1462289178.13425207 redistribute (103.66968s) stopped
T12 >> 1462289178.13430691 libvdwxc nonlocal (571.93392s) started
T12 << 1462289196.61280489 libvdwxc nonlocal (590.41242s) stopped
T12 >> 1462289196.61287093 redistribute (103.66972s) started
T12 << 1462289198.42082500 redistribute (105.47767s) stopped
T12 << 1462289198.42181110 van der Waals (887.37719s) stopped
T12 << 1462289198.88180590 XC 3D grid (918.18346s) stopped
T12 >> 1462289198.88184690 Poisson (479.81516s) started
T12 << 1462289210.46484590 Poisson (491.39816s) stopped
T12 >> 1462289210.46491790 Hartree integrate/restrict (11.49277s) started
T12 << 1462289210.51393104 Hartree integrate/restrict (11.54178s) stopped
T12 >> 1462289210.51398492 Hartree integrate/restrict (11.54181s) started
T12 << 1462289210.82581806 Hartree integrate/restrict (11.85365s) stopped
T12 >> 1462289210.82591391 Atomic (73.17436s) started
T12 >> 1462289210.82797599 XC Correction (0.00121s) started
T12 << 1462289210.82799602 XC Correction (0.00123s) stopped
T12 << 1462289213.20650601 Atomic (75.55495s) stopped
T12 >> 1462289213.20667505 Communicate (392.12795s) started
T12 << 1462289229.36248398 Communicate (408.28376s) stopped
T12 << 1462289229.36251903 Hamiltonian (1906.21301s) stopped
T12 << 1462289229.36253309 LCAO WFS Initialize (2348.37802s) stopped
T12 << 1462289229.37467289 Initialization (3866.38982s) stopped
T12 >> 1462289229.40077496 SCF-cycle (55136.90223s) started
T12 >> 1462289229.40081191 LCAO eigensolver (27798.24960s) started
T12 >> 1462289229.40082502 Potential matrix (418.50821s) started
T12 << 1462289230.36405993 Potential matrix (419.47145s) stopped
T12 >> 1462289230.36412811 DistributedAtomicCorrection (168.60259s) started
T12 << 1462289230.78357005 DistributedAtomicCorrection (169.02203s) stopped
T12 >> 1462289230.78361797 Distribute overlap matrix (3105.77960s) started
T12 >> 1462289230.78365898 blocked summation (1737.96359s) started
T12 << 1462289234.96760297 blocked summation (1742.14753s) stopped
T12 >> 1462289234.97688699 Scalapack redistribute (1363.55365s) started
T12 << 1462289238.53517008 Scalapack redistribute (1367.11194s) stopped
T12 << 1462289238.53526497 Distribute overlap matrix (3113.53124s) stopped
T12 >> 1462289238.53965592 Blacs Orbital Layouts (23343.21946s) started
T12 >> 1462289238.54826903 General diagonalize (23248.56335s) started
T12 << 1462289292.56415009 General diagonalize (23302.57923s) stopped
T12 >> 1462289292.56422901 Redistribute coefs (3.48636s) started
T12 << 1462289292.57155800 Redistribute coefs (3.49369s) stopped
T12 >> 1462289292.57164311 Send coefs to domains (87.24870s) started
T12 << 1462289292.85448599 Send coefs to domains (87.53154s) stopped
T12 << 1462289292.85496306 Blacs Orbital Layouts (23397.53477s) stopped
T12 >> 1462289292.85499096 Calculate projections (760.01349s) started
T12 << 1462289294.61965799 Calculate projections (761.77816s) stopped
T12 << 1462289294.61985993 LCAO eigensolver (27863.46865s) stopped
T12 >> 1462289297.74970508 Density (6658.47895s) started
T12 >> 1462289297.74971890 Pseudo density (5154.52588s) started
T12 >> 1462289297.75188088 Calculate density matrix (4843.81178s) started
T12 << 1462289309.57852411 Calculate density matrix (4855.63843s) stopped
T12 >> 1462289309.57857203 Construct density (302.51361s) started
T12 << 1462289310.33960390 Construct density (303.27465s) stopped
T12 >> 1462289310.35357904 Symmetrize density (0.03443s) started
T12 << 1462289310.35364604 Symmetrize density (0.03450s) stopped
T12 << 1462289310.35563493 Pseudo density (5167.13180s) stopped
T12 >> 1462289310.35569596 Atomic density matrices (1324.15640s) started
T12 << 1462289313.77180696 Atomic density matrices (1327.57251s) stopped
T12 >> 1462289313.77184010 Multipole moments (4.45436s) started
T12 << 1462289313.78562689 Multipole moments (4.46815s) stopped
T12 >> 1462289313.78565001 Normalize (2.76073s) started
T12 << 1462289313.79178190 Normalize (2.76686s) stopped
T12 >> 1462289313.79183698 Mix (172.55032s) started
T12 << 1462289314.14163804 Mix (172.90012s) stopped
T12 << 1462289314.14172602 Density (6674.87097s) stopped
T12 >> 1462289314.14176011 Hamiltonian (19295.23243s) started
T12 >> 1462289314.14177489 vbar (11.02384s) started
T12 << 1462289314.17116594 vbar (11.05323s) stopped
T12 >> 1462289314.17128801 XC 3D grid (11500.18589s) started
T12 >> 1462289314.72441411 van der Waals (11110.62164s) started
T12 >> 1462289314.83010793 semilocal (2342.28701s) started
T12 << 1462289320.60268402 semilocal (2348.05959s) stopped
T12 >> 1462289320.67862892 redistribute (1201.94246s) started
T12 << 1462289321.70192289 redistribute (1202.96576s) stopped
T12 >> 1462289321.70196700 libvdwxc nonlocal (7488.87467s) started
T12 << 1462289340.12143612 libvdwxc nonlocal (7507.29414s) stopped
T12 >> 1462289340.12147689 redistribute (1202.96579s) started
T12 << 1462289341.79859304 redistribute (1204.64291s) stopped
T12 << 1462289341.79975009 van der Waals (11137.69698s) stopped
T12 << 1462289342.26361704 XC 3D grid (11528.27822s) stopped
T12 >> 1462289342.26365995 Poisson (2514.90907s) started
T12 << 1462289346.67184997 Poisson (2519.31726s) stopped
T12 >> 1462289346.67192006 Hartree integrate/restrict (149.62761s) started
T12 << 1462289346.71681809 Hartree integrate/restrict (149.67251s) stopped
T12 >> 1462289346.71686602 Hartree integrate/restrict (149.67254s) started
T12 << 1462289347.03147793 Hartree integrate/restrict (149.98715s) stopped
T12 >> 1462289347.03158498 Atomic (970.45401s) started
T12 >> 1462289347.03347492 XC Correction (0.01342s) started
T12 << 1462289347.03349590 XC Correction (0.01344s) stopped
T12 << 1462289349.42359900 Atomic (972.84602s) stopped
T12 >> 1462289349.42377496 Communicate (4148.86036s) started
T12 << 1462289365.63943696 Communicate (4165.07602s) stopped
T12 << 1462289365.63947392 Hamiltonian (19346.73014s) stopped
T12 >> 1462289365.63949990 LCAO eigensolver (27863.46866s) started
T12 >> 1462289365.63951206 Potential matrix (419.47148s) started
T12 << 1462289366.59325409 Potential matrix (420.42523s) stopped
T12 >> 1462289366.59332299 DistributedAtomicCorrection (169.02207s) started
T12 << 1462289367.00623703 DistributedAtomicCorrection (169.43499s) stopped
T12 >> 1462289367.00628209 Distribute overlap matrix (3113.53126s) started
T12 >> 1462289367.00632095 blocked summation (1742.14756s) started
T12 << 1462289371.22911501 blocked summation (1746.37035s) stopped
T12 >> 1462289371.23902988 Scalapack redistribute (1367.11199s) started
T12 << 1462289374.76116896 Scalapack redistribute (1370.63413s) stopped
T12 << 1462289374.76127696 Distribute overlap matrix (3121.28625s) stopped
T12 >> 1462289374.76542711 Blacs Orbital Layouts (23397.53479s) started
T12 >> 1462289374.77467203 General diagonalize (23302.57930s) started
T12 << 1462289427.06905389 General diagonalize (23354.87368s) stopped
T12 >> 1462289427.06914711 Redistribute coefs (3.49375s) started
T12 << 1462289427.07773089 Redistribute coefs (3.50234s) stopped
T12 >> 1462289427.07777691 Send coefs to domains (87.53157s) started
T12 << 1462289427.17924404 Send coefs to domains (87.63304s) stopped
T12 << 1462289427.17977190 Blacs Orbital Layouts (23449.94913s) stopped
T12 >> 1462289427.17980194 Calculate projections (761.77821s) started
T12 << 1462289428.96008801 Calculate projections (763.55850s) stopped
T12 << 1462289428.96057892 LCAO eigensolver (27926.78974s) stopped
T12 >> 1462289432.06274295 Density (6674.87099s) started
T12 >> 1462289432.06275797 Pseudo density (5167.13185s) started
T12 >> 1462289432.06537008 Calculate density matrix (4855.63846s) started
T12 << 1462289443.96205592 Calculate density matrix (4867.53515s) stopped
T12 >> 1462289443.96211290 Construct density (303.27470s) started
T12 << 1462289444.72624612 Construct density (304.03883s) stopped
T12 >> 1462289444.74259710 Symmetrize density (0.03452s) started
T12 << 1462289444.74268007 Symmetrize density (0.03460s) stopped
T12 << 1462289444.74522710 Pseudo density (5179.81432s) stopped
T12 >> 1462289444.74529696 Atomic density matrices (1327.57254s) started
T12 << 1462289448.16147208 Atomic density matrices (1330.98871s) stopped
T12 >> 1462289448.16150999 Multipole moments (4.46817s) started
T12 << 1462289448.17530489 Multipole moments (4.48196s) stopped
T12 >> 1462289448.17532992 Normalize (2.76690s) started
T12 << 1462289448.18222308 Normalize (2.77379s) stopped
T12 >> 1462289448.18226910 Mix (172.90021s) started
T12 << 1462289448.58145595 Mix (173.29940s) stopped
T12 << 1462289448.58152199 Density (6691.38977s) stopped
T12 >> 1462289448.58155107 Hamiltonian (19346.73016s) started
T12 >> 1462289448.58156610 vbar (11.05331s) started
T12 << 1462289448.61198092 vbar (11.08372s) stopped
T12 >> 1462289448.61219811 XC 3D grid (11528.27825s) started
T12 >> 1462289449.09527612 van der Waals (11137.69701s) started
T12 >> 1462289449.21057606 semilocal (2348.05969s) started
T12 << 1462289455.00895095 semilocal (2353.85806s) stopped
T12 >> 1462289455.08413410 redistribute (1204.64297s) started
T12 << 1462289456.09821892 redistribute (1205.65705s) stopped
T12 >> 1462289456.09826899 libvdwxc nonlocal (7507.29417s) started
T12 << 1462289473.88201499 libvdwxc nonlocal (7525.07792s) stopped
T12 >> 1462289473.88208294 redistribute (1205.65709s) started
T12 << 1462289475.78500891 redistribute (1207.56002s) stopped
T12 << 1462289475.78635502 van der Waals (11164.38809s) stopped
T12 << 1462289476.24864197 XC 3D grid (11555.91470s) stopped
T12 >> 1462289476.24870110 Poisson (2519.31732s) started
T12 << 1462289483.46018195 Poisson (2526.52880s) stopped
T12 >> 1462289483.46032095 Hartree integrate/restrict (149.98721s) started
T12 << 1462289483.49944806 Hartree integrate/restrict (150.02633s) stopped
T12 >> 1462289483.49959397 Hartree integrate/restrict (150.02643s) started
T12 << 1462289483.85995102 Hartree integrate/restrict (150.38679s) stopped
T12 >> 1462289483.86003304 Atomic (972.84605s) started
T12 >> 1462289483.86188602 XC Correction (0.01345s) started
T12 << 1462289483.86190510 XC Correction (0.01347s) stopped
T12 << 1462289486.23105693 Atomic (975.21707s) stopped
T12 >> 1462289486.23124909 Communicate (4165.07605s) started
T12 << 1462289502.51093888 Communicate (4181.35574s) stopped
T12 << 1462289502.51098204 Hamiltonian (19400.65959s) stopped
T12 >> 1462289502.51100802 LCAO eigensolver (27926.78976s) started
T12 >> 1462289502.51102209 Potential matrix (420.42527s) started
T12 << 1462289503.47044706 Potential matrix (421.38469s) stopped
T12 >> 1462289503.47054100 DistributedAtomicCorrection (169.43503s) started
T12 << 1462289503.89057803 DistributedAtomicCorrection (169.85506s) stopped
T12 >> 1462289503.89062691 Distribute overlap matrix (3121.28626s) started
T12 >> 1462289503.89067197 blocked summation (1746.37039s) started
T12 << 1462289508.19893289 blocked summation (1750.67865s) stopped
T12 >> 1462289508.20917010 Scalapack redistribute (1370.63420s) started
T12 << 1462289511.65337300 Scalapack redistribute (1374.07840s) stopped
T12 << 1462289511.65346193 Distribute overlap matrix (3129.04910s) stopped
T12 >> 1462289511.65824699 Blacs Orbital Layouts (23449.94915s) started
T12 >> 1462289511.66709089 General diagonalize (23354.87376s) started
T12 << 1462289566.13421988 General diagonalize (23409.34089s) stopped
T12 >> 1462289566.13427401 Redistribute coefs (3.50237s) started
T12 << 1462289566.14247298 Redistribute coefs (3.51057s) stopped
T12 >> 1462289566.14252090 Send coefs to domains (87.63307s) started
T12 << 1462289566.45221210 Send coefs to domains (87.94276s) stopped
T12 << 1462289566.45261788 Blacs Orbital Layouts (23504.74352s) stopped
T12 >> 1462289566.45265007 Calculate projections (763.55855s) started
T12 << 1462289568.23114109 Calculate projections (765.33705s) stopped
T12 << 1462289568.23155808 LCAO eigensolver (27992.51031s) stopped
T12 >> 1462289571.32688189 Density (6691.38978s) started
T12 >> 1462289571.32689810 Pseudo density (5179.81437s) started
T12 >> 1462289571.32929492 Calculate density matrix (4867.53518s) started
T12 << 1462289583.21120691 Calculate density matrix (4879.41710s) stopped
T12 >> 1462289583.21126390 Construct density (304.03889s) started
T12 << 1462289583.97452593 Construct density (304.80215s) stopped
T12 >> 1462289583.99167204 Symmetrize density (0.03462s) started
T12 << 1462289583.99175096 Symmetrize density (0.03470s) stopped
T12 << 1462289583.99424005 Pseudo density (5192.48171s) stopped
T12 >> 1462289583.99430704 Atomic density matrices (1330.98874s) started
T12 << 1462289587.37009597 Atomic density matrices (1334.36453s) stopped
T12 >> 1462289587.37013197 Multipole moments (4.48198s) started
T12 << 1462289587.38408208 Multipole moments (4.49593s) stopped
T12 >> 1462289587.38410592 Normalize (2.77383s) started
T12 << 1462289587.39105296 Normalize (2.78077s) stopped
T12 >> 1462289587.39110708 Mix (173.29946s) started
T12 << 1462289587.80602503 Mix (173.71438s) stopped
T12 << 1462289587.80608797 Density (6707.86899s) stopped
T12 >> 1462289587.80611610 Hamiltonian (19400.65960s) started
T12 >> 1462289587.80613208 vbar (11.08387s) started
T12 << 1462289587.83111095 vbar (11.10885s) stopped
T12 >> 1462289587.83121109 XC 3D grid (11555.91474s) started
T12 >> 1462289588.33679795 van der Waals (11164.38812s) started
T12 >> 1462289588.44947505 semilocal (2353.85813s) started
T12 << 1462289594.18929100 semilocal (2359.59795s) stopped
T12 >> 1462289594.26226306 redistribute (1207.56008s) started
T12 << 1462289595.31481791 redistribute (1208.61263s) stopped
T12 >> 1462289595.31487298 libvdwxc nonlocal (7525.07797s) started
T12 << 1462289613.36208606 libvdwxc nonlocal (7543.12518s) stopped
T12 >> 1462289613.36214304 redistribute (1208.61268s) started
T12 << 1462289615.32175708 redistribute (1210.57229s) stopped
T12 << 1462289615.32276511 van der Waals (11191.37409s) stopped
T12 << 1462289615.78622699 XC 3D grid (11583.86976s) stopped
T12 >> 1462289615.78628492 Poisson (2526.52890s) started
T12 << 1462289621.54711199 Poisson (2532.28973s) stopped
T12 >> 1462289621.54719901 Hartree integrate/restrict (150.38683s) started
T12 << 1462289621.58478689 Hartree integrate/restrict (150.42442s) stopped
T12 >> 1462289621.58486605 Hartree integrate/restrict (150.42446s) started
T12 << 1462289621.90735412 Hartree integrate/restrict (150.74695s) stopped
T12 >> 1462289621.90746903 Atomic (975.21710s) started
T12 >> 1462289621.90938711 XC Correction (0.01349s) started
T12 << 1462289621.90940189 XC Correction (0.01350s) stopped
T12 << 1462289624.30075002 Atomic (977.61038s) stopped
T12 >> 1462289624.30093408 Communicate (4181.35577s) started
T12 << 1462289640.55512500 Communicate (4197.60996s) stopped
T12 << 1462289640.55516601 Hamiltonian (19453.40865s) stopped
T12 >> 1462289640.55519295 LCAO eigensolver (27992.51033s) started
T12 >> 1462289640.55520606 Potential matrix (421.38474s) started
T12 << 1462289641.52918410 Potential matrix (422.35872s) stopped
T12 >> 1462289641.52926493 DistributedAtomicCorrection (169.85510s) started
T12 << 1462289641.95227504 DistributedAtomicCorrection (170.27811s) stopped
T12 >> 1462289641.95232296 Distribute overlap matrix (3129.04911s) started
T12 >> 1462289641.95236611 blocked summation (1750.67870s) started
T12 << 1462289646.20875597 blocked summation (1754.93509s) stopped
T12 >> 1462289646.21774197 Scalapack redistribute (1374.07844s) started
T12 << 1462289649.80152702 Scalapack redistribute (1377.66223s) stopped
T12 << 1462289649.80163598 Distribute overlap matrix (3136.89842s) stopped
T12 >> 1462289649.80654502 Blacs Orbital Layouts (23504.74354s) started
T12 >> 1462289649.81534696 General diagonalize (23409.34093s) started
T12 << 1462289702.45206404 General diagonalize (23461.97765s) stopped
T12 >> 1462289702.45215797 Redistribute coefs (3.51061s) started
T12 << 1462289702.46100402 Redistribute coefs (3.51946s) stopped
T12 >> 1462289702.46105003 Send coefs to domains (87.94281s) started
T12 << 1462289702.56415105 Send coefs to domains (88.04591s) stopped
T12 << 1462289702.56465101 Blacs Orbital Layouts (23557.50165s) stopped
T12 >> 1462289702.56468201 Calculate projections (765.33710s) started
T12 << 1462289704.34386396 Calculate projections (767.11628s) stopped
T12 << 1462289704.34406805 LCAO eigensolver (28056.29921s) stopped
T12 >> 1462289707.45126891 Density (6707.86900s) started
T12 >> 1462289707.45128608 Pseudo density (5192.48177s) started
T12 >> 1462289707.45448995 Calculate density matrix (4879.41714s) started
T12 << 1462289719.37695909 Calculate density matrix (4891.33961s) stopped
T12 >> 1462289719.37701511 Construct density (304.80221s) started
T12 << 1462289720.13899589 Construct density (305.56419s) stopped
T12 >> 1462289720.15550208 Symmetrize density (0.03472s) started
T12 << 1462289720.15558004 Symmetrize density (0.03480s) stopped
T12 << 1462289720.15807009 Pseudo density (5205.18855s) stopped
T12 >> 1462289720.15813804 Atomic density matrices (1334.36456s) started
T12 << 1462289723.60314107 Atomic density matrices (1337.80956s) stopped
T12 >> 1462289723.60317707 Multipole moments (4.49595s) started
T12 << 1462289723.61706710 Multipole moments (4.50984s) stopped
T12 >> 1462289723.61709595 Normalize (2.78081s) started
T12 << 1462289723.62393999 Normalize (2.78766s) stopped
T12 >> 1462289723.62399006 Mix (173.71444s) started
T12 << 1462289724.04213595 Mix (174.13258s) stopped
T12 << 1462289724.04220009 Density (6724.45994s) stopped
T12 >> 1462289724.04222798 Hamiltonian (19453.40867s) started
T12 >> 1462289724.04224396 vbar (11.10891s) started
T12 << 1462289724.06897807 vbar (11.13564s) stopped
T12 >> 1462289724.06910491 XC 3D grid (11583.86981s) started
T12 >> 1462289724.57227302 van der Waals (11191.37411s) started
T12 >> 1462289724.67817712 semilocal (2359.59805s) started
T12 << 1462289730.48889089 semilocal (2365.40876s) stopped
T12 >> 1462289730.56163597 redistribute (1210.57233s) started
T12 << 1462289731.52373505 redistribute (1211.53443s) stopped
T12 >> 1462289731.52378201 libvdwxc nonlocal (7543.12522s) started
T12 << 1462289750.48632503 libvdwxc nonlocal (7562.08777s) stopped
T12 >> 1462289750.48639107 redistribute (1211.53446s) started
T12 << 1462289752.19744897 redistribute (1213.24552s) stopped
T12 << 1462289752.19837594 van der Waals (11219.00021s) stopped
T12 << 1462289752.65537095 XC 3D grid (11612.45607s) stopped
T12 >> 1462289752.65541697 Poisson (2532.28979s) started
T12 << 1462289758.53364205 Poisson (2538.16802s) stopped
T12 >> 1462289758.53369308 Hartree integrate/restrict (150.74701s) started
T12 << 1462289758.58905697 Hartree integrate/restrict (150.80237s) stopped
T12 >> 1462289758.58910203 Hartree integrate/restrict (150.80240s) started
T12 << 1462289758.90038610 Hartree integrate/restrict (151.11368s) stopped
T12 >> 1462289758.90045500 Atomic (977.61040s) started
T12 >> 1462289758.90218592 XC Correction (0.01351s) started
T12 << 1462289758.90220404 XC Correction (0.01353s) stopped
T12 << 1462289761.29114294 Atomic (980.00109s) stopped
T12 >> 1462289761.29130411 Communicate (4197.60999s) started
T12 << 1462289776.69380689 Communicate (4213.01249s) stopped
T12 << 1462289776.69384599 Hamiltonian (19506.06028s) stopped
T12 >> 1462289776.69387197 LCAO eigensolver (28056.29923s) started
T12 >> 1462289776.69388509 Potential matrix (422.35877s) started
T12 << 1462289777.64248109 Potential matrix (423.30736s) stopped
T12 >> 1462289777.64254999 DistributedAtomicCorrection (170.27815s) started
T12 << 1462289778.05953002 DistributedAtomicCorrection (170.69513s) stopped
T12 >> 1462289778.05957603 Distribute overlap matrix (3136.89844s) started
T12 >> 1462289778.05961609 blocked summation (1754.93515s) started
T12 << 1462289782.23004103 blocked summation (1759.10558s) stopped
T12 >> 1462289782.23990703 Scalapack redistribute (1377.66229s) started
T12 << 1462289785.94312811 Scalapack redistribute (1381.36551s) stopped
T12 << 1462289785.94324708 Distribute overlap matrix (3144.78211s) stopped
T12 >> 1462289785.94869900 Blacs Orbital Layouts (23557.50167s) started
T12 >> 1462289785.95744896 General diagonalize (23461.97773s) started
T12 << 1462289838.91556597 General diagonalize (23514.93584s) stopped
T12 >> 1462289838.91562510 Redistribute coefs (3.51949s) started
T12 << 1462289838.92467904 Redistribute coefs (3.52855s) stopped
T12 >> 1462289838.92472410 Send coefs to domains (88.04595s) started
T12 << 1462289839.02376795 Send coefs to domains (88.14499s) stopped
T12 << 1462289839.02429104 Blacs Orbital Layouts (23610.57726s) stopped
T12 >> 1462289839.02432203 Calculate projections (767.11634s) started
T12 << 1462289840.79387403 Calculate projections (768.88589s) stopped
T12 << 1462289840.79422402 LCAO eigensolver (28120.39958s) stopped
T12 >> 1462289843.93339205 Density (6724.45995s) started
T12 >> 1462289843.93340707 Pseudo density (5205.18860s) started
T12 >> 1462289843.93545794 Calculate density matrix (4891.33964s) started
T12 << 1462289855.78141904 Calculate density matrix (4903.18561s) stopped
T12 >> 1462289855.78146791 Construct density (305.56425s) started
T12 << 1462289856.54274392 Construct density (306.32552s) stopped
T12 >> 1462289856.55675006 Symmetrize density (0.03481s) started
T12 << 1462289856.55681109 Symmetrize density (0.03487s) stopped
T12 << 1462289856.55892491 Pseudo density (5217.81412s) stopped
T12 >> 1462289856.55898499 Atomic density matrices (1337.80959s) started
T12 << 1462289860.02608991 Atomic density matrices (1341.27669s) stopped
T12 >> 1462289860.02612305 Multipole moments (4.50985s) started
T12 << 1462289860.04003406 Multipole moments (4.52376s) stopped
T12 >> 1462289860.04006100 Normalize (2.78769s) started
T12 << 1462289860.04624200 Normalize (2.79387s) stopped
T12 >> 1462289860.04629302 Mix (174.13265s) started
T12 << 1462289860.45232892 Mix (174.53868s) stopped
T12 << 1462289860.45241308 Density (6740.97897s) stopped
T12 >> 1462289860.45245194 Hamiltonian (19506.06030s) started
T12 >> 1462289860.45247006 vbar (11.13572s) started
T12 << 1462289860.47658992 vbar (11.15984s) stopped
T12 >> 1462289860.47667408 XC 3D grid (11612.45611s) started
T12 >> 1462289860.99765706 van der Waals (11219.00023s) started
T12 >> 1462289861.10273004 semilocal (2365.40884s) started
T12 << 1462289866.90055609 semilocal (2371.20667s) stopped
T12 >> 1462289866.97566295 redistribute (1213.24555s) started
T12 << 1462289867.98356295 redistribute (1214.25345s) stopped
T12 >> 1462289867.98361611 libvdwxc nonlocal (7562.08782s) started
T12 << 1462289886.88937807 libvdwxc nonlocal (7580.99358s) stopped
T12 >> 1462289886.88944101 redistribute (1214.25349s) started
T12 << 1462289888.58491898 redistribute (1215.94896s) stopped
T12 << 1462289888.58602810 van der Waals (11246.58860s) stopped
T12 << 1462289889.04667592 XC 3D grid (11641.02611s) stopped
T12 >> 1462289889.04673290 Poisson (2538.16806s) started
T12 << 1462289894.98738098 Poisson (2544.10871s) stopped
T12 >> 1462289894.98747706 Hartree integrate/restrict (151.11372s) started
T12 << 1462289895.04245210 Hartree integrate/restrict (151.16869s) stopped
T12 >> 1462289895.04249907 Hartree integrate/restrict (151.16872s) started
T12 << 1462289895.35042000 Hartree integrate/restrict (151.47664s) stopped
T12 >> 1462289895.35052204 Atomic (980.00111s) started
T12 >> 1462289895.35245705 XC Correction (0.01354s) started
T12 << 1462289895.35248590 XC Correction (0.01357s) stopped
T12 << 1462289897.74384594 Atomic (982.39444s) stopped
T12 >> 1462289897.74399495 Communicate (4213.01252s) started
T12 << 1462289912.36650109 Communicate (4227.63502s) stopped
T12 << 1462289912.36653996 Hamiltonian (19557.97438s) stopped
T12 >> 1462289912.36656499 LCAO eigensolver (28120.39960s) started
T12 >> 1462289912.36657810 Potential matrix (423.30740s) started
T12 << 1462289913.32740402 Potential matrix (424.26823s) stopped
T12 >> 1462289913.32748508 DistributedAtomicCorrection (170.69517s) started
T12 << 1462289913.74532890 DistributedAtomicCorrection (171.11301s) stopped
T12 >> 1462289913.74539804 Distribute overlap matrix (3144.78212s) started
T12 >> 1462289913.74541998 blocked summation (1759.10561s) started
T12 << 1462289918.02626300 blocked summation (1763.38645s) stopped
T12 >> 1462289918.03649092 Scalapack redistribute (1381.36558s) started
T12 << 1462289921.51142693 Scalapack redistribute (1384.84052s) stopped
T12 << 1462289921.51149607 Distribute overlap matrix (3152.54822s) stopped
T12 >> 1462289921.51582909 Blacs Orbital Layouts (23610.57728s) started
T12 >> 1462289921.52422309 General diagonalize (23514.93589s) started
T12 << 1462289973.72126389 General diagonalize (23567.13293s) stopped
T12 >> 1462289973.72130895 Redistribute coefs (3.52858s) started
T12 << 1462289973.72853398 Redistribute coefs (3.53580s) stopped
T12 >> 1462289973.72861505 Send coefs to domains (88.14503s) started
T12 << 1462289973.94534993 Send coefs to domains (88.36177s) stopped
T12 << 1462289973.94592404 Blacs Orbital Layouts (23663.00738s) stopped
T12 >> 1462289973.94595695 Calculate projections (768.88594s) started
T12 << 1462289975.71425891 Calculate projections (770.65424s) stopped
T12 << 1462289975.71460605 LCAO eigensolver (28183.74764s) stopped
T12 >> 1462289978.84712005 Density (6740.97899s) started
T12 >> 1462289978.84713507 Pseudo density (5217.81417s) started
T12 >> 1462289978.84921288 Calculate density matrix (4903.18564s) started
T12 << 1462289990.71596503 Calculate density matrix (4915.05239s) stopped
T12 >> 1462289990.71601391 Construct density (306.32557s) started
T12 << 1462289991.47564411 Construct density (307.08520s) stopped
T12 >> 1462289991.48971796 Symmetrize density (0.03489s) started
T12 << 1462289991.48977590 Symmetrize density (0.03495s) stopped
T12 << 1462289991.49188495 Pseudo density (5230.45892s) stopped
T12 >> 1462289991.49194288 Atomic density matrices (1341.27672s) started
T12 << 1462289994.85444689 Atomic density matrices (1344.63922s) stopped
T12 >> 1462289994.85448003 Multipole moments (4.52378s) started
T12 << 1462289994.86839604 Multipole moments (4.53769s) stopped
T12 >> 1462289994.86842394 Normalize (2.79391s) started
T12 << 1462289994.87458396 Normalize (2.80007s) stopped
T12 >> 1462289994.87466311 Mix (174.53877s) started
T12 << 1462289995.32944202 Mix (174.99355s) stopped
T12 << 1462289995.32952189 Density (6757.46139s) stopped
T12 >> 1462289995.32955408 Hamiltonian (19557.97440s) started
T12 >> 1462289995.32956910 vbar (11.15989s) started
T12 << 1462289995.35430694 vbar (11.18463s) stopped
T12 >> 1462289995.35441804 XC 3D grid (11641.02616s) started
T12 >> 1462289995.86207104 van der Waals (11246.58863s) started
T12 >> 1462289995.96477389 semilocal (2371.20675s) started
T12 << 1462290001.72746205 semilocal (2376.96944s) stopped
T12 >> 1462290001.81961608 redistribute (1215.94903s) started
T12 << 1462290002.85475993 redistribute (1216.98417s) stopped
T12 >> 1462290002.85480595 libvdwxc nonlocal (7580.99362s) started
T12 << 1462290020.97521901 libvdwxc nonlocal (7599.11404s) stopped
T12 >> 1462290020.97528791 redistribute (1216.98421s) started
T12 << 1462290022.79661393 redistribute (1218.80553s) stopped
T12 << 1462290022.79778290 van der Waals (11273.52434s) stopped
T12 << 1462290023.25115991 XC 3D grid (11668.92290s) stopped
T12 >> 1462290023.25119996 Poisson (2544.10878s) started
T12 << 1462290027.60352206 Poisson (2548.46110s) stopped
T12 >> 1462290027.60365009 Hartree integrate/restrict (151.47670s) started
T12 << 1462290027.64871812 Hartree integrate/restrict (151.52177s) stopped
T12 >> 1462290027.64881206 Hartree integrate/restrict (151.52183s) started
T12 << 1462290027.95934391 Hartree integrate/restrict (151.83236s) stopped
T12 >> 1462290027.95944190 Atomic (982.39446s) started
T12 >> 1462290027.96122098 XC Correction (0.01358s) started
T12 << 1462290027.96123505 XC Correction (0.01360s) stopped
T12 << 1462290030.35822701 Atomic (984.79325s) stopped
T12 >> 1462290030.35836697 Communicate (4227.63505s) started
T12 << 1462290044.98342299 Communicate (4242.26010s) stopped
T12 << 1462290044.98345995 Hamiltonian (19607.62830s) stopped
T12 >> 1462290044.98348498 LCAO eigensolver (28183.74768s) started
T12 >> 1462290044.98349810 Potential matrix (424.26828s) started
T12 << 1462290045.95570993 Potential matrix (425.24049s) stopped
T12 >> 1462290045.95578790 DistributedAtomicCorrection (171.11305s) started
T12 << 1462290046.37845993 DistributedAtomicCorrection (171.53572s) stopped
T12 >> 1462290046.37852812 Distribute overlap matrix (3152.54823s) started
T12 >> 1462290046.37855005 blocked summation (1763.38648s) started
T12 << 1462290050.70064998 blocked summation (1767.70858s) stopped
T12 >> 1462290050.71044803 Scalapack redistribute (1384.84055s) started
T12 << 1462290054.12199998 Scalapack redistribute (1388.25210s) stopped
T12 << 1462290054.12207007 Distribute overlap matrix (3160.29177s) stopped
T12 >> 1462290054.12674403 Blacs Orbital Layouts (23663.00740s) started
T12 >> 1462290054.13559699 General diagonalize (23567.13296s) started
T12 << 1462290106.56726289 General diagonalize (23619.56463s) stopped
T12 >> 1462290106.56732988 Redistribute coefs (3.53587s) started
T12 << 1462290106.57456207 Redistribute coefs (3.54310s) stopped
T12 >> 1462290106.57465696 Send coefs to domains (88.36180s) started
T12 << 1462290106.66197491 Send coefs to domains (88.44912s) stopped
T12 << 1462290106.66257501 Blacs Orbital Layouts (23715.54323s) stopped
T12 >> 1462290106.66260505 Calculate projections (770.65429s) started
T12 << 1462290108.43223190 Calculate projections (772.42392s) stopped
T12 << 1462290108.43259501 LCAO eigensolver (28247.19679s) stopped
T12 >> 1462290111.53853297 Density (6757.46140s) started
T12 >> 1462290111.53854799 Pseudo density (5230.45897s) started
T12 >> 1462290111.54077792 Calculate density matrix (4915.05243s) started
T12 << 1462290123.40430093 Calculate density matrix (4926.91595s) stopped
T12 >> 1462290123.40434790 Construct density (307.08525s) started
T12 << 1462290124.16465402 Construct density (307.84556s) stopped
T12 >> 1462290124.17867088 Symmetrize density (0.03496s) started
T12 << 1462290124.17872810 Symmetrize density (0.03502s) stopped
T12 << 1462290124.18082404 Pseudo density (5243.10124s) stopped
T12 >> 1462290124.18088102 Atomic density matrices (1344.63925s) started
T12 << 1462290127.53934598 Atomic density matrices (1347.99771s) stopped
T12 >> 1462290127.53938007 Multipole moments (4.53771s) started
T12 << 1462290127.55267191 Multipole moments (4.55100s) stopped
T12 >> 1462290127.55269790 Normalize (2.80013s) started
T12 << 1462290127.55899906 Normalize (2.80643s) stopped
T12 >> 1462290127.55904794 Mix (174.99362s) started
T12 << 1462290127.96137810 Mix (175.39595s) stopped
T12 << 1462290127.96150088 Density (6773.88437s) stopped
T12 >> 1462290127.96154189 Hamiltonian (19607.62832s) started
T12 >> 1462290127.96156192 vbar (11.18469s) started
T12 << 1462290127.98928595 vbar (11.21242s) stopped
T12 >> 1462290127.98940206 XC 3D grid (11668.92293s) started
T12 >> 1462290128.49848199 van der Waals (11273.52437s) started
T12 >> 1462290128.60235810 semilocal (2376.96954s) started
T12 << 1462290134.34774303 semilocal (2382.71493s) stopped
T12 >> 1462290134.43184090 redistribute (1218.80559s) started
T12 << 1462290135.47266006 redistribute (1219.84641s) stopped
T12 >> 1462290135.47270298 libvdwxc nonlocal (7599.11409s) started
T12 << 1462290153.99069405 libvdwxc nonlocal (7617.63208s) stopped
T12 >> 1462290153.99075699 redistribute (1219.84644s) started
T12 << 1462290155.69250107 redistribute (1221.54819s) stopped
T12 << 1462290155.69377899 van der Waals (11300.71967s) stopped
T12 << 1462290156.15153599 XC 3D grid (11697.08506s) stopped
T12 >> 1462290156.15159512 Poisson (2548.46120s) started
T12 << 1462290160.51953101 Poisson (2552.82914s) stopped
T12 >> 1462290160.51965690 Hartree integrate/restrict (151.83241s) started
T12 << 1462290160.56471300 Hartree integrate/restrict (151.87747s) stopped
T12 >> 1462290160.56481004 Hartree integrate/restrict (151.87754s) started
T12 << 1462290160.93969011 Hartree integrate/restrict (152.25242s) stopped
T12 >> 1462290160.93978596 Atomic (984.79327s) started
T12 >> 1462290160.94153690 XC Correction (0.01361s) started
T12 << 1462290160.94155192 XC Correction (0.01362s) stopped
T12 << 1462290163.33963299 Atomic (987.19312s) stopped
T12 >> 1462290163.33976197 Communicate (4242.26013s) started
T12 << 1462290177.97718310 Communicate (4256.89755s) stopped
T12 << 1462290177.97722101 Hamiltonian (19657.64400s) stopped
T12 >> 1462290177.97724700 LCAO eigensolver (28247.19681s) started
T12 >> 1462290177.97726011 Potential matrix (425.24053s) started
T12 << 1462290178.95036507 Potential matrix (426.21364s) stopped
T12 >> 1462290178.95043993 DistributedAtomicCorrection (171.53576s) started
T12 << 1462290179.37446904 DistributedAtomicCorrection (171.95979s) stopped
T12 >> 1462290179.37453699 Distribute overlap matrix (3160.29179s) started
T12 >> 1462290179.37455893 blocked summation (1767.70861s) started
T12 << 1462290183.71649790 blocked summation (1772.05055s) stopped
T12 >> 1462290183.72600508 Scalapack redistribute (1388.25214s) started
T12 << 1462290187.09353590 Scalapack redistribute (1391.61967s) stopped
T12 << 1462290187.09363890 Distribute overlap matrix (3168.01089s) stopped
T12 >> 1462290187.09803295 Blacs Orbital Layouts (23715.54325s) started
T12 >> 1462290187.10681796 General diagonalize (23619.56469s) started
T12 << 1462290242.35487199 General diagonalize (23674.81274s) stopped
T12 >> 1462290242.35494804 Redistribute coefs (3.54318s) started
T12 << 1462290242.36246705 Redistribute coefs (3.55070s) stopped
T12 >> 1462290242.36255503 Send coefs to domains (88.44916s) started
T12 << 1462290242.57438993 Send coefs to domains (88.66099s) stopped
T12 << 1462290242.57479596 Blacs Orbital Layouts (23771.02001s) stopped
T12 >> 1462290242.57482290 Calculate projections (772.42397s) started
T12 << 1462290244.34649110 Calculate projections (774.19563s) stopped
T12 << 1462290244.34684610 LCAO eigensolver (28313.56641s) stopped
T12 >> 1462290247.44920397 Density (6773.88439s) started
T12 >> 1462290247.44921994 Pseudo density (5243.10129s) started
T12 >> 1462290247.45104098 Calculate density matrix (4926.91599s) started
T12 << 1462290259.34089398 Calculate density matrix (4938.80584s) stopped
T12 >> 1462290259.34094310 Construct density (307.84561s) started
T12 << 1462290260.10302496 Construct density (308.60769s) stopped
T12 >> 1462290260.11712408 Symmetrize density (0.03504s) started
T12 << 1462290260.11718106 Symmetrize density (0.03510s) stopped
T12 << 1462290260.11929488 Pseudo density (5255.77136s) stopped
T12 >> 1462290260.11935306 Atomic density matrices (1347.99774s) started
T12 << 1462290263.48281407 Atomic density matrices (1351.36120s) stopped
T12 >> 1462290263.48284602 Multipole moments (4.55102s) started
T12 << 1462290263.49671888 Multipole moments (4.56489s) stopped
T12 >> 1462290263.49674702 Normalize (2.80647s) started
T12 << 1462290263.50325108 Normalize (2.81297s) stopped
T12 >> 1462290263.50330710 Mix (175.39607s) started
T12 << 1462290263.92990708 Mix (175.82267s) stopped
T12 << 1462290263.92997789 Density (6790.36516s) stopped
T12 >> 1462290263.93001008 Hamiltonian (19657.64401s) started
T12 >> 1462290263.93002605 vbar (11.21248s) started
T12 << 1462290263.95585704 vbar (11.23832s) stopped
T12 >> 1462290263.95595908 XC 3D grid (11697.08511s) started
T12 >> 1462290264.49481297 van der Waals (11300.71970s) started
T12 >> 1462290264.60000205 semilocal (2382.71503s) started
T12 << 1462290270.49398804 semilocal (2388.60902s) stopped
T12 >> 1462290270.56809211 redistribute (1221.54824s) started
T12 << 1462290271.50675511 redistribute (1222.48690s) stopped
T12 >> 1462290271.50679994 libvdwxc nonlocal (7617.63213s) started
T12 << 1462290290.53752804 libvdwxc nonlocal (7636.66286s) stopped
T12 >> 1462290290.53759098 redistribute (1222.48694s) started
T12 << 1462290292.22945809 redistribute (1224.17881s) stopped
T12 << 1462290292.23069501 van der Waals (11328.45558s) stopped
T12 << 1462290292.69586897 XC 3D grid (11725.82502s) stopped
T12 >> 1462290292.69590902 Poisson (2552.82924s) started
T12 << 1462290297.14314103 Poisson (2557.27647s) stopped
T12 >> 1462290297.14320302 Hartree integrate/restrict (152.25246s) started
T12 << 1462290297.19846702 Hartree integrate/restrict (152.30773s) stopped
T12 >> 1462290297.19851208 Hartree integrate/restrict (152.30776s) started
T12 << 1462290297.53894496 Hartree integrate/restrict (152.64819s) stopped
T12 >> 1462290297.53905296 Atomic (987.19314s) started
T12 >> 1462290297.54103994 XC Correction (0.01363s) started
T12 << 1462290297.54105902 XC Correction (0.01365s) stopped
T12 << 1462290299.91765904 Atomic (989.57175s) stopped
T12 >> 1462290299.91778588 Communicate (4256.89757s) started
T12 << 1462290314.57066298 Communicate (4271.55045s) stopped
T12 << 1462290314.57069993 Hamiltonian (19708.28470s) stopped
T12 >> 1462290314.57072592 LCAO eigensolver (28313.56643s) started
T12 >> 1462290314.57073903 Potential matrix (426.21368s) started
T12 << 1462290315.54228711 Potential matrix (427.18523s) stopped
T12 >> 1462290315.54235411 DistributedAtomicCorrection (171.95983s) started
T12 << 1462290315.96455193 DistributedAtomicCorrection (172.38203s) stopped
T12 >> 1462290315.96462202 Distribute overlap matrix (3168.01090s) started
T12 >> 1462290315.96464396 blocked summation (1772.05058s) started
T12 << 1462290320.30011892 blocked summation (1776.38606s) stopped
T12 >> 1462290320.30951095 Scalapack redistribute (1391.61974s) started
T12 << 1462290323.64675307 Scalapack redistribute (1394.95698s) stopped
T12 << 1462290323.64685607 Distribute overlap matrix (3175.69313s) stopped
T12 >> 1462290323.65088511 Blacs Orbital Layouts (23771.02003s) started
T12 >> 1462290323.65934706 General diagonalize (23674.81280s) started
T12 << 1462290375.54022503 General diagonalize (23726.69368s) stopped
T12 >> 1462290375.54027009 Redistribute coefs (3.55077s) started
T12 << 1462290375.54803991 Redistribute coefs (3.55854s) stopped
T12 >> 1462290375.54810905 Send coefs to domains (88.66103s) started
T12 << 1462290375.80545902 Send coefs to domains (88.91838s) stopped
T12 << 1462290375.80590391 Blacs Orbital Layouts (23823.17505s) stopped
T12 >> 1462290375.80593109 Calculate projections (774.19568s) started
T12 << 1462290377.57801700 Calculate projections (775.96777s) stopped
T12 << 1462290377.57836890 LCAO eigensolver (28376.57407s) stopped
T12 >> 1462290380.68219900 Density (6790.36518s) started
T12 >> 1462290380.68221593 Pseudo density (5255.77141s) started
T12 >> 1462290380.68402791 Calculate density matrix (4938.80588s) started
T12 << 1462290392.55099392 Calculate density matrix (4950.67284s) stopped
T12 >> 1462290392.55104303 Construct density (308.60774s) started
T12 << 1462290393.31361604 Construct density (309.37031s) stopped
T12 >> 1462290393.32754898 Symmetrize density (0.03511s) started
T12 << 1462290393.32760596 Symmetrize density (0.03517s) stopped
T12 << 1462290393.32972002 Pseudo density (5268.41891s) stopped
T12 >> 1462290393.32978106 Atomic density matrices (1351.36122s) started
T12 << 1462290396.74087691 Atomic density matrices (1354.77232s) stopped
T12 >> 1462290396.74091005 Multipole moments (4.56491s) started
T12 << 1462290396.75486112 Multipole moments (4.57886s) stopped
T12 >> 1462290396.75488901 Normalize (2.81301s) started
T12 << 1462290396.76114392 Normalize (2.81927s) stopped
T12 >> 1462290396.76119304 Mix (175.82274s) started
T12 << 1462290397.17864108 Mix (176.24019s) stopped
T12 << 1462290397.17870688 Density (6806.86169s) stopped
T12 >> 1462290397.17873597 Hamiltonian (19708.28471s) started
T12 >> 1462290397.17875099 vbar (11.23837s) started
T12 << 1462290397.20005012 vbar (11.25967s) stopped
T12 >> 1462290397.20014501 XC 3D grid (11725.82505s) started
T12 >> 1462290397.75641799 van der Waals (11328.45560s) started
T12 >> 1462290397.86174297 semilocal (2388.60907s) started
T12 << 1462290403.64752102 semilocal (2394.39485s) stopped
T12 >> 1462290403.72205591 redistribute (1224.17886s) started
T12 << 1462290404.74142408 redistribute (1225.19823s) stopped
T12 >> 1462290404.74146509 libvdwxc nonlocal (7636.66290s) started
T12 << 1462290423.81749105 libvdwxc nonlocal (7655.73893s) stopped
T12 >> 1462290423.81754398 redistribute (1225.19826s) started
T12 << 1462290425.45468402 redistribute (1226.83540s) stopped
T12 << 1462290425.45574307 van der Waals (11356.15493s) stopped
T12 << 1462290425.91706610 XC 3D grid (11754.54197s) stopped
T12 >> 1462290425.91712689 Poisson (2557.27652s) started
T12 << 1462290430.32804799 Poisson (2561.68744s) stopped
T12 >> 1462290430.32813597 Hartree integrate/restrict (152.64824s) started
T12 << 1462290430.38287711 Hartree integrate/restrict (152.70298s) stopped
T12 >> 1462290430.38292193 Hartree integrate/restrict (152.70301s) started
T12 << 1462290430.72834802 Hartree integrate/restrict (153.04843s) stopped
T12 >> 1462290430.72844791 Atomic (989.57177s) started
T12 >> 1462290430.73018909 XC Correction (0.01367s) started
T12 << 1462290430.73021412 XC Correction (0.01369s) stopped
T12 << 1462290433.12180305 Atomic (991.96513s) stopped
T12 >> 1462290433.12191606 Communicate (4271.55048s) started
T12 << 1462290447.74315405 Communicate (4286.17171s) stopped
T12 << 1462290447.74319100 Hamiltonian (19758.84916s) stopped
T12 >> 1462290447.74321604 LCAO eigensolver (28376.57409s) started
T12 >> 1462290447.74322891 Potential matrix (427.18527s) started
T12 << 1462290448.71368003 Potential matrix (428.15572s) stopped
T12 >> 1462290448.71378207 DistributedAtomicCorrection (172.38207s) started
T12 << 1462290449.13003111 DistributedAtomicCorrection (172.79831s) stopped
T12 >> 1462290449.13009810 Distribute overlap matrix (3175.69315s) started
T12 >> 1462290449.13012004 blocked summation (1776.38609s) started
T12 << 1462290453.46269011 blocked summation (1780.71866s) stopped
T12 >> 1462290453.47247601 Scalapack redistribute (1394.95704s) started
T12 << 1462290456.85482192 Scalapack redistribute (1398.33939s) stopped
T12 << 1462290456.85489607 Distribute overlap matrix (3183.41794s) stopped
T12 >> 1462290456.85913610 Blacs Orbital Layouts (23823.17507s) started
T12 >> 1462290456.86803508 General diagonalize (23726.69372s) started
T12 << 1462290511.73712611 General diagonalize (23781.56281s) stopped
T12 >> 1462290511.73717189 Redistribute coefs (3.55859s) started
T12 << 1462290511.74443293 Redistribute coefs (3.56585s) stopped
T12 >> 1462290511.74451590 Send coefs to domains (88.91841s) started
T12 << 1462290511.95454597 Send coefs to domains (89.12844s) stopped
T12 << 1462290511.95501304 Blacs Orbital Layouts (23878.27095s) stopped
T12 >> 1462290511.95504093 Calculate projections (775.96782s) started
T12 << 1462290513.72567391 Calculate projections (777.73846s) stopped
T12 << 1462290513.72603011 LCAO eigensolver (28442.55690s) stopped
T12 << 1462290516.83042192 SCF-cycle (56424.33188s) stopped
T12 >> 1462290518.89119005 Force calculation (2350.20392s) started
T12 >> 1462290518.89126205 LCAO forces (2324.56002s) started
T12 >> 1462290518.89162588 Initial (0.00069s) started
T12 << 1462290518.89163709 Initial (0.00070s) stopped
T12 >> 1462290518.91726708 Get density matrix (1224.66907s) started
T12 << 1462290528.03448701 Get density matrix (1233.78629s) stopped
T12 >> 1462290528.03455400 Potential (184.55656s) started
T12 << 1462290534.04176593 Potential (190.56378s) stopped
T12 >> 1462290534.04182410 Get density matrix (1233.78634s) started
T12 << 1462290564.96568799 Get density matrix (1264.71021s) stopped
T12 >> 1462290564.96575904 Prepare TCI loop (64.48653s) started
T12 >> 1462290564.96628189 Get neighbors (58.50601s) started
T12 << 1462290566.79626703 Get neighbors (60.33600s) stopped
T12 >> 1462290566.79719496 broadcast dH (5.94666s) started
T12 << 1462290567.06732607 broadcast dH (6.21679s) stopped
T12 << 1462290567.06736803 Prepare TCI loop (66.58814s) stopped
T12 >> 1462290567.06738710 Not so complicated loop (3.58907s) started
T12 << 1462290567.18161798 Not so complicated loop (3.70331s) stopped
T12 >> 1462290567.37019610 Complicated loop (553.44347s) started
T12 << 1462290586.04868507 Complicated loop (572.12196s) stopped
T12 >> 1462290586.04972196 Wait for sum (290.03983s) started
T12 << 1462290596.16293597 Wait for sum (300.15304s) stopped
T12 << 1462290596.16297412 LCAO forces (2401.83173s) stopped
T12 << 1462290596.97825503 Force calculation (2428.29099s) stopped
T12 >> 1462290596.99603796 Initialization (3866.38984s) started
T12 << 1462290596.99620509 Initialization (3866.39000s) stopped
T12 >> 1462290596.99642110 Initialization (3866.39002s) started
T12 << 1462290596.99655294 Initialization (3866.39015s) stopped
T12 >> 1462290596.99668908 Initialization (3866.39017s) started
T12 << 1462290596.99682212 Initialization (3866.39030s) stopped
T12 >> 1462290617.34051394 Initialization (3866.39032s) started
T12 >> 1462290617.42038107 Basic WFS set positions (2.71012s) started
T12 >> 1462290617.42040491 Redistribute (0.01134s) started
T12 << 1462290617.42053890 Redistribute (0.01147s) stopped
T12 << 1462290617.51079392 Basic WFS set positions (2.80053s) stopped
T12 >> 1462290617.51082110 Basis functions set positions (55.81693s) started
T12 << 1462290619.36146903 Basis functions set positions (57.66757s) stopped
T12 >> 1462290619.36197591 TCI: Calculate S, T, P (468.52899s) started
T12 << 1462290634.62217212 TCI: Calculate S, T, P (483.78919s) stopped
T12 >> 1462290634.62222600 blocked summation (665.14770s) started
T12 << 1462290658.27044106 blocked summation (688.79592s) stopped
T12 >> 1462290658.28012490 Scalapack redistribute (262.85689s) started
T12 << 1462290669.91502190 Scalapack redistribute (274.49179s) stopped
T12 >> 1462290669.91605306 blocked summation (688.79595s) started
T12 << 1462290670.89385009 blocked summation (689.77375s) stopped
T12 >> 1462290670.90351105 Scalapack redistribute (274.49185s) started
T12 << 1462290671.11023402 Scalapack redistribute (274.69858s) stopped
T12 >> 1462290671.11220789 Redistribute (0.08836s) started
T12 << 1462290671.11273909 Redistribute (0.08889s) stopped
T12 >> 1462290672.81593990 Redistribute (0.08891s) started
T12 << 1462290672.81639504 Redistribute (0.08936s) stopped
T12 >> 1462290672.83129406 LCAO WFS Initialize (2348.37803s) started
T12 >> 1462290672.83133411 Density initialize from wavefunctions (441.24239s) started
T12 >> 1462290672.83605194 Calculate density matrix (306.20794s) started
T12 << 1462290682.64243102 Calculate density matrix (316.01432s) stopped
T12 >> 1462290682.64247990 Construct density (23.11546s) started
T12 << 1462290683.40154910 Construct density (23.87453s) stopped
T12 >> 1462290683.41584992 Symmetrize density (0.00248s) started
T12 << 1462290683.41591907 Symmetrize density (0.00255s) stopped
T12 << 1462290687.05696201 Density initialize from wavefunctions (455.46802s) stopped
T12 >> 1462290687.05724502 Hamiltonian (1906.21302s) started
T12 >> 1462290687.05726290 vbar (0.89958s) started
T12 << 1462290687.08123207 vbar (0.92355s) stopped
T12 >> 1462290687.08132792 XC 3D grid (918.18349s) started
T12 >> 1462290687.64447904 van der Waals (887.37722s) started
T12 >> 1462290687.75636911 semilocal (185.36817s) started
T12 << 1462290693.55834103 semilocal (191.17014s) stopped
T12 >> 1462290693.62912011 redistribute (105.47773s) started
T12 << 1462290694.61202002 redistribute (106.46063s) stopped
T12 >> 1462290694.61207199 libvdwxc nonlocal (590.41247s) started
T12 << 1462290712.90745902 libvdwxc nonlocal (608.70786s) stopped
T12 >> 1462290712.90752196 redistribute (106.46066s) started
T12 << 1462290714.75079894 redistribute (108.30394s) stopped
T12 << 1462290714.75193501 van der Waals (914.48467s) stopped
T12 << 1462290715.21044302 XC 3D grid (946.31260s) stopped
T12 >> 1462290715.21050191 Poisson (491.39821s) started
T12 << 1462290734.00016689 Poisson (510.18787s) stopped
T12 >> 1462290734.00028801 Hartree integrate/restrict (11.85370s) started
T12 << 1462290734.04749799 Hartree integrate/restrict (11.90091s) stopped
T12 >> 1462290734.04754710 Hartree integrate/restrict (11.90094s) started
T12 << 1462290734.35838389 Hartree integrate/restrict (12.21178s) stopped
T12 >> 1462290734.35847306 Atomic (75.55497s) started
T12 >> 1462290734.36059809 XC Correction (0.00124s) started
T12 << 1462290734.36062407 XC Correction (0.00127s) stopped
T12 << 1462290736.74963689 Atomic (77.94614s) stopped
T12 >> 1462290736.74980903 Communicate (408.28379s) started
T12 << 1462290753.65955710 Communicate (425.19353s) stopped
T12 << 1462290753.65959311 Hamiltonian (1972.81537s) stopped
T12 << 1462290753.65960598 LCAO WFS Initialize (2429.20634s) stopped
T12 << 1462290753.67174792 Initialization (4002.72155s) stopped
T12 >> 1462290753.69766498 SCF-cycle (56424.33190s) started
T12 >> 1462290753.69769907 LCAO eigensolver (28442.55692s) started
T12 >> 1462290753.69771194 Potential matrix (428.15579s) started
T12 << 1462290754.66786695 Potential matrix (429.12594s) stopped
T12 >> 1462290754.66793799 DistributedAtomicCorrection (172.79835s) started
T12 << 1462290755.07629991 DistributedAtomicCorrection (173.20671s) stopped
T12 >> 1462290755.07634711 Distribute overlap matrix (3183.41796s) started
T12 >> 1462290755.07638097 blocked summation (1780.71869s) started
T12 << 1462290759.31948090 blocked summation (1784.96179s) stopped
T12 >> 1462290759.32810307 Scalapack redistribute (1398.33943s) started
T12 << 1462290762.82874990 Scalapack redistribute (1401.84007s) stopped
T12 << 1462290762.82885909 Distribute overlap matrix (3191.17047s) stopped
T12 >> 1462290762.83306789 Blacs Orbital Layouts (23878.27096s) started
T12 >> 1462290762.84223008 General diagonalize (23781.56285s) started
T12 << 1462290815.45041990 General diagonalize (23834.17104s) stopped
T12 >> 1462290815.45054412 Redistribute coefs (3.56592s) started
T12 << 1462290815.45950198 Redistribute coefs (3.57488s) stopped
T12 >> 1462290815.45954800 Send coefs to domains (89.12848s) started
T12 << 1462290815.77815795 Send coefs to domains (89.44709s) stopped
T12 << 1462290815.77872300 Blacs Orbital Layouts (23931.21662s) stopped
T12 >> 1462290815.77875400 Calculate projections (777.73851s) started
T12 << 1462290817.55765390 Calculate projections (779.51741s) stopped
T12 << 1462290817.55791497 LCAO eigensolver (28506.41714s) stopped
T12 >> 1462290820.64666200 Density (6806.86170s) started
T12 >> 1462290820.64667797 Pseudo density (5268.41896s) started
T12 >> 1462290820.64937592 Calculate density matrix (4950.67288s) started
T12 << 1462290832.54474211 Calculate density matrix (4962.56824s) stopped
T12 >> 1462290832.54479790 Construct density (309.37036s) started
T12 << 1462290833.30728793 Construct density (310.13285s) stopped
T12 >> 1462290833.32354498 Symmetrize density (0.03519s) started
T12 << 1462290833.32362390 Symmetrize density (0.03527s) stopped
T12 << 1462290833.32612109 Pseudo density (5281.09840s) stopped
T12 >> 1462290833.32619095 Atomic density matrices (1354.77234s) started
T12 << 1462290836.69048405 Atomic density matrices (1358.13664s) stopped
T12 >> 1462290836.69052005 Multipole moments (4.57887s) started
T12 << 1462290836.70348811 Multipole moments (4.59184s) stopped
T12 >> 1462290836.70351195 Normalize (2.81930s) started
T12 << 1462290836.71012092 Normalize (2.82591s) stopped
T12 >> 1462290836.71017003 Mix (176.24026s) started
T12 << 1462290837.09616899 Mix (176.62625s) stopped
T12 << 1462290837.09622908 Density (6823.31127s) stopped
T12 >> 1462290837.09625793 Hamiltonian (19758.84918s) started
T12 >> 1462290837.09627295 vbar (11.25973s) started
T12 << 1462290837.12428999 vbar (11.28775s) stopped
T12 >> 1462290837.12445807 XC 3D grid (11754.54202s) started
T12 >> 1462290837.62044191 van der Waals (11356.15495s) started
T12 >> 1462290837.73584700 semilocal (2394.39498s) started
T12 << 1462290843.53584909 semilocal (2400.19498s) stopped
T12 >> 1462290843.60943198 redistribute (1226.83546s) started
T12 << 1462290844.60817790 redistribute (1227.83421s) stopped
T12 >> 1462290844.60822892 libvdwxc nonlocal (7655.73897s) started
T12 << 1462290862.48270607 libvdwxc nonlocal (7673.61345s) stopped
T12 >> 1462290862.48278999 redistribute (1227.83425s) started
T12 << 1462290864.61286807 redistribute (1229.96432s) stopped
T12 << 1462290864.61415005 van der Waals (11383.14866s) stopped
T12 << 1462290865.07412505 XC 3D grid (11782.49169s) stopped
T12 >> 1462290865.07417297 Poisson (2561.68751s) started
T12 << 1462290870.83699012 Poisson (2567.45033s) stopped
T12 >> 1462290870.83711600 Hartree integrate/restrict (153.04849s) started
T12 << 1462290870.87614298 Hartree integrate/restrict (153.08752s) stopped
T12 >> 1462290870.87629700 Hartree integrate/restrict (153.08762s) started
T12 << 1462290871.20342708 Hartree integrate/restrict (153.41475s) stopped
T12 >> 1462290871.20353103 Atomic (991.96515s) started
T12 >> 1462290871.20552111 XC Correction (0.01370s) started
T12 << 1462290871.20553493 XC Correction (0.01372s) stopped
T12 << 1462290873.58940911 Atomic (994.35103s) stopped
T12 >> 1462290873.58960795 Communicate (4286.17174s) started
T12 << 1462290890.50171900 Communicate (4303.08385s) stopped
T12 << 1462290890.50174809 Hamiltonian (19812.25467s) stopped
T12 >> 1462290890.50177097 LCAO eigensolver (28506.41716s) started
T12 >> 1462290890.50178289 Potential matrix (429.12599s) started
T12 << 1462290891.46213388 Potential matrix (430.08634s) stopped
T12 >> 1462290891.46222901 DistributedAtomicCorrection (173.20675s) started
T12 << 1462290891.87224507 DistributedAtomicCorrection (173.61677s) stopped
T12 >> 1462290891.87229395 Distribute overlap matrix (3191.17048s) started
T12 >> 1462290891.87233305 blocked summation (1784.96182s) started
T12 << 1462290896.12944388 blocked summation (1789.21893s) stopped
T12 >> 1462290896.13931894 Scalapack redistribute (1401.84014s) started
T12 << 1462290899.72361588 Scalapack redistribute (1405.42444s) stopped
T12 << 1462290899.72374296 Distribute overlap matrix (3199.02193s) stopped
T12 >> 1462290899.72842693 Blacs Orbital Layouts (23931.21664s) started
T12 >> 1462290899.73733711 General diagonalize (23834.17115s) started
T12 << 1462290955.83568811 General diagonalize (23890.26950s) stopped
T12 >> 1462290955.83576488 Redistribute coefs (3.57492s) started
T12 << 1462290955.84511209 Redistribute coefs (3.58426s) stopped
T12 >> 1462290955.84516096 Send coefs to domains (89.44712s) started
T12 << 1462290956.08729506 Send coefs to domains (89.68926s) stopped
T12 << 1462290956.08786893 Blacs Orbital Layouts (23987.57608s) stopped
T12 >> 1462290956.08789897 Calculate projections (779.51747s) started
T12 << 1462290957.86681390 Calculate projections (781.29638s) stopped
T12 << 1462290957.86723900 LCAO eigensolver (28573.78263s) stopped
T12 >> 1462290960.99032593 Density (6823.31128s) started
T12 >> 1462290960.99034190 Pseudo density (5281.09846s) started
T12 >> 1462290960.99297309 Calculate density matrix (4962.56828s) started
T12 << 1462290972.82114601 Calculate density matrix (4974.39645s) stopped
T12 >> 1462290972.82120299 Construct density (310.13291s) started
T12 << 1462290973.58171606 Construct density (310.89342s) stopped
T12 >> 1462290973.59779501 Symmetrize density (0.03529s) started
T12 << 1462290973.59787297 Symmetrize density (0.03537s) stopped
T12 << 1462290973.60030389 Pseudo density (5293.70842s) stopped
T12 >> 1462290973.60037208 Atomic density matrices (1358.13666s) started
T12 << 1462290976.99746990 Atomic density matrices (1361.53376s) stopped
T12 >> 1462290976.99750710 Multipole moments (4.59186s) started
T12 << 1462290977.01118398 Multipole moments (4.60554s) stopped
T12 >> 1462290977.01120806 Normalize (2.82594s) started
T12 << 1462290977.01780701 Normalize (2.83254s) stopped
T12 >> 1462290977.01785898 Mix (176.62631s) started
T12 << 1462290977.40959692 Mix (177.01805s) stopped
T12 << 1462290977.40967202 Density (6839.73063s) stopped
T12 >> 1462290977.40970707 Hamiltonian (19812.25468s) started
T12 >> 1462290977.40972304 vbar (11.28784s) started
T12 << 1462290977.44111395 vbar (11.31923s) stopped
T12 >> 1462290977.44127989 XC 3D grid (11782.49173s) started
T12 >> 1462290977.91694403 van der Waals (11383.14868s) started
T12 >> 1462290978.03173900 semilocal (2400.19510s) started
T12 << 1462290983.80782890 semilocal (2405.97119s) stopped
T12 >> 1462290983.88646889 redistribute (1229.96439s) started
T12 << 1462290984.91339302 redistribute (1230.99131s) stopped
T12 >> 1462290984.91346788 libvdwxc nonlocal (7673.61351s) started
T12 << 1462291002.85147595 libvdwxc nonlocal (7691.55152s) stopped
T12 >> 1462291002.85156107 redistribute (1230.99137s) started
T12 << 1462291004.95882797 redistribute (1233.09864s) stopped
T12 << 1462291004.96014810 van der Waals (11410.19189s) stopped
T12 << 1462291005.42970395 XC 3D grid (11810.48015s) stopped
T12 >> 1462291005.42975402 Poisson (2567.45043s) started
T12 << 1462291021.27565694 Poisson (2583.29633s) stopped
T12 >> 1462291021.27575397 Hartree integrate/restrict (153.41480s) started
T12 << 1462291021.31777406 Hartree integrate/restrict (153.45682s) stopped
T12 >> 1462291021.31786203 Hartree integrate/restrict (153.45688s) started
T12 << 1462291021.66655302 Hartree integrate/restrict (153.80557s) stopped
T12 >> 1462291021.66669703 Atomic (994.35106s) started
T12 >> 1462291021.66961908 XC Correction (0.01373s) started
T12 << 1462291021.66964412 XC Correction (0.01376s) stopped
T12 << 1462291024.04170299 Atomic (996.72606s) stopped
T12 >> 1462291024.04189706 Communicate (4303.08387s) started
T12 << 1462291041.03689289 Communicate (4320.07886s) stopped
T12 << 1462291041.03693509 Hamiltonian (19875.88191s) stopped
T12 >> 1462291041.03696299 LCAO eigensolver (28573.78265s) started
T12 >> 1462291041.03697610 Potential matrix (430.08639s) started
T12 << 1462291041.99155807 Potential matrix (431.04097s) stopped
T12 >> 1462291041.99163795 DistributedAtomicCorrection (173.61681s) started
T12 << 1462291042.39999509 DistributedAtomicCorrection (174.02517s) stopped
T12 >> 1462291042.40008092 Distribute overlap matrix (3199.02194s) started
T12 >> 1462291042.40012097 blocked summation (1789.21897s) started
T12 << 1462291046.71687388 blocked summation (1793.53572s) stopped
T12 >> 1462291046.72699809 Scalapack redistribute (1405.42451s) started
T12 << 1462291050.23739290 Scalapack redistribute (1408.93490s) stopped
T12 << 1462291050.23750901 Distribute overlap matrix (3206.85937s) stopped
T12 >> 1462291050.24204707 Blacs Orbital Layouts (23987.57610s) started
T12 >> 1462291050.25076294 General diagonalize (23890.26956s) started
T12 << 1462291105.33456898 General diagonalize (23945.35337s) stopped
T12 >> 1462291105.33464193 Redistribute coefs (3.58430s) started
T12 << 1462291105.34368801 Redistribute coefs (3.59335s) stopped
T12 >> 1462291105.34373808 Send coefs to domains (89.68930s) started
T12 << 1462291105.44154406 Send coefs to domains (89.78710s) stopped
T12 << 1462291105.44209409 Blacs Orbital Layouts (24042.77615s) stopped
T12 >> 1462291105.44212389 Calculate projections (781.29644s) started
T12 << 1462291107.22105503 Calculate projections (783.07537s) stopped
T12 << 1462291107.22145009 LCAO eigensolver (28639.96713s) stopped
T12 >> 1462291110.34468603 Density (6839.73064s) started
T12 >> 1462291110.34470201 Pseudo density (5293.70848s) started
T12 >> 1462291110.34735608 Calculate density matrix (4974.39649s) started
T12 << 1462291122.19489598 Calculate density matrix (4986.24403s) stopped
T12 >> 1462291122.19495296 Construct density (310.89348s) started
T12 << 1462291122.95705891 Construct density (311.65559s) stopped
T12 >> 1462291122.97409201 Symmetrize density (0.03538s) started
T12 << 1462291122.97416997 Symmetrize density (0.03546s) stopped
T12 << 1462291122.97660589 Pseudo density (5306.34038s) stopped
T12 >> 1462291122.97667503 Atomic density matrices (1361.53379s) started
T12 << 1462291126.35923791 Atomic density matrices (1364.91635s) stopped
T12 >> 1462291126.35927510 Multipole moments (4.60555s) started
T12 << 1462291126.37292790 Multipole moments (4.61920s) stopped
T12 >> 1462291126.37295103 Normalize (2.83258s) started
T12 << 1462291126.37958503 Normalize (2.83921s) stopped
T12 >> 1462291126.37963200 Mix (177.01812s) started
T12 << 1462291126.80566692 Mix (177.44416s) stopped
T12 << 1462291126.80571604 Density (6856.19167s) stopped
T12 >> 1462291126.80574298 Hamiltonian (19875.88192s) started
T12 >> 1462291126.80575800 vbar (11.31933s) started
T12 << 1462291126.83363509 vbar (11.34720s) stopped
T12 >> 1462291126.83376598 XC 3D grid (11810.48019s) started
T12 >> 1462291127.30416298 van der Waals (11410.19192s) started
T12 >> 1462291127.42058802 semilocal (2405.97130s) started
T12 << 1462291133.24698591 semilocal (2411.79770s) stopped
T12 >> 1462291133.32084489 redistribute (1233.09871s) started
T12 << 1462291134.29047394 redistribute (1234.06834s) stopped
T12 >> 1462291134.29052401 libvdwxc nonlocal (7691.55158s) started
T12 << 1462291152.29391408 libvdwxc nonlocal (7709.55497s) stopped
T12 >> 1462291152.29398799 redistribute (1234.06837s) started
T12 << 1462291154.92497110 redistribute (1236.69936s) stopped
T12 << 1462291154.92627096 van der Waals (11437.81402s) stopped
T12 << 1462291155.38647699 XC 3D grid (11839.03290s) stopped
T12 >> 1462291155.38653302 Poisson (2583.29640s) started
T12 << 1462291163.97687006 Poisson (2591.88674s) stopped
T12 >> 1462291163.97697401 Hartree integrate/restrict (153.80564s) started
T12 << 1462291164.01710200 Hartree integrate/restrict (153.84577s) stopped
T12 >> 1462291164.01719689 Hartree integrate/restrict (153.84583s) started
T12 << 1462291164.33886409 Hartree integrate/restrict (154.16750s) stopped
T12 >> 1462291164.33897495 Atomic (996.72609s) started
T12 >> 1462291164.34079790 XC Correction (0.01377s) started
T12 << 1462291164.34081292 XC Correction (0.01378s) stopped
T12 << 1462291166.72974300 Atomic (999.11686s) stopped
T12 >> 1462291166.72992706 Communicate (4320.07889s) started
T12 << 1462291183.34325409 Communicate (4336.69222s) stopped
T12 << 1462291183.34328890 Hamiltonian (19932.41947s) stopped
T12 >> 1462291183.34331489 LCAO eigensolver (28639.96715s) started
T12 >> 1462291183.34332895 Potential matrix (431.04102s) started
T12 << 1462291184.31866407 Potential matrix (432.01635s) stopped
T12 >> 1462291184.31875801 DistributedAtomicCorrection (174.02524s) started
T12 << 1462291184.72687101 DistributedAtomicCorrection (174.43335s) stopped
T12 >> 1462291184.72691894 Distribute overlap matrix (3206.85938s) started
T12 >> 1462291184.72695899 blocked summation (1793.53576s) started
T12 << 1462291188.93667102 blocked summation (1797.74547s) stopped
T12 >> 1462291188.94559193 Scalapack redistribute (1408.93497s) started
T12 << 1462291192.53211093 Scalapack redistribute (1412.52149s) stopped
T12 << 1462291192.53221607 Distribute overlap matrix (3214.66468s) stopped
T12 >> 1462291192.53684807 Blacs Orbital Layouts (24042.77617s) started
T12 >> 1462291192.54572797 General diagonalize (23945.35343s) started
T12 << 1462291247.23162389 General diagonalize (24000.03933s) stopped
T12 >> 1462291247.23169899 Redistribute coefs (3.59338s) started
T12 << 1462291247.24027491 Redistribute coefs (3.60196s) stopped
T12 >> 1462291247.24032593 Send coefs to domains (89.78714s) started
T12 << 1462291247.36198092 Send coefs to domains (89.90879s) stopped
T12 << 1462291247.36257195 Blacs Orbital Layouts (24097.60189s) stopped
T12 >> 1462291247.36260200 Calculate projections (783.07543s) started
T12 << 1462291249.14223409 Calculate projections (784.85506s) stopped
T12 << 1462291249.14243698 LCAO eigensolver (28705.76627s) stopped
T12 >> 1462291252.27212405 Density (6856.19169s) started
T12 >> 1462291252.27214003 Pseudo density (5306.34043s) started
T12 >> 1462291252.27472711 Calculate density matrix (4986.24407s) started
T12 << 1462291264.16336703 Calculate density matrix (4998.13271s) stopped
T12 >> 1462291264.16342402 Construct density (311.65564s) started
T12 << 1462291264.92303491 Construct density (312.41526s) stopped
T12 >> 1462291264.93947291 Symmetrize density (0.03548s) started
T12 << 1462291264.93954897 Symmetrize density (0.03556s) stopped
T12 << 1462291264.94200110 Pseudo density (5319.01029s) stopped
T12 >> 1462291264.94207001 Atomic density matrices (1364.91638s) started
T12 << 1462291268.34127498 Atomic density matrices (1368.31559s) stopped
T12 >> 1462291268.34131098 Multipole moments (4.61922s) started
T12 << 1462291268.35489988 Multipole moments (4.63281s) stopped
T12 >> 1462291268.35493207 Normalize (2.83925s) started
T12 << 1462291268.36138797 Normalize (2.84570s) stopped
T12 >> 1462291268.36143398 Mix (177.44421s) started
T12 << 1462291268.86709404 Mix (177.94987s) stopped
T12 << 1462291268.86715889 Density (6872.78672s) stopped
T12 >> 1462291268.86718798 Hamiltonian (19932.41948s) started
T12 >> 1462291268.86720300 vbar (11.34728s) started
T12 << 1462291268.88843989 vbar (11.36852s) stopped
T12 >> 1462291268.88854790 XC 3D grid (11839.03295s) started
T12 >> 1462291269.32223701 van der Waals (11437.81406s) started
T12 >> 1462291269.43565512 semilocal (2411.79775s) started
T12 << 1462291275.24611497 semilocal (2417.60821s) stopped
T12 >> 1462291275.31872296 redistribute (1236.69942s) started
T12 << 1462291276.29363894 redistribute (1237.67434s) stopped
T12 >> 1462291276.29369092 libvdwxc nonlocal (7709.55503s) started
T12 << 1462291294.21150589 libvdwxc nonlocal (7727.47284s) stopped
T12 >> 1462291294.21158910 redistribute (1237.67438s) started
T12 << 1462291296.14432502 redistribute (1239.60711s) stopped
T12 << 1462291296.14530206 van der Waals (11464.63712s) stopped
T12 << 1462291296.61293697 XC 3D grid (11866.75734s) stopped
T12 >> 1462291296.61298895 Poisson (2591.88681s) started
T12 << 1462291302.34184599 Poisson (2597.61566s) stopped
T12 >> 1462291302.34192610 Hartree integrate/restrict (154.16755s) started
T12 << 1462291302.38061500 Hartree integrate/restrict (154.20624s) stopped
T12 >> 1462291302.38074589 Hartree integrate/restrict (154.20633s) started
T12 << 1462291302.69534707 Hartree integrate/restrict (154.52093s) stopped
T12 >> 1462291302.69545507 Atomic (999.11688s) started
T12 >> 1462291302.69736791 XC Correction (0.01380s) started
T12 << 1462291302.69739389 XC Correction (0.01382s) stopped
T12 << 1462291305.08892298 Atomic (1001.51035s) stopped
T12 >> 1462291305.08910298 Communicate (4336.69224s) started
T12 << 1462291320.72243810 Communicate (4352.32558s) stopped
T12 << 1462291320.72247410 Hamiltonian (19984.27477s) stopped
T12 >> 1462291320.72249889 LCAO eigensolver (28705.76629s) started
T12 >> 1462291320.72251296 Potential matrix (432.01641s) started
T12 << 1462291321.69489789 Potential matrix (432.98879s) stopped
T12 >> 1462291321.69499612 DistributedAtomicCorrection (174.43339s) started
T12 << 1462291322.12327003 DistributedAtomicCorrection (174.86167s) stopped
T12 >> 1462291322.12331796 Distribute overlap matrix (3214.66469s) started
T12 >> 1462291322.12335610 blocked summation (1797.74551s) started
T12 << 1462291326.28095794 blocked summation (1801.90311s) stopped
T12 >> 1462291326.29082108 Scalapack redistribute (1412.52155s) started
T12 << 1462291329.87831092 Scalapack redistribute (1416.10904s) stopped
T12 << 1462291329.87838006 Distribute overlap matrix (3222.41976s) stopped
T12 >> 1462291329.88333011 Blacs Orbital Layouts (24097.60191s) started
T12 >> 1462291329.89234209 General diagonalize (24000.03939s) started
T12 << 1462291384.64885092 General diagonalize (24054.79590s) stopped
T12 >> 1462291384.64889908 Redistribute coefs (3.60200s) started
T12 << 1462291384.65720105 Redistribute coefs (3.61030s) stopped
T12 >> 1462291384.65726399 Send coefs to domains (89.90883s) started
T12 << 1462291384.74778891 Send coefs to domains (89.99936s) stopped
T12 << 1462291384.74839902 Blacs Orbital Layouts (24152.46698s) stopped
T12 >> 1462291384.74842811 Calculate projections (784.85512s) started
T12 << 1462291386.52683806 Calculate projections (786.63353s) stopped
T12 << 1462291386.52734208 LCAO eigensolver (28771.57114s) stopped
T12 >> 1462291389.65427995 Density (6872.78674s) started
T12 >> 1462291389.65429401 Pseudo density (5319.01035s) started
T12 >> 1462291389.65666604 Calculate density matrix (4998.13275s) started
T12 << 1462291401.53921890 Calculate density matrix (5010.01530s) stopped
T12 >> 1462291401.53926706 Construct density (312.41531s) started
T12 << 1462291402.30082989 Construct density (313.17688s) stopped
T12 >> 1462291402.31467295 Symmetrize density (0.03557s) started
T12 << 1462291402.31473899 Symmetrize density (0.03564s) stopped
T12 << 1462291402.31681204 Pseudo density (5331.67287s) stopped
T12 >> 1462291402.31686902 Atomic density matrices (1368.31562s) started
T12 << 1462291405.67987704 Atomic density matrices (1371.67862s) stopped
T12 >> 1462291405.67990899 Multipole moments (4.63283s) started
T12 << 1462291405.69359708 Multipole moments (4.64651s) stopped
T12 >> 1462291405.69362712 Normalize (2.84574s) started
T12 << 1462291405.69974899 Normalize (2.85186s) stopped
T12 >> 1462291405.69980907 Mix (177.94993s) started
T12 << 1462291406.08695507 Mix (178.33708s) stopped
T12 << 1462291406.08702302 Density (6889.21948s) stopped
T12 >> 1462291406.08705211 Hamiltonian (19984.27478s) started
T12 >> 1462291406.08706903 vbar (11.36858s) started
T12 << 1462291406.11011195 vbar (11.39162s) stopped
T12 >> 1462291406.11019206 XC 3D grid (11866.75738s) started
T12 >> 1462291406.73270106 van der Waals (11464.63715s) started
T12 >> 1462291406.84344602 semilocal (2417.60826s) started
T12 << 1462291412.61949110 semilocal (2423.38430s) stopped
T12 >> 1462291412.69988298 redistribute (1239.60717s) started
T12 << 1462291413.73573804 redistribute (1240.64303s) stopped
T12 >> 1462291413.73579001 libvdwxc nonlocal (7727.47291s) started
T12 << 1462291432.00991106 libvdwxc nonlocal (7745.74703s) stopped
T12 >> 1462291432.00997591 redistribute (1240.64306s) started
T12 << 1462291433.77978992 redistribute (1242.41288s) stopped
T12 << 1462291433.78077698 van der Waals (11491.68522s) stopped
T12 << 1462291434.24487305 XC 3D grid (11894.89206s) stopped
T12 >> 1462291434.24492693 Poisson (2597.61572s) started
T12 << 1462291440.01098609 Poisson (2603.38178s) stopped
T12 >> 1462291440.01113605 Hartree integrate/restrict (154.52099s) started
T12 << 1462291440.05392909 Hartree integrate/restrict (154.56378s) stopped
T12 >> 1462291440.05402493 Hartree integrate/restrict (154.56385s) started
T12 << 1462291440.36170912 Hartree integrate/restrict (154.87153s) stopped
T12 >> 1462291440.36181092 Atomic (1001.51037s) started
T12 >> 1462291440.36355591 XC Correction (0.01383s) started
T12 << 1462291440.36357093 XC Correction (0.01385s) stopped
T12 << 1462291442.75276399 Atomic (1003.90133s) stopped
T12 >> 1462291442.75291991 Communicate (4352.32560s) started
T12 << 1462291457.62194490 Communicate (4367.19463s) stopped
T12 << 1462291457.62198210 Hamiltonian (20035.80971s) stopped
T12 >> 1462291457.62200809 LCAO eigensolver (28771.57116s) started
T12 >> 1462291457.62202096 Potential matrix (432.98885s) started
T12 << 1462291458.59221196 Potential matrix (433.95904s) stopped
T12 >> 1462291458.59228110 DistributedAtomicCorrection (174.86171s) started
T12 << 1462291459.02167892 DistributedAtomicCorrection (175.29110s) stopped
T12 >> 1462291459.02174592 Distribute overlap matrix (3222.41977s) started
T12 >> 1462291459.02176809 blocked summation (1801.90314s) started
T12 << 1462291463.19072700 blocked summation (1806.07210s) stopped
T12 >> 1462291463.20133090 Scalapack redistribute (1416.10908s) started
T12 << 1462291466.76765800 Scalapack redistribute (1419.67541s) stopped
T12 << 1462291466.76776004 Distribute overlap matrix (3230.16578s) stopped
T12 >> 1462291466.77199197 Blacs Orbital Layouts (24152.46700s) started
T12 >> 1462291466.78076410 General diagonalize (24054.79593s) started
T12 << 1462291519.39663601 General diagonalize (24107.41181s) stopped
T12 >> 1462291519.39668489 Redistribute coefs (3.61035s) started
T12 << 1462291519.40446711 Redistribute coefs (3.61813s) stopped
T12 >> 1462291519.40453792 Send coefs to domains (89.99939s) started
T12 << 1462291519.96180606 Send coefs to domains (90.55666s) stopped
T12 << 1462291519.96219802 Blacs Orbital Layouts (24205.65721s) stopped
T12 >> 1462291519.96223211 Calculate projections (786.63358s) started
T12 << 1462291521.73069000 Calculate projections (788.40204s) stopped
T12 << 1462291521.73105097 LCAO eigensolver (28835.68020s) stopped
T12 >> 1462291524.86085796 Density (6889.21950s) started
T12 >> 1462291524.86087298 Pseudo density (5331.67291s) started
T12 >> 1462291524.86324811 Calculate density matrix (5010.01533s) started
T12 << 1462291536.74565101 Calculate density matrix (5021.89774s) stopped
T12 >> 1462291536.74569798 Construct density (313.17693s) started
T12 << 1462291537.50763392 Construct density (313.93886s) stopped
T12 >> 1462291537.52179193 Symmetrize density (0.03566s) started
T12 << 1462291537.52185607 Symmetrize density (0.03572s) stopped
T12 << 1462291537.52394104 Pseudo density (5344.33598s) stopped
T12 >> 1462291537.52399802 Atomic density matrices (1371.67865s) started
T12 << 1462291540.91521692 Atomic density matrices (1375.06987s) stopped
T12 >> 1462291540.91525006 Multipole moments (4.64653s) started
T12 << 1462291540.92889094 Multipole moments (4.66017s) stopped
T12 >> 1462291540.92892194 Normalize (2.85190s) started
T12 << 1462291540.93514609 Normalize (2.85812s) stopped
T12 >> 1462291540.93519211 Mix (178.33714s) started
T12 << 1462291541.36052394 Mix (178.76247s) stopped
T12 << 1462291541.36058497 Density (6905.71922s) stopped
T12 >> 1462291541.36061192 Hamiltonian (20035.80972s) started
T12 >> 1462291541.36062694 vbar (11.39166s) started
T12 << 1462291541.38499498 vbar (11.41603s) stopped
T12 >> 1462291541.38509011 XC 3D grid (11894.89210s) started
T12 >> 1462291542.10531497 van der Waals (11491.68525s) started
T12 >> 1462291542.21301198 semilocal (2423.38444s) started
T12 << 1462291547.98105192 semilocal (2429.15248s) stopped
T12 >> 1462291548.05825400 redistribute (1242.41293s) started
T12 << 1462291549.07549000 redistribute (1243.43017s) stopped
T12 >> 1462291549.07553291 libvdwxc nonlocal (7745.74708s) started
T12 << 1462291567.28925490 libvdwxc nonlocal (7763.96080s) stopped
T12 >> 1462291567.28931689 redistribute (1243.43020s) started
T12 << 1462291569.90586495 redistribute (1246.04675s) stopped
T12 << 1462291569.90702391 van der Waals (11519.48696s) stopped
T12 << 1462291570.37494397 XC 3D grid (11923.88195s) stopped
T12 >> 1462291570.37498093 Poisson (2603.38190s) started
T12 << 1462291574.92256308 Poisson (2607.92948s) stopped
T12 >> 1462291574.92263603 Hartree integrate/restrict (154.87158s) started
T12 << 1462291574.96580195 Hartree integrate/restrict (154.91475s) stopped
T12 >> 1462291574.96588802 Hartree integrate/restrict (154.91481s) started
T12 << 1462291575.27481604 Hartree integrate/restrict (155.22374s) stopped
T12 >> 1462291575.27490711 Atomic (1003.90135s) started
T12 >> 1462291575.27659988 XC Correction (0.01386s) started
T12 << 1462291575.27661490 XC Correction (0.01387s) stopped
T12 << 1462291577.66630793 Atomic (1006.29275s) stopped
T12 >> 1462291577.66644812 Communicate (4367.19465s) started
T12 << 1462291592.46282101 Communicate (4381.99102s) stopped
T12 << 1462291592.46285701 Hamiltonian (20086.91197s) stopped
T12 >> 1462291592.46288204 LCAO eigensolver (28835.68022s) started
T12 >> 1462291592.46289611 Potential matrix (433.95908s) started
T12 << 1462291593.42481589 Potential matrix (434.92100s) stopped
T12 >> 1462291593.42488599 DistributedAtomicCorrection (175.29114s) started
T12 << 1462291593.84734392 DistributedAtomicCorrection (175.71360s) stopped
T12 >> 1462291593.84740901 Distribute overlap matrix (3230.16580s) started
T12 >> 1462291593.84742999 blocked summation (1806.07215s) started
T12 << 1462291598.11926603 blocked summation (1810.34399s) stopped
T12 >> 1462291598.12870598 Scalapack redistribute (1419.67547s) started
T12 << 1462291601.56064010 Scalapack redistribute (1423.10741s) stopped
T12 << 1462291601.56072211 Distribute overlap matrix (3237.87911s) stopped
T12 >> 1462291601.56481791 Blacs Orbital Layouts (24205.65723s) started
T12 >> 1462291601.57363391 General diagonalize (24107.41184s) started
T12 << 1462291654.62220597 General diagonalize (24160.46042s) stopped
T12 >> 1462291654.62225199 Redistribute coefs (3.61819s) started
T12 << 1462291654.63009906 Redistribute coefs (3.62604s) stopped
T12 >> 1462291654.63017106 Send coefs to domains (90.55669s) started
T12 << 1462291654.74186206 Send coefs to domains (90.66839s) stopped
T12 << 1462291654.74226999 Blacs Orbital Layouts (24258.83468s) stopped
T12 >> 1462291654.74229908 Calculate projections (788.40209s) started
T12 << 1462291656.51011109 Calculate projections (790.16990s) stopped
T12 << 1462291656.51045489 LCAO eigensolver (28899.72779s) stopped
T12 >> 1462291659.63942289 Density (6905.71924s) started
T12 >> 1462291659.63943791 Pseudo density (5344.33603s) started
T12 >> 1462291659.64173293 Calculate density matrix (5021.89777s) started
T12 << 1462291671.62934899 Calculate density matrix (5033.88539s) stopped
T12 >> 1462291671.62939692 Construct density (313.93891s) started
T12 << 1462291672.39032793 Construct density (314.69985s) stopped
T12 >> 1462291672.40424895 Symmetrize density (0.03574s) started
T12 << 1462291672.40431309 Symmetrize density (0.03580s) stopped
T12 << 1462291672.40637302 Pseudo density (5357.10296s) stopped
T12 >> 1462291672.40643191 Atomic density matrices (1375.06989s) started
T12 << 1462291675.77989507 Atomic density matrices (1378.44335s) stopped
T12 >> 1462291675.77992892 Multipole moments (4.66019s) started
T12 << 1462291675.79362297 Multipole moments (4.67388s) stopped
T12 >> 1462291675.79365301 Normalize (2.85815s) started
T12 << 1462291675.79987693 Normalize (2.86438s) stopped
T12 >> 1462291675.79993010 Mix (178.76253s) started
T12 << 1462291676.20376110 Mix (179.16637s) stopped
T12 << 1462291676.20383596 Density (6922.28365s) stopped
T12 >> 1462291676.20386600 Hamiltonian (20086.91198s) started
T12 >> 1462291676.20388198 vbar (11.41609s) started
T12 << 1462291676.22555995 vbar (11.43777s) stopped
T12 >> 1462291676.22565198 XC 3D grid (11923.88198s) started
T12 >> 1462291676.78585911 van der Waals (11519.48699s) started
T12 >> 1462291676.89147401 semilocal (2429.15257s) started
T12 << 1462291682.62345505 semilocal (2434.88455s) stopped
T12 >> 1462291682.70498896 redistribute (1246.04681s) started
T12 << 1462291683.76152992 redistribute (1247.10335s) stopped
T12 >> 1462291683.76159501 libvdwxc nonlocal (7763.96085s) started
T12 << 1462291701.89675212 libvdwxc nonlocal (7782.09600s) stopped
T12 >> 1462291701.89682603 redistribute (1247.10340s) started
T12 << 1462291704.45739007 redistribute (1249.66396s) stopped
T12 << 1462291704.45852590 van der Waals (11547.15965s) stopped
T12 << 1462291704.92359591 XC 3D grid (11952.57993s) stopped
T12 >> 1462291704.92363691 Poisson (2607.92953s) started
T12 << 1462291709.26027489 Poisson (2612.26617s) stopped
T12 >> 1462291709.26034307 Hartree integrate/restrict (155.22379s) started
T12 << 1462291709.30183005 Hartree integrate/restrict (155.26527s) stopped
T12 >> 1462291709.30187988 Hartree integrate/restrict (155.26530s) started
T12 << 1462291709.65012789 Hartree integrate/restrict (155.61355s) stopped
T12 >> 1462291709.65022492 Atomic (1006.29278s) started
T12 >> 1462291709.65195394 XC Correction (0.01388s) started
T12 << 1462291709.65196800 XC Correction (0.01390s) stopped
T12 << 1462291712.04472995 Atomic (1008.68728s) stopped
T12 >> 1462291712.04486609 Communicate (4381.99105s) started
T12 << 1462291726.88127589 Communicate (4396.82746s) stopped
T12 << 1462291726.88131404 Hamiltonian (20137.58943s) stopped
T12 >> 1462291726.88134003 LCAO eigensolver (28899.72781s) started
T12 >> 1462291726.88135290 Potential matrix (434.92104s) started
T12 << 1462291727.84424210 Potential matrix (435.88393s) stopped
T12 >> 1462291727.84431410 DistributedAtomicCorrection (175.71364s) started
T12 << 1462291728.26395011 DistributedAtomicCorrection (176.13328s) stopped
T12 >> 1462291728.26401496 Distribute overlap matrix (3237.87912s) started
T12 >> 1462291728.26403689 blocked summation (1810.34404s) started
T12 << 1462291732.57142711 blocked summation (1814.65143s) stopped
T12 >> 1462291732.58098793 Scalapack redistribute (1423.10746s) started
T12 << 1462291735.99321604 Scalapack redistribute (1426.51969s) stopped
T12 << 1462291735.99330306 Distribute overlap matrix (3245.60841s) stopped
T12 >> 1462291735.99727297 Blacs Orbital Layouts (24258.83470s) started
T12 >> 1462291736.00600600 General diagonalize (24160.46045s) started
T12 << 1462291791.35741997 General diagonalize (24215.81187s) stopped
T12 >> 1462291791.35746598 Redistribute coefs (3.62610s) started
T12 << 1462291791.36535811 Redistribute coefs (3.63399s) stopped
T12 >> 1462291791.36543393 Send coefs to domains (90.66842s) started
T12 << 1462291791.46940088 Send coefs to domains (90.77239s) stopped
T12 << 1462291791.46983504 Blacs Orbital Layouts (24314.30726s) stopped
T12 >> 1462291791.46986389 Calculate projections (790.16995s) started
T12 << 1462291793.23969889 Calculate projections (791.93978s) stopped
T12 << 1462291793.24006701 LCAO eigensolver (28966.08654s) stopped
T12 >> 1462291796.35155201 Density (6922.28366s) started
T12 >> 1462291796.35156703 Pseudo density (5357.10301s) started
T12 >> 1462291796.35393000 Calculate density matrix (5033.88542s) started
T12 << 1462291809.30238199 Calculate density matrix (5046.83387s) stopped
T12 >> 1462291809.30243206 Construct density (314.69990s) started
T12 << 1462291810.06402111 Construct density (315.46149s) stopped
T12 >> 1462291810.07803607 Symmetrize density (0.03582s) started
T12 << 1462291810.07809997 Symmetrize density (0.03588s) stopped
T12 << 1462291810.08017302 Pseudo density (5370.83162s) stopped
T12 >> 1462291810.08023000 Atomic density matrices (1378.44338s) started
T12 << 1462291813.48872089 Atomic density matrices (1381.85187s) stopped
T12 >> 1462291813.48875308 Multipole moments (4.67390s) started
T12 << 1462291813.50251508 Multipole moments (4.68766s) stopped
T12 >> 1462291813.50254512 Normalize (2.86441s) started
T12 << 1462291813.50912809 Normalize (2.87100s) stopped
T12 >> 1462291813.50921893 Mix (179.16644s) started
T12 << 1462291813.94656897 Mix (179.60379s) stopped
T12 << 1462291813.94667506 Density (6939.87879s) stopped
T12 >> 1462291813.94672394 Hamiltonian (20137.58944s) started
T12 >> 1462291813.94674301 vbar (11.43782s) started
T12 << 1462291813.97876501 vbar (11.46985s) stopped
T12 >> 1462291813.97886109 XC 3D grid (11952.57996s) started
T12 >> 1462291814.50683594 van der Waals (11547.15968s) started
T12 >> 1462291814.61708808 semilocal (2434.88464s) started
T12 << 1462291820.32944703 semilocal (2440.59700s) stopped
T12 >> 1462291820.40505695 redistribute (1249.66402s) started
T12 << 1462291821.48134804 redistribute (1250.74031s) stopped
T12 >> 1462291821.48141193 libvdwxc nonlocal (7782.09606s) started
T12 << 1462291839.93881392 libvdwxc nonlocal (7800.55346s) stopped
T12 >> 1462291839.93887806 redistribute (1250.74036s) started
T12 << 1462291842.52325392 redistribute (1253.32474s) stopped
T12 << 1462291842.52442098 van der Waals (11575.17726s) stopped
T12 << 1462291842.99115396 XC 3D grid (11981.59225s) stopped
T12 >> 1462291842.99121094 Poisson (2612.26622s) started
T12 << 1462291847.45981002 Poisson (2616.73482s) stopped
T12 >> 1462291847.45991397 Hartree integrate/restrict (155.61360s) started
T12 << 1462291847.51190305 Hartree integrate/restrict (155.66559s) stopped
T12 >> 1462291847.51201296 Hartree integrate/restrict (155.66567s) started
T12 << 1462291847.84023809 Hartree integrate/restrict (155.99389s) stopped
T12 >> 1462291847.84032106 Atomic (1008.68730s) started
T12 >> 1462291847.84211802 XC Correction (0.01391s) started
T12 << 1462291847.84213591 XC Correction (0.01393s) stopped
T12 << 1462291850.20348597 Atomic (1011.05047s) stopped
T12 >> 1462291850.20361209 Communicate (4396.82748s) started
T12 << 1462291865.00171804 Communicate (4411.62559s) stopped
T12 << 1462291865.00175810 Hamiltonian (20188.64447s) stopped
T12 >> 1462291865.00178289 LCAO eigensolver (28966.08655s) started
T12 >> 1462291865.00179911 Potential matrix (435.88397s) started
T12 << 1462291865.96624088 Potential matrix (436.84841s) stopped
T12 >> 1462291865.96633005 DistributedAtomicCorrection (176.13331s) started
T12 << 1462291866.39819407 DistributedAtomicCorrection (176.56518s) stopped
T12 >> 1462291866.39826107 Distribute overlap matrix (3245.60842s) started
T12 >> 1462291866.39828300 blocked summation (1814.65148s) started
T12 << 1462291870.68481112 blocked summation (1818.93801s) stopped
T12 >> 1462291870.69409895 Scalapack redistribute (1426.51975s) started
T12 << 1462291874.06045198 Scalapack redistribute (1429.88611s) stopped
T12 << 1462291874.06054807 Distribute overlap matrix (3253.27071s) stopped
T12 >> 1462291874.06499696 Blacs Orbital Layouts (24314.30728s) started
T12 >> 1462291874.07355690 General diagonalize (24215.81191s) started
T12 << 1462291929.62716889 General diagonalize (24271.36552s) stopped
T12 >> 1462291929.62723708 Redistribute coefs (3.63405s) started
T12 << 1462291929.63531995 Redistribute coefs (3.64214s) stopped
T12 >> 1462291929.63538289 Send coefs to domains (90.77242s) started
T12 << 1462291929.73530793 Send coefs to domains (90.87234s) stopped
T12 << 1462291929.73570609 Blacs Orbital Layouts (24369.97799s) stopped
T12 >> 1462291929.73573399 Calculate projections (791.93984s) started
T12 << 1462291931.50504398 Calculate projections (793.70915s) stopped
T12 << 1462291931.50539303 LCAO eigensolver (29032.59016s) stopped
T12 >> 1462291934.64009595 Density (6939.87881s) started
T12 >> 1462291934.64011097 Pseudo density (5370.83166s) started
T12 >> 1462291934.64214301 Calculate density matrix (5046.83391s) started
T12 << 1462291946.49106312 Calculate density matrix (5058.68283s) stopped
T12 >> 1462291946.49111104 Construct density (315.46154s) started
T12 << 1462291947.25257707 Construct density (316.22301s) stopped
T12 >> 1462291947.26682997 Symmetrize density (0.03590s) started
T12 << 1462291947.26689506 Symmetrize density (0.03596s) stopped
T12 << 1462291947.26898694 Pseudo density (5383.46054s) stopped
T12 >> 1462291947.26904511 Atomic density matrices (1381.85189s) started
T12 << 1462291950.67104292 Atomic density matrices (1385.25389s) stopped
T12 >> 1462291950.67107511 Multipole moments (4.68768s) started
T12 << 1462291950.68479705 Multipole moments (4.70140s) stopped
T12 >> 1462291950.68482804 Normalize (2.87107s) started
T12 << 1462291950.69101501 Normalize (2.87726s) stopped
T12 >> 1462291950.69107199 Mix (179.60389s) started
T12 << 1462291951.10417795 Mix (180.01700s) stopped
T12 << 1462291951.10426998 Density (6956.34298s) stopped
T12 >> 1462291951.10430694 Hamiltonian (20188.64449s) started
T12 >> 1462291951.10432506 vbar (11.46990s) started
T12 << 1462291951.12590194 vbar (11.49148s) stopped
T12 >> 1462291951.12598801 XC 3D grid (11981.59230s) started
T12 >> 1462291951.62747407 van der Waals (11575.17728s) started
T12 >> 1462291951.73658609 semilocal (2440.59711s) started
T12 << 1462291957.44102407 semilocal (2446.30155s) stopped
T12 >> 1462291957.51986289 redistribute (1253.32479s) started
T12 << 1462291958.58451605 redistribute (1254.38945s) stopped
T12 >> 1462291958.58455896 libvdwxc nonlocal (7800.55351s) started
T12 << 1462291977.03140998 libvdwxc nonlocal (7819.00036s) stopped
T12 >> 1462291977.03146410 redistribute (1254.38948s) started
T12 << 1462291979.43341589 redistribute (1256.79143s) stopped
T12 << 1462291979.43449211 van der Waals (11602.98430s) stopped
T12 << 1462291979.89149499 XC 3D grid (12010.35781s) stopped
T12 >> 1462291979.89155006 Poisson (2616.73490s) started
T12 << 1462291984.22322607 Poisson (2621.06658s) stopped
T12 >> 1462291984.22333789 Hartree integrate/restrict (155.99393s) started
T12 << 1462291984.26724195 Hartree integrate/restrict (156.03783s) stopped
T12 >> 1462291984.26728392 Hartree integrate/restrict (156.03786s) started
T12 << 1462291984.61276889 Hartree integrate/restrict (156.38334s) stopped
T12 >> 1462291984.61286092 Atomic (1011.05049s) started
T12 >> 1462291984.61453509 XC Correction (0.01394s) started
T12 << 1462291984.61455011 XC Correction (0.01395s) stopped
T12 << 1462291986.99045992 Atomic (1013.42809s) stopped
T12 >> 1462291986.99057508 Communicate (4411.62562s) started
T12 << 1462292001.88544989 Communicate (4426.52049s) stopped
T12 << 1462292001.88548708 Hamiltonian (20239.42567s) stopped
T12 >> 1462292001.88551211 LCAO eigensolver (29032.59018s) started
T12 >> 1462292001.88552499 Potential matrix (436.84846s) started
T12 << 1462292002.85673094 Potential matrix (437.81967s) stopped
T12 >> 1462292002.85681701 DistributedAtomicCorrection (176.56522s) started
T12 << 1462292003.28503299 DistributedAtomicCorrection (176.99343s) stopped
T12 >> 1462292003.28509998 Distribute overlap matrix (3253.27072s) started
T12 >> 1462292003.28512192 blocked summation (1818.93804s) started
T12 << 1462292007.52644205 blocked summation (1823.17936s) stopped
T12 >> 1462292007.53603911 Scalapack redistribute (1429.88617s) started
T12 << 1462292011.02578998 Scalapack redistribute (1433.37592s) stopped
T12 << 1462292011.02588701 Distribute overlap matrix (3261.01151s) stopped
T12 >> 1462292011.03000093 Blacs Orbital Layouts (24369.97801s) started
T12 >> 1462292011.03835106 General diagonalize (24271.36557s) started
T12 << 1462292065.94328403 General diagonalize (24326.27051s) stopped
T12 >> 1462292065.94336104 Redistribute coefs (3.64219s) started
T12 << 1462292065.95246291 Redistribute coefs (3.65129s) stopped
T12 >> 1462292065.95251107 Send coefs to domains (90.87238s) started
T12 << 1462292066.08804703 Send coefs to domains (91.00791s) stopped
T12 << 1462292066.08856106 Blacs Orbital Layouts (24425.03657s) stopped
T12 >> 1462292066.08859110 Calculate projections (793.70920s) started
T12 << 1462292067.86940694 Calculate projections (795.49001s) stopped
T12 << 1462292067.86985898 LCAO eigensolver (29098.57453s) stopped
T12 >> 1462292070.99555492 Density (6956.34300s) started
T12 >> 1462292070.99556994 Pseudo density (5383.46058s) started
T12 >> 1462292070.99943709 Calculate density matrix (5058.68286s) started
T12 << 1462292083.13879800 Calculate density matrix (5070.82222s) stopped
T12 >> 1462292083.13885808 Construct density (316.22306s) started
T12 << 1462292083.90170097 Construct density (316.98590s) stopped
T12 >> 1462292083.91813111 Symmetrize density (0.03598s) started
T12 << 1462292083.91820502 Symmetrize density (0.03606s) stopped
T12 << 1462292083.92063308 Pseudo density (5396.38565s) stopped
T12 >> 1462292083.92073607 Atomic density matrices (1385.25392s) started
T12 << 1462292087.27735400 Atomic density matrices (1388.61053s) stopped
T12 >> 1462292087.27739000 Multipole moments (4.70142s) started
T12 << 1462292087.29130292 Multipole moments (4.71533s) stopped
T12 >> 1462292087.29133511 Normalize (2.87730s) started
T12 << 1462292087.29898906 Normalize (2.88495s) stopped
T12 >> 1462292087.29903698 Mix (180.01709s) started
T12 << 1462292087.77729392 Mix (180.49534s) stopped
T12 << 1462292087.77734995 Density (6973.12479s) stopped
T12 >> 1462292087.77737808 Hamiltonian (20239.42568s) started
T12 >> 1462292087.77739310 vbar (11.49153s) started
T12 << 1462292087.81106400 vbar (11.52520s) stopped
T12 >> 1462292087.81118393 XC 3D grid (12010.35785s) started
T12 >> 1462292088.28030801 van der Waals (11602.98432s) started
T12 >> 1462292088.39491105 semilocal (2446.30166s) started
T12 << 1462292094.20497990 semilocal (2452.11172s) stopped
T12 >> 1462292094.27729702 redistribute (1256.79149s) started
T12 << 1462292095.29226995 redistribute (1257.80646s) stopped
T12 >> 1462292095.29234409 libvdwxc nonlocal (7819.00041s) started
T12 << 1462292113.27680111 libvdwxc nonlocal (7836.98486s) stopped
T12 >> 1462292113.27689910 redistribute (1257.80652s) started
T12 << 1462292115.25230098 redistribute (1259.78192s) stopped
T12 << 1462292115.25332308 van der Waals (11629.95734s) stopped
T12 << 1462292115.71370196 XC 3D grid (12038.26037s) stopped
T12 >> 1462292115.71376491 Poisson (2621.06667s) started
T12 << 1462292120.20670104 Poisson (2625.55961s) stopped
T12 >> 1462292120.20689201 Hartree integrate/restrict (156.38339s) started
T12 << 1462292120.24589705 Hartree integrate/restrict (156.42240s) stopped
T12 >> 1462292120.24599695 Hartree integrate/restrict (156.42246s) started
T12 << 1462292120.59258604 Hartree integrate/restrict (156.76905s) stopped
T12 >> 1462292120.59267807 Atomic (1013.42812s) started
T12 >> 1462292120.59445500 XC Correction (0.01396s) started
T12 << 1462292120.59446907 XC Correction (0.01398s) stopped
T12 << 1462292122.98754501 Atomic (1015.82298s) stopped
T12 >> 1462292122.98766303 Communicate (4426.52051s) started
T12 << 1462292137.92900205 Communicate (4441.46185s) stopped
T12 << 1462292137.92902803 Hamiltonian (20289.57733s) stopped
T12 >> 1462292137.92904997 LCAO eigensolver (29098.57455s) started
T12 >> 1462292137.92906308 Potential matrix (437.81972s) started
T12 << 1462292138.87804008 Potential matrix (438.76870s) stopped
T12 >> 1462292138.87812090 DistributedAtomicCorrection (176.99347s) started
T12 << 1462292139.29588008 DistributedAtomicCorrection (177.41123s) stopped
T12 >> 1462292139.29594803 Distribute overlap matrix (3261.01152s) started
T12 >> 1462292139.29597211 blocked summation (1823.17939s) started
T12 << 1462292143.64892507 blocked summation (1827.53234s) stopped
T12 >> 1462292143.65849209 Scalapack redistribute (1433.37598s) started
T12 << 1462292147.05064511 Scalapack redistribute (1436.76813s) stopped
T12 << 1462292147.05073309 Distribute overlap matrix (3268.76630s) stopped
T12 >> 1462292147.05523205 Blacs Orbital Layouts (24425.03659s) started
T12 >> 1462292147.06428790 General diagonalize (24326.27057s) started
T12 << 1462292201.77276206 General diagonalize (24380.97904s) stopped
T12 >> 1462292201.77284193 Redistribute coefs (3.65133s) started
T12 << 1462292201.78191805 Redistribute coefs (3.66040s) stopped
T12 >> 1462292201.78196692 Send coefs to domains (91.00795s) started
T12 << 1462292201.90618110 Send coefs to domains (91.13217s) stopped
T12 << 1462292201.90657306 Blacs Orbital Layouts (24479.88793s) stopped
T12 >> 1462292201.90661097 Calculate projections (795.49007s) started
T12 << 1462292203.68570304 Calculate projections (797.26916s) stopped
T12 << 1462292203.68609810 LCAO eigensolver (29164.33160s) stopped
T12 >> 1462292206.78481889 Density (6973.12480s) started
T12 >> 1462292206.78483605 Pseudo density (5396.38574s) started
T12 >> 1462292206.78833890 Calculate density matrix (5070.82226s) started
T12 << 1462292218.67672992 Calculate density matrix (5082.71066s) stopped
T12 >> 1462292218.67678690 Construct density (316.98596s) started
T12 << 1462292219.43808889 Construct density (317.74726s) stopped
T12 >> 1462292219.45423007 Symmetrize density (0.03607s) started
T12 << 1462292219.45430303 Symmetrize density (0.03615s) stopped
T12 << 1462292219.45674205 Pseudo density (5409.05764s) stopped
T12 >> 1462292219.45681500 Atomic density matrices (1388.61056s) started
T12 << 1462292222.82670808 Atomic density matrices (1391.98046s) stopped
T12 >> 1462292222.82674599 Multipole moments (4.71535s) started
T12 << 1462292222.84059596 Multipole moments (4.72920s) stopped
T12 >> 1462292222.84062696 Normalize (2.88498s) started
T12 << 1462292222.84829807 Normalize (2.89265s) stopped
T12 >> 1462292222.84834409 Mix (180.49540s) started
T12 << 1462292223.35700202 Mix (181.00406s) stopped
T12 << 1462292223.35705805 Density (6989.69704s) stopped
T12 >> 1462292223.35708594 Hamiltonian (20289.57734s) started
T12 >> 1462292223.35710001 vbar (11.52527s) started
T12 << 1462292223.38112903 vbar (11.54929s) stopped
T12 >> 1462292223.38122606 XC 3D grid (12038.26042s) started
T12 >> 1462292223.86898208 van der Waals (11629.95736s) started
T12 >> 1462292223.97958803 semilocal (2452.11177s) started
T12 << 1462292229.70886207 semilocal (2457.84105s) stopped
T12 >> 1462292229.78279901 redistribute (1259.78199s) started
T12 << 1462292230.84316397 redistribute (1260.84235s) stopped
T12 >> 1462292230.84320807 libvdwxc nonlocal (7836.98494s) started
T12 << 1462292249.82683301 libvdwxc nonlocal (7855.96857s) stopped
T12 >> 1462292249.82689905 redistribute (1260.84239s) started
T12 << 1462292251.55641603 redistribute (1262.57190s) stopped
T12 << 1462292251.55754995 van der Waals (11657.64593s) stopped
T12 << 1462292252.02338099 XC 3D grid (12066.90257s) stopped
T12 >> 1462292252.02342296 Poisson (2625.55976s) started
T12 << 1462292256.44694805 Poisson (2629.98328s) stopped
T12 >> 1462292256.44700408 Hartree integrate/restrict (156.76909s) started
T12 << 1462292256.50125408 Hartree integrate/restrict (156.82334s) stopped
T12 >> 1462292256.50130606 Hartree integrate/restrict (156.82338s) started
T12 << 1462292256.81398511 Hartree integrate/restrict (157.13605s) stopped
T12 >> 1462292256.81407595 Atomic (1015.82301s) started
T12 >> 1462292256.81580710 XC Correction (0.01399s) started
T12 << 1462292256.81582189 XC Correction (0.01400s) stopped
T12 << 1462292259.20268989 Atomic (1018.21162s) stopped
T12 >> 1462292259.20278502 Communicate (4441.46187s) started
T12 << 1462292274.17595005 Communicate (4456.43504s) stopped
T12 << 1462292274.17598891 Hamiltonian (20340.39624s) stopped
T12 >> 1462292274.17601395 LCAO eigensolver (29164.33162s) started
T12 >> 1462292274.17602706 Potential matrix (438.76874s) started
T12 << 1462292275.14176106 Potential matrix (439.73448s) stopped
T12 >> 1462292275.14185190 DistributedAtomicCorrection (177.41127s) started
T12 << 1462292275.57182002 DistributedAtomicCorrection (177.84124s) stopped
T12 >> 1462292275.57188702 Distribute overlap matrix (3268.76632s) started
T12 >> 1462292275.57190895 blocked summation (1827.53238s) started
T12 << 1462292279.88589692 blocked summation (1831.84636s) stopped
T12 >> 1462292279.89592910 Scalapack redistribute (1436.76817s) started
T12 << 1462292283.24238610 Scalapack redistribute (1440.11463s) stopped
T12 << 1462292283.24248195 Distribute overlap matrix (3276.43691s) stopped
T12 >> 1462292283.24693298 Blacs Orbital Layouts (24479.88795s) started
T12 >> 1462292283.25546288 General diagonalize (24380.97911s) started
T12 << 1462292338.09342289 General diagonalize (24435.81707s) stopped
T12 >> 1462292338.09348893 Redistribute coefs (3.66044s) started
T12 << 1462292338.10203099 Redistribute coefs (3.66898s) stopped
T12 >> 1462292338.10210109 Send coefs to domains (91.13220s) started
T12 << 1462292338.34767103 Send coefs to domains (91.37777s) stopped
T12 << 1462292338.34828806 Blacs Orbital Layouts (24534.98931s) stopped
T12 >> 1462292338.34831500 Calculate projections (797.26922s) started
T12 << 1462292340.11699605 Calculate projections (799.03790s) stopped
T12 << 1462292340.11736798 LCAO eigensolver (29230.27297s) stopped
T12 << 1462292343.22764111 SCF-cycle (58013.86187s) stopped
T12 >> 1462292345.29390502 Force calculation (2428.29101s) started
T12 >> 1462292345.29398298 LCAO forces (2401.83174s) started
T12 >> 1462292345.29434609 Initial (0.00071s) started
T12 << 1462292345.29435706 Initial (0.00072s) stopped
T12 >> 1462292345.30095506 Get density matrix (1264.71025s) started
T12 << 1462292354.43497109 Get density matrix (1273.84426s) stopped
T12 >> 1462292354.43503499 Potential (190.56382s) started
T12 << 1462292360.49224305 Potential (196.62103s) stopped
T12 >> 1462292360.49229908 Get density matrix (1273.84432s) started
T12 << 1462292391.45562601 Get density matrix (1304.80764s) stopped
T12 >> 1462292391.45568299 Prepare TCI loop (66.58815s) started
T12 >> 1462292391.45619106 Get neighbors (60.33605s) started
T12 << 1462292393.35633707 Get neighbors (62.23620s) stopped
T12 >> 1462292393.35663295 broadcast dH (6.21681s) started
T12 << 1462292393.57940292 broadcast dH (6.43958s) stopped
T12 << 1462292393.57944393 Prepare TCI loop (68.71191s) stopped
T12 >> 1462292393.57946301 Not so complicated loop (3.70334s) started
T12 << 1462292393.69456792 Not so complicated loop (3.81844s) stopped
T12 >> 1462292393.80720711 Complicated loop (572.12199s) started
T12 << 1462292412.58251405 Complicated loop (590.89730s) stopped
T12 >> 1462292412.58418107 Wait for sum (300.15308s) started
T12 << 1462292422.52246189 Wait for sum (310.09136s) stopped
T12 << 1462292422.52249599 LCAO forces (2479.06025s) stopped
T12 << 1462292423.34266210 Force calculation (2506.33977s) stopped
T12 >> 1462292423.36049008 Initialization (4002.72157s) started
T12 << 1462292423.36065888 Initialization (4002.72174s) stopped
T12 >> 1462292423.36087894 Initialization (4002.72175s) started
T12 << 1462292423.36101294 Initialization (4002.72189s) stopped
T12 >> 1462292423.36114907 Initialization (4002.72190s) started
T12 << 1462292423.36127901 Initialization (4002.72203s) stopped
T12 >> 1462292443.64371395 Initialization (4002.72205s) started
T12 >> 1462292443.77098989 Basic WFS set positions (2.80055s) started
T12 >> 1462292443.77101493 Redistribute (0.01149s) started
T12 << 1462292443.77115107 Redistribute (0.01162s) stopped
T12 << 1462292443.86253095 Basic WFS set positions (2.89209s) stopped
T12 >> 1462292443.86255598 Basis functions set positions (57.66760s) started
T12 << 1462292445.74287891 Basis functions set positions (59.54792s) stopped
T12 >> 1462292445.74336100 TCI: Calculate S, T, P (483.78922s) started
T12 << 1462292461.04276705 TCI: Calculate S, T, P (499.08863s) stopped
T12 >> 1462292461.04282498 blocked summation (689.77378s) started
T12 << 1462292485.63875198 blocked summation (714.36971s) stopped
T12 >> 1462292485.64821911 Scalapack redistribute (274.69861s) started
T12 << 1462292495.81358290 Scalapack redistribute (284.86398s) stopped
T12 >> 1462292495.81465197 blocked summation (714.36980s) started
T12 << 1462292496.91483498 blocked summation (715.46998s) stopped
T12 >> 1462292496.92351007 Scalapack redistribute (284.86404s) started
T12 << 1462292497.13594389 Scalapack redistribute (285.07647s) stopped
T12 >> 1462292497.13794494 Redistribute (0.08938s) started
T12 << 1462292497.13849092 Redistribute (0.08993s) stopped
T12 >> 1462292498.82820296 Redistribute (0.08995s) started
T12 << 1462292498.82871604 Redistribute (0.09046s) stopped
T12 >> 1462292498.84376502 LCAO WFS Initialize (2429.20636s) started
T12 >> 1462292498.84384489 Density initialize from wavefunctions (455.46808s) started
T12 >> 1462292498.84961510 Calculate density matrix (316.01435s) started
T12 << 1462292508.66779208 Calculate density matrix (325.83253s) stopped
T12 >> 1462292508.66783905 Construct density (23.87458s) started
T12 << 1462292509.43150997 Construct density (24.63825s) stopped
T12 >> 1462292509.44566488 Symmetrize density (0.00257s) started
T12 << 1462292509.44572711 Symmetrize density (0.00263s) stopped
T12 << 1462292513.06037211 Density initialize from wavefunctions (469.68461s) stopped
T12 >> 1462292513.06063890 Hamiltonian (1972.81538s) started
T12 >> 1462292513.06065702 vbar (0.92360s) started
T12 << 1462292513.08109689 vbar (0.94404s) stopped
T12 >> 1462292513.08120203 XC 3D grid (946.31265s) started
T12 >> 1462292513.67398810 van der Waals (914.48471s) started
T12 >> 1462292513.78410697 semilocal (191.17023s) started
T12 << 1462292519.62616491 semilocal (197.01229s) stopped
T12 >> 1462292519.70609188 redistribute (108.30400s) started
T12 << 1462292520.67856097 redistribute (109.27647s) stopped
T12 >> 1462292520.67861199 libvdwxc nonlocal (608.70790s) started
T12 << 1462292539.07364511 libvdwxc nonlocal (627.10294s) stopped
T12 >> 1462292539.07370496 redistribute (109.27650s) started
T12 << 1462292540.98225808 redistribute (111.18505s) stopped
T12 << 1462292540.98324394 van der Waals (941.79397s) stopped
T12 << 1462292541.44907093 XC 3D grid (974.68052s) stopped
T12 >> 1462292541.44913101 Poisson (510.18797s) started
T12 << 1462292552.95644307 Poisson (521.69528s) stopped
T12 >> 1462292552.95658112 Hartree integrate/restrict (12.21182s) started
T12 << 1462292552.99837589 Hartree integrate/restrict (12.25362s) stopped
T12 >> 1462292552.99845910 Hartree integrate/restrict (12.25367s) started
T12 << 1462292553.32271910 Hartree integrate/restrict (12.57793s) stopped
T12 >> 1462292553.32281494 Atomic (77.94616s) started
T12 >> 1462292553.32471895 XC Correction (0.00128s) started
T12 << 1462292553.32473397 XC Correction (0.00129s) stopped
T12 << 1462292555.70388293 Atomic (80.32723s) stopped
T12 >> 1462292555.70405507 Communicate (425.19356s) started
T12 << 1462292572.66004109 Communicate (442.14954s) stopped
T12 << 1462292572.66007900 Hamiltonian (2032.41482s) stopped
T12 << 1462292572.66009402 LCAO WFS Initialize (2503.02269s) stopped
T12 << 1462292572.67222595 Initialization (4131.75056s) stopped
T12 >> 1462292572.69818592 SCF-cycle (58013.86189s) started
T12 >> 1462292572.69822097 LCAO eigensolver (29230.27299s) started
T12 >> 1462292572.69823408 Potential matrix (439.73453s) started
T12 << 1462292573.66124797 Potential matrix (440.69755s) stopped
T12 >> 1462292573.66131997 DistributedAtomicCorrection (177.84128s) started
T12 << 1462292574.07292104 DistributedAtomicCorrection (178.25288s) stopped
T12 >> 1462292574.07296896 Distribute overlap matrix (3276.43692s) started
T12 >> 1462292574.07300997 blocked summation (1831.84640s) started
T12 << 1462292578.35390401 blocked summation (1836.12729s) stopped
T12 >> 1462292578.36346793 Scalapack redistribute (1440.11469s) started
T12 << 1462292581.80834508 Scalapack redistribute (1443.55957s) stopped
T12 << 1462292581.80841208 Distribute overlap matrix (3284.17237s) stopped
T12 >> 1462292581.81324697 Blacs Orbital Layouts (24534.98932s) started
T12 >> 1462292581.82211804 General diagonalize (24435.81713s) started
T12 << 1462292637.04952502 General diagonalize (24491.04453s) stopped
T12 >> 1462292637.04958797 Redistribute coefs (3.66904s) started
T12 << 1462292637.05671501 Redistribute coefs (3.67617s) stopped
T12 >> 1462292637.05682111 Send coefs to domains (91.37781s) started
T12 << 1462292637.44888210 Send coefs to domains (91.76987s) stopped
T12 << 1462292637.44929790 Blacs Orbital Layouts (24590.62537s) stopped
T12 >> 1462292637.44932699 Calculate projections (799.03798s) started
T12 << 1462292639.21344209 Calculate projections (800.80209s) stopped
T12 << 1462292639.21363807 LCAO eigensolver (29296.78841s) stopped
T12 >> 1462292642.33336902 Density (6989.69706s) started
T12 >> 1462292642.33338594 Pseudo density (5409.05770s) started
T12 >> 1462292642.33682394 Calculate density matrix (5082.71069s) started
T12 << 1462292654.21403503 Calculate density matrix (5094.58791s) stopped
T12 >> 1462292654.21408200 Construct density (317.74732s) started
T12 << 1462292654.97420502 Construct density (318.50744s) stopped
T12 >> 1462292654.98805404 Symmetrize density (0.03616s) started
T12 << 1462292654.98811889 Symmetrize density (0.03623s) stopped
T12 << 1462292654.99010301 Pseudo density (5421.71441s) stopped
T12 >> 1462292654.99016404 Atomic density matrices (1391.98049s) started
T12 << 1462292658.39313102 Atomic density matrices (1395.38346s) stopped
T12 >> 1462292658.39316392 Multipole moments (4.72921s) started
T12 << 1462292658.40655804 Multipole moments (4.74261s) stopped
T12 >> 1462292658.40658092 Normalize (2.89269s) started
T12 << 1462292658.41286898 Normalize (2.89898s) stopped
T12 >> 1462292658.41298103 Mix (181.00411s) started
T12 << 1462292658.74989605 Mix (181.34103s) stopped
T12 << 1462292658.74995208 Density (7006.11364s) stopped
T12 >> 1462292658.74997807 Hamiltonian (20340.39626s) started
T12 >> 1462292658.74999094 vbar (11.54935s) started
T12 << 1462292658.77662110 vbar (11.57598s) stopped
T12 >> 1462292658.77674103 XC 3D grid (12066.90261s) started
T12 >> 1462292659.31272197 van der Waals (11657.64595s) started
T12 >> 1462292659.41979909 semilocal (2457.84115s) started
T12 << 1462292665.16875196 semilocal (2463.59010s) stopped
T12 >> 1462292665.25178289 redistribute (1262.57197s) started
T12 << 1462292666.27999401 redistribute (1263.60018s) stopped
T12 >> 1462292666.28003907 libvdwxc nonlocal (7855.96862s) started
T12 << 1462292684.64902306 libvdwxc nonlocal (7874.33760s) stopped
T12 >> 1462292684.64908195 redistribute (1263.60021s) started
T12 << 1462292686.33578992 redistribute (1265.28692s) stopped
T12 << 1462292686.33694100 van der Waals (11684.67017s) stopped
T12 << 1462292686.80012107 XC 3D grid (12094.92599s) stopped
T12 >> 1462292686.80016208 Poisson (2629.98333s) started
T12 << 1462292691.11817288 Poisson (2634.30134s) stopped
T12 >> 1462292691.11825109 Hartree integrate/restrict (157.13610s) started
T12 << 1462292691.16328692 Hartree integrate/restrict (157.18114s) stopped
T12 >> 1462292691.16337395 Hartree integrate/restrict (157.18120s) started
T12 << 1462292691.47594500 Hartree integrate/restrict (157.49377s) stopped
T12 >> 1462292691.47603989 Atomic (1018.21165s) started
T12 >> 1462292691.47807908 XC Correction (0.01401s) started
T12 << 1462292691.47810102 XC Correction (0.01403s) stopped
T12 << 1462292693.86531091 Atomic (1020.60092s) stopped
T12 >> 1462292693.86548710 Communicate (4456.43506s) started
T12 << 1462292710.72022796 Communicate (4473.28980s) stopped
T12 << 1462292710.72026706 Hamiltonian (20392.36655s) stopped
T12 >> 1462292710.72029305 LCAO eigensolver (29296.78842s) started
T12 >> 1462292710.72030592 Potential matrix (440.69759s) started
T12 << 1462292711.69035506 Potential matrix (441.66764s) stopped
T12 >> 1462292711.69043398 DistributedAtomicCorrection (178.25292s) started
T12 << 1462292712.09851003 DistributedAtomicCorrection (178.66100s) stopped
T12 >> 1462292712.09855700 Distribute overlap matrix (3284.17238s) started
T12 >> 1462292712.09859300 blocked summation (1836.12734s) started
T12 << 1462292716.45466900 blocked summation (1840.48342s) stopped
T12 >> 1462292716.46375394 Scalapack redistribute (1443.55960s) started
T12 << 1462292719.79588795 Scalapack redistribute (1446.89173s) stopped
T12 << 1462292719.79598808 Distribute overlap matrix (3291.86981s) stopped
T12 >> 1462292719.79984093 Blacs Orbital Layouts (24590.62540s) started
T12 >> 1462292719.80852509 General diagonalize (24491.04459s) started
T12 << 1462292774.79130602 General diagonalize (24546.02737s) stopped
T12 >> 1462292774.79138398 Redistribute coefs (3.67625s) started
T12 << 1462292774.79896688 Redistribute coefs (3.68383s) stopped
T12 >> 1462292774.79905295 Send coefs to domains (91.76990s) started
T12 << 1462292775.07425499 Send coefs to domains (92.04510s) stopped
T12 << 1462292775.07465291 Blacs Orbital Layouts (24645.90021s) stopped
T12 >> 1462292775.07468009 Calculate projections (800.80214s) started
T12 << 1462292776.84365702 Calculate projections (802.57112s) stopped
T12 << 1462292776.84385109 LCAO eigensolver (29362.91198s) stopped
T12 >> 1462292779.95287609 Density (7006.11365s) started
T12 >> 1462292779.95289111 Pseudo density (5421.71446s) started
T12 >> 1462292779.95530391 Calculate density matrix (5094.58794s) started
T12 << 1462292791.81865191 Calculate density matrix (5106.45129s) stopped
T12 >> 1462292791.81869888 Construct density (318.50750s) started
T12 << 1462292792.58066702 Construct density (319.26947s) stopped
T12 >> 1462292792.59464598 Symmetrize density (0.03625s) started
T12 << 1462292792.59471011 Symmetrize density (0.03631s) stopped
T12 << 1462292792.59671998 Pseudo density (5434.35829s) stopped
T12 >> 1462292792.59677792 Atomic density matrices (1395.38348s) started
T12 << 1462292796.03326797 Atomic density matrices (1398.81997s) stopped
T12 >> 1462292796.03329992 Multipole moments (4.74262s) started
T12 << 1462292796.04615593 Multipole moments (4.75548s) stopped
T12 >> 1462292796.04617906 Normalize (2.89907s) started
T12 << 1462292796.05226398 Normalize (2.90516s) stopped
T12 >> 1462292796.05234408 Mix (181.34108s) started
T12 << 1462292796.42896509 Mix (181.71770s) stopped
T12 << 1462292796.42907000 Density (7022.58985s) stopped
T12 >> 1462292796.42911291 Hamiltonian (20392.36656s) started
T12 >> 1462292796.42913294 vbar (11.57605s) started
T12 << 1462292796.45400691 vbar (11.60092s) stopped
T12 >> 1462292796.45410299 XC 3D grid (12094.92602s) started
T12 >> 1462292796.97130394 van der Waals (11684.67019s) started
T12 >> 1462292797.07818198 semilocal (2463.59022s) started
T12 << 1462292802.81239009 semilocal (2469.32443s) stopped
T12 >> 1462292802.89637804 redistribute (1265.28696s) started
T12 << 1462292803.98268008 redistribute (1266.37326s) stopped
T12 >> 1462292803.98272204 libvdwxc nonlocal (7874.33765s) started
T12 << 1462292823.11485291 libvdwxc nonlocal (7893.46978s) stopped
T12 >> 1462292823.11491299 redistribute (1266.37329s) started
T12 << 1462292824.80886698 redistribute (1268.06724s) stopped
T12 << 1462292824.81000590 van der Waals (11712.50890s) stopped
T12 << 1462292825.27576995 XC 3D grid (12123.74768s) stopped
T12 >> 1462292825.27583599 Poisson (2634.30139s) started
T12 << 1462292831.11676908 Poisson (2640.14232s) stopped
T12 >> 1462292831.11685300 Hartree integrate/restrict (157.49382s) started
T12 << 1462292831.17144608 Hartree integrate/restrict (157.54841s) stopped
T12 >> 1462292831.17154098 Hartree integrate/restrict (157.54848s) started
T12 << 1462292831.48667312 Hartree integrate/restrict (157.86361s) stopped
T12 >> 1462292831.48677206 Atomic (1020.60094s) started
T12 >> 1462292831.48852897 XC Correction (0.01404s) started
T12 << 1462292831.48854589 XC Correction (0.01406s) stopped
T12 << 1462292833.87207198 Atomic (1022.98624s) stopped
T12 >> 1462292833.87223911 Communicate (4473.28983s) started
T12 << 1462292850.71579909 Communicate (4490.13339s) stopped
T12 << 1462292850.71583700 Hamiltonian (20446.65328s) stopped
T12 >> 1462292850.71586204 LCAO eigensolver (29362.91200s) started
T12 >> 1462292850.71587491 Potential matrix (441.66768s) started
T12 << 1462292851.67456007 Potential matrix (442.62637s) stopped
T12 >> 1462292851.67464399 DistributedAtomicCorrection (178.66104s) started
T12 << 1462292852.08508396 DistributedAtomicCorrection (179.07148s) stopped
T12 >> 1462292852.08512998 Distribute overlap matrix (3291.86982s) started
T12 >> 1462292852.08516598 blocked summation (1840.48345s) started
T12 << 1462292856.36049604 blocked summation (1844.75878s) stopped
T12 >> 1462292856.36949396 Scalapack redistribute (1446.89180s) started
T12 << 1462292859.78033710 Scalapack redistribute (1450.30264s) stopped
T12 << 1462292859.78043294 Distribute overlap matrix (3299.56512s) stopped
T12 >> 1462292859.78446794 Blacs Orbital Layouts (24645.90023s) started
T12 >> 1462292859.79341006 General diagonalize (24546.02744s) started
T12 << 1462292913.23014998 General diagonalize (24599.46418s) stopped
T12 >> 1462292913.23022103 Redistribute coefs (3.68391s) started
T12 << 1462292913.23775792 Redistribute coefs (3.69144s) stopped
T12 >> 1462292913.23784208 Send coefs to domains (92.04513s) started
T12 << 1462292913.33446908 Send coefs to domains (92.14176s) stopped
T12 << 1462292913.33512497 Blacs Orbital Layouts (24699.45088s) stopped
T12 >> 1462292913.33515406 Calculate projections (802.57117s) started
T12 << 1462292915.09983301 Calculate projections (804.33585s) stopped
T12 << 1462292915.10001993 LCAO eigensolver (29427.29616s) stopped
T12 >> 1462292918.21750212 Density (7022.58987s) started
T12 >> 1462292918.21751690 Pseudo density (5434.35834s) started
T12 >> 1462292918.21977806 Calculate density matrix (5106.45132s) started
T12 << 1462292930.09475207 Calculate density matrix (5118.32630s) stopped
T12 >> 1462292930.09480190 Construct density (319.26951s) started
T12 << 1462292930.85544300 Construct density (320.03016s) stopped
T12 >> 1462292930.86923409 Symmetrize density (0.03633s) started
T12 << 1462292930.86929703 Symmetrize density (0.03639s) stopped
T12 << 1462292930.87124896 Pseudo density (5447.01207s) stopped
T12 >> 1462292930.87130690 Atomic density matrices (1398.81999s) started
T12 << 1462292934.32005191 Atomic density matrices (1402.26874s) stopped
T12 >> 1462292934.32008410 Multipole moments (4.75550s) started
T12 << 1462292934.33297610 Multipole moments (4.76839s) stopped
T12 >> 1462292934.33299899 Normalize (2.90522s) started
T12 << 1462292934.33945990 Normalize (2.91168s) stopped
T12 >> 1462292934.33955693 Mix (181.71780s) started
T12 << 1462292934.75586390 Mix (182.13411s) stopped
T12 << 1462292934.75592494 Density (7039.12829s) stopped
T12 >> 1462292934.75595188 Hamiltonian (20446.65330s) started
T12 >> 1462292934.75596690 vbar (11.60098s) started
T12 << 1462292934.77930903 vbar (11.62432s) stopped
T12 >> 1462292934.77939296 XC 3D grid (12123.74774s) started
T12 >> 1462292935.28515291 van der Waals (11712.50892s) started
T12 >> 1462292935.39264798 semilocal (2469.32458s) started
T12 << 1462292941.11571908 semilocal (2475.04765s) stopped
T12 >> 1462292941.20174694 redistribute (1268.06729s) started
T12 << 1462292942.26994705 redistribute (1269.13549s) stopped
T12 >> 1462292942.26998901 libvdwxc nonlocal (7893.46982s) started
T12 << 1462292961.24075603 libvdwxc nonlocal (7912.44059s) stopped
T12 >> 1462292961.24088693 redistribute (1269.13553s) started
T12 << 1462292962.95778298 redistribute (1270.85242s) stopped
T12 << 1462292962.95891190 van der Waals (11740.18268s) stopped
T12 << 1462292963.42214894 XC 3D grid (12152.39049s) stopped
T12 >> 1462292963.42219806 Poisson (2640.14239s) started
T12 << 1462292970.69899201 Poisson (2647.41919s) stopped
T12 >> 1462292970.69913507 Hartree integrate/restrict (157.86366s) started
T12 << 1462292970.75067496 Hartree integrate/restrict (157.91520s) stopped
T12 >> 1462292970.75077295 Hartree integrate/restrict (157.91527s) started
T12 << 1462292971.06600595 Hartree integrate/restrict (158.23050s) stopped
T12 >> 1462292971.06610799 Atomic (1022.98626s) started
T12 >> 1462292971.06783509 XC Correction (0.01407s) started
T12 << 1462292971.06785202 XC Correction (0.01409s) stopped
T12 << 1462292973.45121908 Atomic (1025.37137s) stopped
T12 >> 1462292973.45137811 Communicate (4490.13341s) started
T12 << 1462292989.98804903 Communicate (4506.67008s) stopped
T12 << 1462292989.98808193 Hamiltonian (20501.88543s) stopped
T12 >> 1462292989.98810697 LCAO eigensolver (29427.29620s) started
T12 >> 1462292989.98812008 Potential matrix (442.62642s) started
T12 << 1462292990.95151091 Potential matrix (443.58981s) stopped
T12 >> 1462292990.95158100 DistributedAtomicCorrection (179.07151s) started
T12 << 1462292991.36587811 DistributedAtomicCorrection (179.48581s) stopped
T12 >> 1462292991.36592388 Distribute overlap matrix (3299.56514s) started
T12 >> 1462292991.36595988 blocked summation (1844.75881s) started
T12 << 1462292995.60743308 blocked summation (1849.00029s) stopped
T12 >> 1462292995.61736107 Scalapack redistribute (1450.30270s) started
T12 << 1462292999.07373405 Scalapack redistribute (1453.75907s) stopped
T12 << 1462292999.07383800 Distribute overlap matrix (3307.27305s) stopped
T12 >> 1462292999.07774806 Blacs Orbital Layouts (24699.45090s) started
T12 >> 1462292999.08654499 General diagonalize (24599.46424s) started
T12 << 1462293051.55308104 General diagonalize (24651.93077s) stopped
T12 >> 1462293051.55312800 Redistribute coefs (3.69151s) started
T12 << 1462293051.56041193 Redistribute coefs (3.69880s) stopped
T12 >> 1462293051.56049991 Send coefs to domains (92.14179s) started
T12 << 1462293052.11307406 Send coefs to domains (92.69437s) stopped
T12 << 1462293052.11354995 Blacs Orbital Layouts (24752.48670s) stopped
T12 >> 1462293052.11357689 Calculate projections (804.33591s) started
T12 << 1462293053.87892795 Calculate projections (806.10126s) stopped
T12 << 1462293053.87928295 LCAO eigensolver (29491.18738s) stopped
T12 >> 1462293056.98719311 Density (7039.12831s) started
T12 >> 1462293056.98720789 Pseudo density (5447.01212s) started
T12 >> 1462293056.98947406 Calculate density matrix (5118.32633s) started
T12 << 1462293068.86429501 Calculate density matrix (5130.20115s) stopped
T12 >> 1462293068.86434197 Construct density (320.03020s) started
T12 << 1462293069.62705588 Construct density (320.79292s) stopped
T12 >> 1462293069.64093089 Symmetrize density (0.03641s) started
T12 << 1462293069.64098597 Symmetrize density (0.03646s) stopped
T12 << 1462293069.64294696 Pseudo density (5459.66786s) stopped
T12 >> 1462293069.64300704 Atomic density matrices (1402.26876s) started
T12 << 1462293073.09801698 Atomic density matrices (1405.72377s) stopped
T12 >> 1462293073.09804893 Multipole moments (4.76840s) started
T12 << 1462293073.11146307 Multipole moments (4.78182s) stopped
T12 >> 1462293073.11149406 Normalize (2.91176s) started
T12 << 1462293073.11793494 Normalize (2.91820s) stopped
T12 >> 1462293073.11803293 Mix (182.13417s) started
T12 << 1462293073.53091693 Mix (182.54705s) stopped
T12 << 1462293073.53098702 Density (7055.67210s) stopped
T12 >> 1462293073.53101707 Hamiltonian (20501.88544s) started
T12 >> 1462293073.53103495 vbar (11.62437s) started
T12 << 1462293073.55356312 vbar (11.64690s) stopped
T12 >> 1462293073.55365491 XC 3D grid (12152.39053s) started
T12 >> 1462293074.08213902 van der Waals (11740.18270s) started
T12 >> 1462293074.19016099 semilocal (2475.04775s) started
T12 << 1462293079.95695400 semilocal (2480.81454s) stopped
T12 >> 1462293080.03671098 redistribute (1270.85248s) started
T12 << 1462293081.05664897 redistribute (1271.87242s) stopped
T12 >> 1462293081.05669308 libvdwxc nonlocal (7912.44071s) started
T12 << 1462293100.04169703 libvdwxc nonlocal (7931.42571s) stopped
T12 >> 1462293100.04176211 redistribute (1271.87245s) started
T12 << 1462293101.86671805 redistribute (1273.69741s) stopped
T12 << 1462293101.86768293 van der Waals (11767.96824s) stopped
T12 << 1462293102.33442211 XC 3D grid (12181.17130s) stopped
T12 >> 1462293102.33446288 Poisson (2647.41930s) started
T12 << 1462293106.73938704 Poisson (2651.82423s) stopped
T12 >> 1462293106.73944712 Hartree integrate/restrict (158.23055s) started
T12 << 1462293106.79464793 Hartree integrate/restrict (158.28575s) stopped
T12 >> 1462293106.79470110 Hartree integrate/restrict (158.28579s) started
T12 << 1462293107.11001396 Hartree integrate/restrict (158.60110s) stopped
T12 >> 1462293107.11008406 Atomic (1025.37139s) started
T12 >> 1462293107.11174989 XC Correction (0.01410s) started
T12 << 1462293107.11176395 XC Correction (0.01411s) stopped
T12 << 1462293109.49488401 Atomic (1027.75619s) stopped
T12 >> 1462293109.49504399 Communicate (4506.67011s) started
T12 << 1462293125.05333900 Communicate (4522.22840s) stopped
T12 << 1462293125.05337691 Hamiltonian (20553.40780s) stopped
T12 >> 1462293125.05340409 LCAO eigensolver (29491.18740s) started
T12 >> 1462293125.05341601 Potential matrix (443.58985s) started
T12 << 1462293126.02031207 Potential matrix (444.55675s) stopped
T12 >> 1462293126.02039909 DistributedAtomicCorrection (179.48585s) started
T12 << 1462293126.43903899 DistributedAtomicCorrection (179.90449s) stopped
T12 >> 1462293126.43908596 Distribute overlap matrix (3307.27306s) started
T12 >> 1462293126.43912196 blocked summation (1849.00032s) started
T12 << 1462293130.75980091 blocked summation (1853.32100s) stopped
T12 >> 1462293130.76975012 Scalapack redistribute (1453.75913s) started
T12 << 1462293134.17748809 Scalapack redistribute (1457.16687s) stopped
T12 << 1462293134.17757607 Distribute overlap matrix (3315.01155s) stopped
T12 >> 1462293134.18169999 Blacs Orbital Layouts (24752.48672s) started
T12 >> 1462293134.19042397 General diagonalize (24651.93081s) started
T12 << 1462293189.18282390 General diagonalize (24706.92321s) stopped
T12 >> 1462293189.18286705 Redistribute coefs (3.69887s) started
T12 << 1462293189.19003105 Redistribute coefs (3.70603s) stopped
T12 >> 1462293189.19011211 Send coefs to domains (92.69440s) started
T12 << 1462293189.43282104 Send coefs to domains (92.93711s) stopped
T12 << 1462293189.43323493 Blacs Orbital Layouts (24807.73826s) stopped
T12 >> 1462293189.43326306 Calculate projections (806.10131s) started
T12 << 1462293191.20164990 Calculate projections (807.86970s) stopped
T12 << 1462293191.20201111 LCAO eigensolver (29557.33601s) stopped
T12 >> 1462293194.31128907 Density (7055.67211s) started
T12 >> 1462293194.31130409 Pseudo density (5459.66791s) started
T12 >> 1462293194.31371689 Calculate density matrix (5130.20118s) started
T12 << 1462293207.30995607 Calculate density matrix (5143.19742s) stopped
T12 >> 1462293207.31000400 Construct density (320.79297s) started
T12 << 1462293208.07084394 Construct density (321.55381s) stopped
T12 >> 1462293208.08493710 Symmetrize density (0.03648s) started
T12 << 1462293208.08499289 Symmetrize density (0.03653s) stopped
T12 << 1462293208.08699894 Pseudo density (5473.44360s) stopped
T12 >> 1462293208.08705711 Atomic density matrices (1405.72380s) started
T12 << 1462293211.46577597 Atomic density matrices (1409.10252s) stopped
T12 >> 1462293211.46581101 Multipole moments (4.78183s) started
T12 << 1462293211.47916007 Multipole moments (4.79518s) stopped
T12 >> 1462293211.47919297 Normalize (2.91828s) started
T12 << 1462293211.48533607 Normalize (2.92442s) stopped
T12 >> 1462293211.48540497 Mix (182.54712s) started
T12 << 1462293211.89953709 Mix (182.96125s) stopped
T12 << 1462293211.89961004 Density (7073.26044s) stopped
T12 >> 1462293211.89964104 Hamiltonian (20553.40781s) started
T12 >> 1462293211.89965701 vbar (11.64695s) started
T12 << 1462293211.92446303 vbar (11.67176s) stopped
T12 >> 1462293211.92457700 XC 3D grid (12181.17133s) started
T12 >> 1462293212.48589492 van der Waals (11767.96827s) started
T12 >> 1462293212.59402990 semilocal (2480.81463s) started
T12 << 1462293218.35051394 semilocal (2486.57112s) stopped
T12 >> 1462293218.42940307 redistribute (1273.69744s) started
T12 << 1462293219.47924089 redistribute (1274.74728s) stopped
T12 >> 1462293219.47929406 libvdwxc nonlocal (7931.42576s) started
T12 << 1462293238.23593307 libvdwxc nonlocal (7950.18240s) stopped
T12 >> 1462293238.23599696 redistribute (1274.74731s) started
T12 << 1462293239.91510510 redistribute (1276.42642s) stopped
T12 << 1462293239.91626096 van der Waals (11795.39864s) stopped
T12 << 1462293240.37914491 XC 3D grid (12209.62590s) stopped
T12 >> 1462293240.37918711 Poisson (2651.82427s) started
T12 << 1462293246.20501089 Poisson (2657.65009s) stopped
T12 >> 1462293246.20508599 Hartree integrate/restrict (158.60113s) started
T12 << 1462293246.25057507 Hartree integrate/restrict (158.64662s) stopped
T12 >> 1462293246.25063705 Hartree integrate/restrict (158.64666s) started
T12 << 1462293246.57144403 Hartree integrate/restrict (158.96747s) stopped
T12 >> 1462293246.57151389 Atomic (1027.75622s) started
T12 >> 1462293246.57326293 XC Correction (0.01413s) started
T12 << 1462293246.57327795 XC Correction (0.01414s) stopped
T12 << 1462293248.95474696 Atomic (1030.13945s) stopped
T12 >> 1462293248.95490289 Communicate (4522.22843s) started
T12 << 1462293263.83779407 Communicate (4537.11132s) stopped
T12 << 1462293263.83783388 Hamiltonian (20605.34600s) stopped
T12 >> 1462293263.83785892 LCAO eigensolver (29557.33603s) started
T12 >> 1462293263.83787203 Potential matrix (444.55680s) started
T12 << 1462293264.80989003 Potential matrix (445.52882s) stopped
T12 >> 1462293264.80997705 DistributedAtomicCorrection (179.90453s) started
T12 << 1462293265.23599291 DistributedAtomicCorrection (180.33054s) stopped
T12 >> 1462293265.23605990 Distribute overlap matrix (3315.01157s) started
T12 >> 1462293265.23608303 blocked summation (1853.32103s) started
T12 << 1462293269.55139089 blocked summation (1857.63634s) stopped
T12 >> 1462293269.56036401 Scalapack redistribute (1457.16692s) started
T12 << 1462293272.94248295 Scalapack redistribute (1460.54904s) stopped
T12 << 1462293272.94257593 Distribute overlap matrix (3322.71808s) stopped
T12 >> 1462293272.94663692 Blacs Orbital Layouts (24807.73828s) started
T12 >> 1462293272.95522404 General diagonalize (24706.92325s) started
T12 << 1462293327.98938799 General diagonalize (24761.95741s) stopped
T12 >> 1462293327.98946190 Redistribute coefs (3.70610s) started
T12 << 1462293327.99666095 Redistribute coefs (3.71330s) stopped
T12 >> 1462293327.99676609 Send coefs to domains (92.93715s) started
T12 << 1462293328.25444198 Send coefs to domains (93.19482s) stopped
T12 << 1462293328.25483108 Blacs Orbital Layouts (24863.04647s) stopped
T12 >> 1462293328.25485897 Calculate projections (807.86975s) started
T12 << 1462293330.01950002 Calculate projections (809.63439s) stopped
T12 << 1462293330.01968694 LCAO eigensolver (29623.51785s) stopped
T12 >> 1462293333.15931392 Density (7073.26045s) started
T12 >> 1462293333.15933108 Pseudo density (5473.44365s) started
T12 >> 1462293333.16181111 Calculate density matrix (5143.19745s) started
T12 << 1462293345.00888610 Calculate density matrix (5155.04453s) stopped
T12 >> 1462293345.00893497 Construct density (321.55386s) started
T12 << 1462293345.77103591 Construct density (322.31596s) stopped
T12 >> 1462293345.78514910 Symmetrize density (0.03655s) started
T12 << 1462293345.78520489 Symmetrize density (0.03661s) stopped
T12 << 1462293345.78720093 Pseudo density (5486.07152s) stopped
T12 >> 1462293345.78726196 Atomic density matrices (1409.10255s) started
T12 << 1462293349.13348508 Atomic density matrices (1412.44877s) stopped
T12 >> 1462293349.13351703 Multipole moments (4.79520s) started
T12 << 1462293349.14679790 Multipole moments (4.80848s) stopped
T12 >> 1462293349.14682794 Normalize (2.92447s) started
T12 << 1462293349.15318108 Normalize (2.93083s) stopped
T12 >> 1462293349.15328097 Mix (182.96133s) started
T12 << 1462293349.55226207 Mix (183.36031s) stopped
T12 << 1462293349.55232310 Density (7089.65346s) stopped
T12 >> 1462293349.55234909 Hamiltonian (20605.34602s) started
T12 >> 1462293349.55236411 vbar (11.67183s) started
T12 << 1462293349.57509804 vbar (11.69456s) stopped
T12 >> 1462293349.57520008 XC 3D grid (12209.62593s) started
T12 >> 1462293350.17046905 van der Waals (11795.39866s) started
T12 >> 1462293350.27985692 semilocal (2486.57119s) started
T12 << 1462293356.11599803 semilocal (2492.40733s) stopped
T12 >> 1462293356.21352911 redistribute (1276.42646s) started
T12 << 1462293357.12997794 redistribute (1277.34291s) stopped
T12 >> 1462293357.13004494 libvdwxc nonlocal (7950.18245s) started
T12 << 1462293375.16277003 libvdwxc nonlocal (7968.21517s) stopped
T12 >> 1462293375.16284895 redistribute (1277.34296s) started
T12 << 1462293376.84970903 redistribute (1279.02982s) stopped
T12 << 1462293376.85079694 van der Waals (11822.07899s) stopped
T12 << 1462293377.31239891 XC 3D grid (12237.36313s) stopped
T12 >> 1462293377.31244111 Poisson (2657.65015s) started
T12 << 1462293383.11830211 Poisson (2663.45601s) stopped
T12 >> 1462293383.11837697 Hartree integrate/restrict (158.96750s) started
T12 << 1462293383.16524696 Hartree integrate/restrict (159.01437s) stopped
T12 >> 1462293383.16533399 Hartree integrate/restrict (159.01443s) started
T12 << 1462293383.45715189 Hartree integrate/restrict (159.30625s) stopped
T12 >> 1462293383.45724702 Atomic (1030.13947s) started
T12 >> 1462293383.45893002 XC Correction (0.01415s) started
T12 << 1462293383.45894408 XC Correction (0.01416s) stopped
T12 << 1462293385.86004901 Atomic (1032.54228s) stopped
T12 >> 1462293385.86019111 Communicate (4537.11135s) started
T12 << 1462293400.75882792 Communicate (4552.00998s) stopped
T12 << 1462293400.75886393 Hamiltonian (20656.55253s) stopped
T12 >> 1462293400.75888991 LCAO eigensolver (29623.51787s) started
T12 >> 1462293400.75890398 Potential matrix (445.52887s) started
T12 << 1462293401.72221303 Potential matrix (446.49218s) stopped
T12 >> 1462293401.72228193 DistributedAtomicCorrection (180.33058s) started
T12 << 1462293402.14456296 DistributedAtomicCorrection (180.75286s) stopped
T12 >> 1462293402.14462900 Distribute overlap matrix (3322.71810s) started
T12 >> 1462293402.14465094 blocked summation (1857.63639s) started
T12 << 1462293406.44749689 blocked summation (1861.93924s) stopped
T12 >> 1462293406.45636797 Scalapack redistribute (1460.54910s) started
T12 << 1462293409.97521591 Scalapack redistribute (1464.06795s) stopped
T12 << 1462293409.97527599 Distribute overlap matrix (3330.54874s) stopped
T12 >> 1462293409.97937703 Blacs Orbital Layouts (24863.04649s) started
T12 >> 1462293409.98830795 General diagonalize (24761.95747s) started
T12 << 1462293462.21727610 General diagonalize (24814.18644s) stopped
T12 >> 1462293462.21732211 Redistribute coefs (3.71338s) started
T12 << 1462293462.22467899 Redistribute coefs (3.72074s) stopped
T12 >> 1462293462.22477007 Send coefs to domains (93.19486s) started
T12 << 1462293462.31306505 Send coefs to domains (93.28315s) stopped
T12 << 1462293462.31346989 Blacs Orbital Layouts (24915.38058s) stopped
T12 >> 1462293462.31349802 Calculate projections (809.63444s) started
T12 << 1462293464.07849407 Calculate projections (811.39944s) stopped
T12 << 1462293464.07867908 LCAO eigensolver (29686.83766s) stopped
T12 >> 1462293467.19274306 Density (7089.65347s) started
T12 >> 1462293467.19275808 Pseudo density (5486.07157s) started
T12 >> 1462293467.19551206 Calculate density matrix (5155.04457s) started
T12 << 1462293479.03960204 Calculate density matrix (5166.88866s) stopped
T12 >> 1462293479.03965092 Construct density (322.31601s) started
T12 << 1462293479.80241203 Construct density (323.07877s) stopped
T12 >> 1462293479.81653690 Symmetrize density (0.03662s) started
T12 << 1462293479.81659389 Symmetrize density (0.03668s) stopped
T12 << 1462293479.81858397 Pseudo density (5498.69739s) stopped
T12 >> 1462293479.81864500 Atomic density matrices (1412.44879s) started
T12 << 1462293483.21475911 Atomic density matrices (1415.84491s) stopped
T12 >> 1462293483.21479702 Multipole moments (4.80850s) started
T12 << 1462293483.22754908 Multipole moments (4.82125s) stopped
T12 >> 1462293483.22758007 Normalize (2.93091s) started
T12 << 1462293483.23368406 Normalize (2.93701s) stopped
T12 >> 1462293483.23377609 Mix (183.36037s) started
T12 << 1462293483.68239808 Mix (183.80899s) stopped
T12 << 1462293483.68248296 Density (7106.14321s) stopped
T12 >> 1462293483.68251705 Hamiltonian (20656.55255s) started
T12 >> 1462293483.68253303 vbar (11.69462s) started
T12 << 1462293483.70287609 vbar (11.71496s) stopped
T12 >> 1462293483.70294595 XC 3D grid (12237.36316s) started
T12 >> 1462293484.21395206 van der Waals (11822.07902s) started
T12 >> 1462293484.32292390 semilocal (2492.40737s) started
T12 << 1462293490.07188702 semilocal (2498.15634s) stopped
T12 >> 1462293490.15082502 redistribute (1279.02987s) started
T12 << 1462293491.17426991 redistribute (1280.05332s) stopped
T12 >> 1462293491.17433095 libvdwxc nonlocal (7968.21524s) started
T12 << 1462293509.63885903 libvdwxc nonlocal (7986.67976s) stopped
T12 >> 1462293509.63892794 redistribute (1280.05337s) started
T12 << 1462293511.52473593 redistribute (1281.93917s) stopped
T12 << 1462293511.52589607 van der Waals (11849.39096s) stopped
T12 << 1462293511.98704410 XC 3D grid (12265.64726s) stopped
T12 >> 1462293511.98708606 Poisson (2663.45606s) started
T12 << 1462293516.62065101 Poisson (2668.08963s) stopped
T12 >> 1462293516.62071300 Hartree integrate/restrict (159.30630s) started
T12 << 1462293516.68603492 Hartree integrate/restrict (159.37162s) stopped
T12 >> 1462293516.68608999 Hartree integrate/restrict (159.37165s) started
T12 << 1462293517.00125289 Hartree integrate/restrict (159.68682s) stopped
T12 >> 1462293517.00135303 Atomic (1032.54230s) started
T12 >> 1462293517.00307298 XC Correction (0.01417s) started
T12 << 1462293517.00308800 XC Correction (0.01419s) stopped
T12 << 1462293519.38227606 Atomic (1034.92322s) stopped
T12 >> 1462293519.38241506 Communicate (4552.01001s) started
T12 << 1462293534.33490300 Communicate (4566.96250s) stopped
T12 << 1462293534.33493996 Hamiltonian (20707.20497s) stopped
T12 >> 1462293534.33496594 LCAO eigensolver (29686.83768s) started
T12 >> 1462293534.33497906 Potential matrix (446.49222s) started
T12 << 1462293535.29267097 Potential matrix (447.44991s) stopped
T12 >> 1462293535.29275608 DistributedAtomicCorrection (180.75290s) started
T12 << 1462293535.71294403 DistributedAtomicCorrection (181.17309s) stopped
T12 >> 1462293535.71301103 Distribute overlap matrix (3330.54876s) started
T12 >> 1462293535.71303296 blocked summation (1861.93927s) started
T12 << 1462293540.02695489 blocked summation (1866.25319s) stopped
T12 >> 1462293540.03601003 Scalapack redistribute (1464.06798s) started
T12 << 1462293543.53836012 Scalapack redistribute (1467.57033s) stopped
T12 << 1462293543.53846407 Distribute overlap matrix (3338.37421s) stopped
T12 >> 1462293543.54239106 Blacs Orbital Layouts (24915.38060s) started
T12 >> 1462293543.55080605 General diagonalize (24814.18648s) started
T12 << 1462293598.25348496 General diagonalize (24868.88916s) stopped
T12 >> 1462293598.25353098 Redistribute coefs (3.72081s) started
T12 << 1462293598.26095104 Redistribute coefs (3.72823s) stopped
T12 >> 1462293598.26106501 Send coefs to domains (93.28319s) started
T12 << 1462293598.36130190 Send coefs to domains (93.38342s) stopped
T12 << 1462293598.36171389 Blacs Orbital Layouts (24970.19993s) stopped
T12 >> 1462293598.36174107 Calculate projections (811.39949s) started
T12 << 1462293600.12935996 Calculate projections (813.16711s) stopped
T12 << 1462293600.12955093 LCAO eigensolver (29752.63226s) stopped
T12 >> 1462293603.23147607 Density (7106.14323s) started
T12 >> 1462293603.23149204 Pseudo density (5498.69744s) started
T12 >> 1462293603.23331904 Calculate density matrix (5166.88869s) started
T12 << 1462293615.16316509 Calculate density matrix (5178.81854s) stopped
T12 >> 1462293615.16321301 Construct density (323.07882s) started
T12 << 1462293615.92802405 Construct density (323.84363s) stopped
T12 >> 1462293615.94221592 Symmetrize density (0.03670s) started
T12 << 1462293615.94227910 Symmetrize density (0.03676s) stopped
T12 << 1462293615.94424009 Pseudo density (5511.41019s) stopped
T12 >> 1462293615.94430208 Atomic density matrices (1415.84493s) started
T12 << 1462293619.31359005 Atomic density matrices (1419.21422s) stopped
T12 >> 1462293619.31362510 Multipole moments (4.82127s) started
T12 << 1462293619.32696295 Multipole moments (4.83460s) stopped
T12 >> 1462293619.32699490 Normalize (2.93708s) started
T12 << 1462293619.33335400 Normalize (2.94344s) stopped
T12 >> 1462293619.33345294 Mix (183.80907s) started
T12 << 1462293619.79561901 Mix (184.27124s) stopped
T12 << 1462293619.79569411 Density (7122.70745s) stopped
T12 >> 1462293619.79572296 Hamiltonian (20707.20498s) started
T12 >> 1462293619.79573798 vbar (11.71500s) started
T12 << 1462293619.81563401 vbar (11.73490s) stopped
T12 >> 1462293619.81570506 XC 3D grid (12265.64729s) started
T12 >> 1462293620.39001489 van der Waals (11849.39098s) started
T12 >> 1462293620.49807000 semilocal (2498.15645s) started
T12 << 1462293626.29091907 semilocal (2503.94930s) stopped
T12 >> 1462293626.37424302 redistribute (1281.93923s) started
T12 << 1462293627.36149597 redistribute (1282.92649s) stopped
T12 >> 1462293627.36154199 libvdwxc nonlocal (7986.67982s) started
T12 << 1462293646.79380703 libvdwxc nonlocal (8006.11208s) stopped
T12 >> 1462293646.79387212 redistribute (1282.92652s) started
T12 << 1462293648.50539994 redistribute (1284.63805s) stopped
T12 << 1462293648.50654292 van der Waals (11877.50751s) stopped
T12 << 1462293648.97144198 XC 3D grid (12294.80302s) stopped
T12 >> 1462293648.97149706 Poisson (2668.08967s) started
T12 << 1462293653.47162795 Poisson (2672.58980s) stopped
T12 >> 1462293653.47168493 Hartree integrate/restrict (159.68687s) started
T12 << 1462293653.53180790 Hartree integrate/restrict (159.74699s) stopped
T12 >> 1462293653.53191710 Hartree integrate/restrict (159.74707s) started
T12 << 1462293653.85058999 Hartree integrate/restrict (160.06574s) stopped
T12 >> 1462293653.85070395 Atomic (1034.92325s) started
T12 >> 1462293653.85256410 XC Correction (0.01420s) started
T12 << 1462293653.85258603 XC Correction (0.01422s) stopped
T12 << 1462293656.22851801 Atomic (1037.30106s) stopped
T12 >> 1462293656.22864604 Communicate (4566.96252s) started
T12 << 1462293671.17413092 Communicate (4581.90800s) stopped
T12 << 1462293671.17416906 Hamiltonian (20758.58343s) stopped
T12 >> 1462293671.17419505 LCAO eigensolver (29752.63228s) started
T12 >> 1462293671.17420793 Potential matrix (447.44996s) started
T12 << 1462293672.13383007 Potential matrix (448.40958s) stopped
T12 >> 1462293672.13391590 DistributedAtomicCorrection (181.17313s) started
T12 << 1462293672.56500506 DistributedAtomicCorrection (181.60422s) stopped
T12 >> 1462293672.56507111 Distribute overlap matrix (3338.37422s) started
T12 >> 1462293672.56509399 blocked summation (1866.25322s) started
T12 << 1462293676.89123797 blocked summation (1870.57936s) stopped
T12 >> 1462293676.90041304 Scalapack redistribute (1467.57039s) started
T12 << 1462293680.35634089 Scalapack redistribute (1471.02632s) stopped
T12 << 1462293680.35643411 Distribute overlap matrix (3346.16558s) stopped
T12 >> 1462293680.36055303 Blacs Orbital Layouts (24970.19994s) started
T12 >> 1462293680.36909604 General diagonalize (24868.88920s) started
T12 << 1462293733.54758310 General diagonalize (24922.06768s) stopped
T12 >> 1462293733.54762912 Redistribute coefs (3.72832s) started
T12 << 1462293733.55483007 Redistribute coefs (3.73552s) stopped
T12 >> 1462293733.55493903 Send coefs to domains (93.38346s) started
T12 << 1462293733.64905000 Send coefs to domains (93.47757s) stopped
T12 << 1462293733.64944005 Blacs Orbital Layouts (25023.48883s) stopped
T12 >> 1462293733.64946699 Calculate projections (813.16716s) started
T12 << 1462293735.41479397 Calculate projections (814.93249s) stopped
T12 << 1462293735.41498804 LCAO eigensolver (29816.87307s) stopped
T12 >> 1462293738.52443504 Density (7122.70746s) started
T12 >> 1462293738.52444911 Pseudo density (5511.41024s) started
T12 >> 1462293738.52655292 Calculate density matrix (5178.81858s) started
T12 << 1462293750.42035890 Calculate density matrix (5190.71238s) stopped
T12 >> 1462293750.42040610 Construct density (323.84368s) started
T12 << 1462293751.18602395 Construct density (324.60930s) stopped
T12 >> 1462293751.20022297 Symmetrize density (0.03677s) started
T12 << 1462293751.20028591 Symmetrize density (0.03684s) stopped
T12 << 1462293751.20224500 Pseudo density (5524.08804s) stopped
T12 >> 1462293751.20230508 Atomic density matrices (1419.21425s) started
T12 << 1462293754.57049108 Atomic density matrices (1422.58243s) stopped
T12 >> 1462293754.57052493 Multipole moments (4.83462s) started
T12 << 1462293754.58430290 Multipole moments (4.84840s) stopped
T12 >> 1462293754.58433390 Normalize (2.94352s) started
T12 << 1462293754.59070897 Normalize (2.94990s) stopped
T12 >> 1462293754.59080911 Mix (184.27131s) started
T12 << 1462293754.99841499 Mix (184.67892s) stopped
T12 << 1462293754.99849510 Density (7139.18152s) stopped
T12 >> 1462293754.99853206 Hamiltonian (20758.58344s) started
T12 >> 1462293754.99854994 vbar (11.73494s) started
T12 << 1462293755.01863790 vbar (11.75503s) stopped
T12 >> 1462293755.01872706 XC 3D grid (12294.80307s) started
T12 >> 1462293755.53003311 van der Waals (11877.50754s) started
T12 >> 1462293755.63754010 semilocal (2503.94941s) started
T12 << 1462293761.41521597 semilocal (2509.72709s) stopped
T12 >> 1462293761.49735498 redistribute (1284.63810s) started
T12 << 1462293762.52784610 redistribute (1285.66859s) stopped
T12 >> 1462293762.52791309 libvdwxc nonlocal (8006.11213s) started
T12 << 1462293781.48434806 libvdwxc nonlocal (8025.06857s) stopped
T12 >> 1462293781.48441195 redistribute (1285.66865s) started
T12 << 1462293783.20813298 redistribute (1287.39237s) stopped
T12 << 1462293783.20914602 van der Waals (11905.18665s) stopped
T12 << 1462293783.67333102 XC 3D grid (12323.45767s) stopped
T12 >> 1462293783.67338896 Poisson (2672.58985s) started
T12 << 1462293788.15784192 Poisson (2677.07430s) stopped
T12 >> 1462293788.15795803 Hartree integrate/restrict (160.06581s) started
T12 << 1462293788.21452498 Hartree integrate/restrict (160.12238s) stopped
T12 >> 1462293788.21462297 Hartree integrate/restrict (160.12245s) started
T12 << 1462293788.53661895 Hartree integrate/restrict (160.44444s) stopped
T12 >> 1462293788.53671408 Atomic (1037.30109s) started
T12 >> 1462293788.53863502 XC Correction (0.01424s) started
T12 << 1462293788.53867292 XC Correction (0.01427s) stopped
T12 << 1462293790.91417193 Atomic (1039.67854s) stopped
T12 >> 1462293790.91428995 Communicate (4581.90803s) started
T12 << 1462293805.83602095 Communicate (4596.82976s) stopped
T12 << 1462293805.83606100 Hamiltonian (20809.42097s) stopped
T12 >> 1462293805.83608699 LCAO eigensolver (29816.87309s) started
T12 >> 1462293805.83610010 Potential matrix (448.40963s) started
T12 << 1462293806.80195689 Potential matrix (449.37549s) stopped
T12 >> 1462293806.80202794 DistributedAtomicCorrection (181.60426s) started
T12 << 1462293807.22647810 DistributedAtomicCorrection (182.02871s) stopped
T12 >> 1462293807.22654510 Distribute overlap matrix (3346.16560s) started
T12 >> 1462293807.22656703 blocked summation (1870.57939s) started
T12 << 1462293811.52506590 blocked summation (1874.87789s) stopped
T12 >> 1462293811.53450894 Scalapack redistribute (1471.02637s) started
T12 << 1462293814.98999190 Scalapack redistribute (1474.48185s) stopped
T12 << 1462293814.99009204 Distribute overlap matrix (3353.92914s) stopped
T12 >> 1462293814.99422097 Blacs Orbital Layouts (25023.48885s) started
T12 >> 1462293815.00275803 General diagonalize (24922.06772s) started
T12 << 1462293868.17112303 General diagonalize (24975.23609s) stopped
T12 >> 1462293868.17117596 Redistribute coefs (3.73561s) started
T12 << 1462293868.17988992 Redistribute coefs (3.74432s) stopped
T12 >> 1462293868.17993903 Send coefs to domains (93.47760s) started
T12 << 1462293868.27765012 Send coefs to domains (93.57531s) stopped
T12 << 1462293868.27816606 Blacs Orbital Layouts (25076.77280s) stopped
T12 >> 1462293868.27819896 Calculate projections (814.93254s) started
T12 << 1462293870.05670309 Calculate projections (816.71105s) stopped
T12 << 1462293870.05694389 LCAO eigensolver (29881.09395s) stopped
T12 >> 1462293873.15134406 Density (7139.18154s) started
T12 >> 1462293873.15135908 Pseudo density (5524.08809s) started
T12 >> 1462293873.15431905 Calculate density matrix (5190.71241s) started
T12 << 1462293885.06637001 Calculate density matrix (5202.62447s) stopped
T12 >> 1462293885.06642509 Construct density (324.60935s) started
T12 << 1462293885.82848811 Construct density (325.37142s) stopped
T12 >> 1462293885.84458208 Symmetrize density (0.03686s) started
T12 << 1462293885.84464693 Symmetrize density (0.03692s) stopped
T12 << 1462293885.84712505 Pseudo density (5536.78385s) stopped
T12 >> 1462293885.84719491 Atomic density matrices (1422.58246s) started
T12 << 1462293889.23864698 Atomic density matrices (1425.97391s) stopped
T12 >> 1462293889.23868489 Multipole moments (4.84842s) started
T12 << 1462293889.25197101 Multipole moments (4.86170s) stopped
T12 >> 1462293889.25200295 Normalize (2.94998s) started
T12 << 1462293889.25960302 Normalize (2.95758s) stopped
T12 >> 1462293889.25964904 Mix (184.67900s) started
T12 << 1462293889.72457910 Mix (185.14393s) stopped
T12 << 1462293889.72463799 Density (7155.75483s) stopped
T12 >> 1462293889.72466707 Hamiltonian (20809.42098s) started
T12 >> 1462293889.72468305 vbar (11.75508s) started
T12 << 1462293889.74949408 vbar (11.77989s) stopped
T12 >> 1462293889.74966002 XC 3D grid (12323.45772s) started
T12 >> 1462293890.23556209 van der Waals (11905.18668s) started
T12 >> 1462293890.35120797 semilocal (2509.72718s) started
T12 << 1462293896.11371112 semilocal (2515.48969s) stopped
T12 >> 1462293896.18841696 redistribute (1287.39242s) started
T12 << 1462293897.22590089 redistribute (1288.42991s) stopped
T12 >> 1462293897.22596502 libvdwxc nonlocal (8025.06862s) started
T12 << 1462293915.18479705 libvdwxc nonlocal (8043.02745s) stopped
T12 >> 1462293915.18493605 redistribute (1288.42996s) started
T12 << 1462293917.25033903 redistribute (1290.49536s) stopped
T12 << 1462293917.25146699 van der Waals (11932.20258s) stopped
T12 << 1462293917.72160506 XC 3D grid (12351.42967s) stopped
T12 >> 1462293917.72165203 Poisson (2677.07439s) started
T12 << 1462293920.62379193 Poisson (2679.97653s) stopped
T12 >> 1462293920.62387609 Hartree integrate/restrict (160.44448s) started
T12 << 1462293920.66147590 Hartree integrate/restrict (160.48208s) stopped
T12 >> 1462293920.66157103 Hartree integrate/restrict (160.48214s) started
T12 << 1462293920.98876190 Hartree integrate/restrict (160.80933s) stopped
T12 >> 1462293920.98884392 Atomic (1039.67857s) started
T12 >> 1462293920.99063706 XC Correction (0.01429s) started
T12 << 1462293920.99065900 XC Correction (0.01431s) stopped
T12 << 1462293923.37006903 Atomic (1042.05980s) stopped
T12 >> 1462293923.37018704 Communicate (4596.82979s) started
T12 << 1462293938.27815390 Communicate (4611.73775s) stopped
T12 << 1462293938.27819490 Hamiltonian (20857.97451s) stopped
T12 >> 1462293938.27822208 LCAO eigensolver (29881.09397s) started
T12 >> 1462293938.27823496 Potential matrix (449.37553s) started
T12 << 1462293939.23896289 Potential matrix (450.33626s) stopped
T12 >> 1462293939.23905492 DistributedAtomicCorrection (182.02875s) started
T12 << 1462293939.66106296 DistributedAtomicCorrection (182.45075s) stopped
T12 >> 1462293939.66113210 Distribute overlap matrix (3353.92916s) started
T12 >> 1462293939.66115689 blocked summation (1874.87792s) started
T12 << 1462293943.97838593 blocked summation (1879.19515s) stopped
T12 >> 1462293943.98842597 Scalapack redistribute (1474.48191s) started
T12 << 1462293947.40284491 Scalapack redistribute (1477.89633s) stopped
T12 << 1462293947.40292501 Distribute overlap matrix (3361.67095s) stopped
T12 >> 1462293947.40754890 Blacs Orbital Layouts (25076.77282s) started
T12 >> 1462293947.41664195 General diagonalize (24975.23613s) started
T12 << 1462294000.05611300 General diagonalize (25027.87560s) stopped
T12 >> 1462294000.05615902 Redistribute coefs (3.74436s) started
T12 << 1462294000.06373501 Redistribute coefs (3.75194s) stopped
T12 >> 1462294000.06378508 Send coefs to domains (93.57535s) started
T12 << 1462294000.54763699 Send coefs to domains (94.05920s) stopped
T12 << 1462294000.54812789 Blacs Orbital Layouts (25129.91340s) stopped
T12 >> 1462294000.54815602 Calculate projections (816.71110s) started
T12 << 1462294002.31619406 Calculate projections (818.47914s) stopped
T12 << 1462294002.31667209 LCAO eigensolver (29945.13242s) stopped
T12 << 1462294005.42751002 SCF-cycle (59446.59122s) stopped
T12 >> 1462294007.51072097 Force calculation (2506.33979s) started
T12 >> 1462294007.51079702 LCAO forces (2479.06026s) started
T12 >> 1462294007.51116490 Initial (0.00073s) started
T12 << 1462294007.51117611 Initial (0.00074s) stopped
T12 >> 1462294007.51744699 Get density matrix (1304.80767s) started
T12 << 1462294016.67746210 Get density matrix (1313.96769s) stopped
T12 >> 1462294016.67750597 Potential (196.62108s) started
T12 << 1462294022.69498396 Potential (202.63855s) stopped
T12 >> 1462294022.69503689 Get density matrix (1313.96772s) started
T12 << 1462294053.74942708 Get density matrix (1345.02211s) stopped
T12 >> 1462294053.74948812 Prepare TCI loop (68.71193s) started
T12 >> 1462294053.74999094 Get neighbors (62.23625s) started
T12 << 1462294055.59767199 Get neighbors (64.08393s) stopped
T12 >> 1462294055.59801698 broadcast dH (6.43961s) started
T12 << 1462294055.92478108 broadcast dH (6.76637s) stopped
T12 << 1462294055.92482591 Prepare TCI loop (70.88726s) stopped
T12 >> 1462294055.92484498 Not so complicated loop (3.81847s) started
T12 << 1462294056.03957510 Not so complicated loop (3.93320s) stopped
T12 >> 1462294056.15204191 Complicated loop (590.89734s) started
T12 << 1462294074.84706092 Complicated loop (609.59236s) stopped
T12 >> 1462294074.84883094 Wait for sum (310.09140s) started
T12 << 1462294084.65793490 Wait for sum (319.90050s) stopped
T12 << 1462294084.65796900 LCAO forces (2556.20744s) stopped
T12 << 1462294085.47485590 Force calculation (2584.30393s) stopped
T12 >> 1462294085.49266505 Initialization (4131.75058s) started
T12 << 1462294085.49283910 Initialization (4131.75075s) stopped
T12 >> 1462294085.49306011 Initialization (4131.75077s) started
T12 << 1462294085.49319410 Initialization (4131.75090s) stopped
T12 >> 1462294085.49333096 Initialization (4131.75092s) started
T12 << 1462294085.49346209 Initialization (4131.75105s) stopped
T12 >> 1462294105.77902699 Initialization (4131.75107s) started
T12 >> 1462294105.88339591 Basic WFS set positions (2.89211s) started
T12 >> 1462294105.88341999 Redistribute (0.01164s) started
T12 << 1462294105.88355494 Redistribute (0.01177s) stopped
T12 << 1462294105.97447896 Basic WFS set positions (2.98319s) stopped
T12 >> 1462294105.97450399 Basis functions set positions (59.54796s) started
T12 << 1462294107.82954001 Basis functions set positions (61.40300s) stopped
T12 >> 1462294107.83047700 TCI: Calculate S, T, P (499.08867s) started
T12 << 1462294123.23392105 TCI: Calculate S, T, P (514.49211s) stopped
T12 >> 1462294123.23397994 blocked summation (715.47006s) started
T12 << 1462294148.34301901 blocked summation (740.57910s) stopped
T12 >> 1462294148.35270500 Scalapack redistribute (285.07653s) started
T12 << 1462294158.47285390 Scalapack redistribute (295.19668s) stopped
T12 >> 1462294158.47390199 blocked summation (740.57913s) started
T12 << 1462294159.39871097 blocked summation (741.50394s) stopped
T12 >> 1462294159.40827394 Scalapack redistribute (295.19674s) started
T12 << 1462294159.78662705 Scalapack redistribute (295.57509s) stopped
T12 >> 1462294159.78832793 Redistribute (0.09048s) started
T12 << 1462294159.78885198 Redistribute (0.09100s) stopped
T12 >> 1462294161.49614096 Redistribute (0.09102s) started
T12 << 1462294161.49659491 Redistribute (0.09147s) stopped
T12 >> 1462294161.51272988 LCAO WFS Initialize (2503.02270s) started
T12 >> 1462294161.51276493 Density initialize from wavefunctions (469.68467s) started
T12 >> 1462294161.52025509 Calculate density matrix (325.83256s) started
T12 << 1462294172.52905798 Calculate density matrix (336.84136s) stopped
T12 >> 1462294172.52910590 Construct density (24.63831s) started
T12 << 1462294173.29160094 Construct density (25.40080s) stopped
T12 >> 1462294173.30602002 Symmetrize density (0.00264s) started
T12 << 1462294173.30608606 Symmetrize density (0.00271s) stopped
T12 << 1462294176.99740410 Density initialize from wavefunctions (485.16931s) stopped
T12 >> 1462294176.99767590 Hamiltonian (2032.41483s) started
T12 >> 1462294176.99769402 vbar (0.94410s) started
T12 << 1462294177.02390909 vbar (0.97032s) stopped
T12 >> 1462294177.02405310 XC 3D grid (974.68057s) started
T12 >> 1462294177.51199007 van der Waals (941.79399s) started
T12 >> 1462294177.62223005 semilocal (197.01239s) started
T12 << 1462294183.43755603 semilocal (202.82772s) stopped
T12 >> 1462294183.51450300 redistribute (111.18511s) started
T12 << 1462294184.47581601 redistribute (112.14642s) stopped
T12 >> 1462294184.47589588 libvdwxc nonlocal (627.10298s) started
T12 << 1462294202.93198800 libvdwxc nonlocal (645.55907s) stopped
T12 >> 1462294202.93203712 redistribute (112.14648s) started
T12 << 1462294204.75173306 redistribute (113.96617s) stopped
T12 << 1462294204.75281310 van der Waals (969.03481s) stopped
T12 << 1462294205.21358204 XC 3D grid (1002.87010s) stopped
T12 >> 1462294205.21362209 Poisson (521.69539s) started
T12 << 1462294221.45630693 Poisson (537.93807s) stopped
T12 >> 1462294221.45639801 Hartree integrate/restrict (12.57798s) started
T12 << 1462294221.50427699 Hartree integrate/restrict (12.62586s) stopped
T12 >> 1462294221.50435710 Hartree integrate/restrict (12.62592s) started
T12 << 1462294221.81461596 Hartree integrate/restrict (12.93618s) stopped
T12 >> 1462294221.81471300 Atomic (80.32725s) started
T12 >> 1462294221.81691599 XC Correction (0.00131s) started
T12 << 1462294221.81694603 XC Correction (0.00134s) stopped
T12 << 1462294224.20287991 Atomic (82.71542s) stopped
T12 >> 1462294224.20304394 Communicate (442.14957s) started
T12 << 1462294241.22555590 Communicate (459.17208s) stopped
T12 << 1462294241.22558904 Hamiltonian (2096.64275s) stopped
T12 << 1462294241.22560310 LCAO WFS Initialize (2582.73557s) stopped
T12 << 1462294241.23767304 Initialization (4267.20971s) stopped
T12 >> 1462294241.26355290 SCF-cycle (59446.59124s) started
T12 >> 1462294241.26358891 LCAO eigensolver (29945.13244s) started
T12 >> 1462294241.26360106 Potential matrix (450.33631s) started
T12 << 1462294242.22632194 Potential matrix (451.29903s) stopped
T12 >> 1462294242.22640800 DistributedAtomicCorrection (182.45079s) started
T12 << 1462294242.63741589 DistributedAtomicCorrection (182.86180s) stopped
T12 >> 1462294242.63746309 Distribute overlap matrix (3361.67096s) started
T12 >> 1462294242.63749409 blocked summation (1879.19521s) started
T12 << 1462294246.99895597 blocked summation (1883.55667s) stopped
T12 >> 1462294247.00887990 Scalapack redistribute (1477.89637s) started
T12 << 1462294250.39601398 Scalapack redistribute (1481.28350s) stopped
T12 << 1462294250.39613390 Distribute overlap matrix (3369.42963s) stopped
T12 >> 1462294250.40057111 Blacs Orbital Layouts (25129.91341s) started
T12 >> 1462294250.40970802 General diagonalize (25027.87564s) started
T12 << 1462294306.16873908 General diagonalize (25083.63467s) stopped
T12 >> 1462294306.16880894 Redistribute coefs (3.75197s) started
T12 << 1462294306.17756104 Redistribute coefs (3.76072s) stopped
T12 >> 1462294306.17760301 Send coefs to domains (94.05924s) started
T12 << 1462294306.29792404 Send coefs to domains (94.17956s) stopped
T12 << 1462294306.29853201 Blacs Orbital Layouts (25185.81137s) stopped
T12 >> 1462294306.29855990 Calculate projections (818.47919s) started
T12 << 1462294308.06187201 Calculate projections (820.24250s) stopped
T12 << 1462294308.06206608 LCAO eigensolver (30011.93092s) stopped
T12 >> 1462294311.17723107 Density (7155.75485s) started
T12 >> 1462294311.17724705 Pseudo density (5536.78391s) started
T12 >> 1462294311.18012094 Calculate density matrix (5202.62450s) started
T12 << 1462294323.41223192 Calculate density matrix (5214.85661s) stopped
T12 >> 1462294323.41228008 Construct density (325.37147s) started
T12 << 1462294324.17352509 Construct density (326.13272s) stopped
T12 >> 1462294324.18754101 Symmetrize density (0.03694s) started
T12 << 1462294324.18760610 Symmetrize density (0.03700s) stopped
T12 << 1462294324.18964505 Pseudo density (5549.79631s) stopped
T12 >> 1462294324.18970490 Atomic density matrices (1425.97394s) started
T12 << 1462294327.66568089 Atomic density matrices (1429.44992s) stopped
T12 >> 1462294327.66571307 Multipole moments (4.86172s) started
T12 << 1462294327.67912006 Multipole moments (4.87512s) stopped
T12 >> 1462294327.67914391 Normalize (2.95761s) started
T12 << 1462294327.68525696 Normalize (2.96372s) stopped
T12 >> 1462294327.68531895 Mix (185.14398s) started
T12 << 1462294328.04036808 Mix (185.49903s) stopped
T12 << 1462294328.04048204 Density (7172.61810s) stopped
T12 >> 1462294328.04052591 Hamiltonian (20857.97453s) started
T12 >> 1462294328.04054594 vbar (11.77998s) started
T12 << 1462294328.06865191 vbar (11.80809s) stopped
T12 >> 1462294328.06875801 XC 3D grid (12351.42970s) started
T12 >> 1462294328.58312702 van der Waals (11932.20260s) started
T12 >> 1462294328.69236898 semilocal (2515.48979s) started
T12 << 1462294334.30964899 semilocal (2521.10707s) stopped
T12 >> 1462294334.40024400 redistribute (1290.49543s) started
T12 << 1462294335.53857708 redistribute (1291.63377s) stopped
T12 >> 1462294335.53862095 libvdwxc nonlocal (8043.02757s) started
T12 << 1462294353.94176698 libvdwxc nonlocal (8061.43071s) stopped
T12 >> 1462294353.94185209 redistribute (1291.63380s) started
T12 << 1462294355.66858101 redistribute (1293.36053s) stopped
T12 << 1462294355.66982794 van der Waals (11959.28930s) stopped
T12 << 1462294356.13792896 XC 3D grid (12379.49887s) stopped
T12 >> 1462294356.13797212 Poisson (2679.97659s) started
T12 << 1462294361.98494196 Poisson (2685.82356s) stopped
T12 >> 1462294361.98503304 Hartree integrate/restrict (160.80937s) started
T12 << 1462294362.02880812 Hartree integrate/restrict (160.85315s) stopped
T12 >> 1462294362.02891397 Hartree integrate/restrict (160.85322s) started
T12 << 1462294362.41032195 Hartree integrate/restrict (161.23463s) stopped
T12 >> 1462294362.41041708 Atomic (1042.05982s) started
T12 >> 1462294362.41239810 XC Correction (0.01432s) started
T12 << 1462294362.41241598 XC Correction (0.01434s) stopped
T12 << 1462294364.81436706 Atomic (1044.46377s) stopped
T12 >> 1462294364.81453800 Communicate (4611.73778s) started
T12 << 1462294381.84055996 Communicate (4628.76380s) stopped
T12 << 1462294381.84059095 Hamiltonian (20911.77459s) stopped
T12 >> 1462294381.84061503 LCAO eigensolver (30011.93093s) started
T12 >> 1462294381.84062791 Potential matrix (451.29908s) started
T12 << 1462294382.80809808 Potential matrix (452.26655s) stopped
T12 >> 1462294382.80818200 DistributedAtomicCorrection (182.86184s) started
T12 << 1462294383.21948504 DistributedAtomicCorrection (183.27314s) stopped
T12 >> 1462294383.21953106 Distribute overlap matrix (3369.42965s) started
T12 >> 1462294383.21956110 blocked summation (1883.55670s) started
T12 << 1462294387.60550809 blocked summation (1887.94265s) stopped
T12 >> 1462294387.61520600 Scalapack redistribute (1481.28357s) started
T12 << 1462294391.15629005 Scalapack redistribute (1484.82465s) stopped
T12 << 1462294391.15638709 Distribute overlap matrix (3377.36650s) stopped
T12 >> 1462294391.16050792 Blacs Orbital Layouts (25185.81139s) started
T12 >> 1462294391.16931200 General diagonalize (25083.63473s) started
T12 << 1462294444.25651312 General diagonalize (25136.72193s) stopped
T12 >> 1462294444.25659299 Redistribute coefs (3.76076s) started
T12 << 1462294444.26595306 Redistribute coefs (3.77012s) stopped
T12 >> 1462294444.26600409 Send coefs to domains (94.17959s) started
T12 << 1462294444.39789701 Send coefs to domains (94.31148s) stopped
T12 << 1462294444.39852905 Blacs Orbital Layouts (25239.04942s) stopped
T12 >> 1462294444.39856005 Calculate projections (820.24254s) started
T12 << 1462294446.17834902 Calculate projections (822.02233s) stopped
T12 << 1462294446.17887807 LCAO eigensolver (30076.26920s) stopped
T12 >> 1462294449.28955293 Density (7172.61811s) started
T12 >> 1462294449.28957009 Pseudo density (5549.79635s) started
T12 >> 1462294449.29286599 Calculate density matrix (5214.85665s) started
T12 << 1462294461.23662901 Calculate density matrix (5226.80041s) stopped
T12 >> 1462294461.23668599 Construct density (326.13277s) started
T12 << 1462294462.00149703 Construct density (326.89758s) stopped
T12 >> 1462294462.01786208 Symmetrize density (0.03702s) started
T12 << 1462294462.01794004 Symmetrize density (0.03710s) stopped
T12 << 1462294462.02045894 Pseudo density (5562.52724s) stopped
T12 >> 1462294462.02052808 Atomic density matrices (1429.44994s) started
T12 << 1462294465.46119690 Atomic density matrices (1432.89061s) stopped
T12 >> 1462294465.46123290 Multipole moments (4.87514s) started
T12 << 1462294465.47469592 Multipole moments (4.88860s) stopped
T12 >> 1462294465.47472000 Normalize (2.96377s) started
T12 << 1462294465.48155403 Normalize (2.97060s) stopped
T12 >> 1462294465.48160195 Mix (185.49914s) started
T12 << 1462294465.83598304 Mix (185.85352s) stopped
T12 << 1462294465.83605194 Density (7189.16461s) stopped
T12 >> 1462294465.83608103 Hamiltonian (20911.77461s) started
T12 >> 1462294465.83609796 vbar (11.80815s) started
T12 << 1462294465.86023092 vbar (11.83228s) stopped
T12 >> 1462294465.86032391 XC 3D grid (12379.49891s) started
T12 >> 1462294466.38934898 van der Waals (11959.28934s) started
T12 >> 1462294466.50592208 semilocal (2521.10718s) started
T12 << 1462294472.34114194 semilocal (2526.94240s) stopped
T12 >> 1462294472.41612506 redistribute (1293.36058s) started
T12 << 1462294473.35876703 redistribute (1294.30322s) stopped
T12 >> 1462294473.35882092 libvdwxc nonlocal (8061.43078s) started
T12 << 1462294491.29329205 libvdwxc nonlocal (8079.36525s) stopped
T12 >> 1462294491.29337811 redistribute (1294.30326s) started
T12 << 1462294493.25718689 redistribute (1296.26707s) stopped
T12 << 1462294493.25841093 van der Waals (11986.15840s) stopped
T12 << 1462294493.71866894 XC 3D grid (12407.35725s) stopped
T12 >> 1462294493.71872211 Poisson (2685.82363s) started
T12 << 1462294505.09779501 Poisson (2697.20271s) stopped
T12 >> 1462294505.09787107 Hartree integrate/restrict (161.23468s) started
T12 << 1462294505.13604903 Hartree integrate/restrict (161.27286s) stopped
T12 >> 1462294505.13612700 Hartree integrate/restrict (161.27290s) started
T12 << 1462294505.45462394 Hartree integrate/restrict (161.59140s) stopped
T12 >> 1462294505.45474100 Atomic (1044.46379s) started
T12 >> 1462294505.45665002 XC Correction (0.01435s) started
T12 << 1462294505.45666504 XC Correction (0.01437s) stopped
T12 << 1462294507.87498593 Atomic (1046.88404s) stopped
T12 >> 1462294507.87518001 Communicate (4628.76382s) started
T12 << 1462294524.90512896 Communicate (4645.79377s) stopped
T12 << 1462294524.90517306 Hamiltonian (20970.84370s) stopped
T12 >> 1462294524.90520096 LCAO eigensolver (30076.26922s) started
T12 >> 1462294524.90521407 Potential matrix (452.26660s) started
T12 << 1462294525.87755609 Potential matrix (453.23894s) stopped
T12 >> 1462294525.87764812 DistributedAtomicCorrection (183.27318s) started
T12 << 1462294526.30127096 DistributedAtomicCorrection (183.69680s) stopped
T12 >> 1462294526.30131888 Distribute overlap matrix (3377.36652s) started
T12 >> 1462294526.30135298 blocked summation (1887.94268s) started
T12 << 1462294530.62844396 blocked summation (1892.26977s) stopped
T12 >> 1462294530.63837695 Scalapack redistribute (1484.82470s) started
T12 << 1462294534.20880389 Scalapack redistribute (1488.39513s) stopped
T12 << 1462294534.20889306 Distribute overlap matrix (3385.27409s) stopped
T12 >> 1462294534.21394610 Blacs Orbital Layouts (25239.04944s) started
T12 >> 1462294534.22274303 General diagonalize (25136.72199s) started
T12 << 1462294586.75208712 General diagonalize (25189.25134s) stopped
T12 >> 1462294586.75214005 Redistribute coefs (3.77016s) started
T12 << 1462294586.76058102 Redistribute coefs (3.77860s) stopped
T12 >> 1462294586.76064396 Send coefs to domains (94.31152s) started
T12 << 1462294586.85788488 Send coefs to domains (94.40876s) stopped
T12 << 1462294586.85829711 Blacs Orbital Layouts (25291.69379s) stopped
T12 >> 1462294586.85832691 Calculate projections (822.02239s) started
T12 << 1462294588.63866305 Calculate projections (823.80273s) stopped
T12 << 1462294588.63906598 LCAO eigensolver (30140.00308s) stopped
T12 >> 1462294591.74267292 Density (7189.16463s) started
T12 >> 1462294591.74268889 Pseudo density (5562.52730s) started
T12 >> 1462294591.74556494 Calculate density matrix (5226.80045s) started
T12 << 1462294603.67534804 Calculate density matrix (5238.73023s) stopped
T12 >> 1462294603.67540407 Construct density (326.89764s) started
T12 << 1462294604.43953109 Construct density (327.66177s) stopped
T12 >> 1462294604.45666409 Symmetrize density (0.03712s) started
T12 << 1462294604.45674491 Symmetrize density (0.03720s) stopped
T12 << 1462294604.45923805 Pseudo density (5575.24385s) stopped
T12 >> 1462294604.45930910 Atomic density matrices (1432.89064s) started
T12 << 1462294607.88710499 Atomic density matrices (1436.31843s) stopped
T12 >> 1462294607.88714099 Multipole moments (4.88862s) started
T12 << 1462294607.89993095 Multipole moments (4.90141s) stopped
T12 >> 1462294607.89995599 Normalize (2.97063s) started
T12 << 1462294607.90645599 Normalize (2.97713s) stopped
T12 >> 1462294607.90650201 Mix (185.85359s) started
T12 << 1462294608.30220795 Mix (186.24930s) stopped
T12 << 1462294608.30229807 Density (7205.72425s) stopped
T12 >> 1462294608.30233192 Hamiltonian (20970.84371s) started
T12 >> 1462294608.30235004 vbar (11.83234s) started
T12 << 1462294608.33766103 vbar (11.86765s) stopped
T12 >> 1462294608.33775997 XC 3D grid (12407.35729s) started
T12 >> 1462294608.80470800 van der Waals (11986.15843s) started
T12 >> 1462294608.91826391 semilocal (2526.94247s) started
T12 << 1462294614.74438906 semilocal (2532.76859s) stopped
T12 >> 1462294614.81828094 redistribute (1296.26717s) started
T12 << 1462294615.76215196 redistribute (1297.21104s) stopped
T12 >> 1462294615.76220298 libvdwxc nonlocal (8079.36532s) started
T12 << 1462294633.77736497 libvdwxc nonlocal (8097.38048s) stopped
T12 >> 1462294633.77744293 redistribute (1297.21108s) started
T12 << 1462294635.87217093 redistribute (1299.30580s) stopped
T12 << 1462294635.87323594 van der Waals (12013.22696s) stopped
T12 << 1462294636.33697104 XC 3D grid (12435.35650s) stopped
T12 >> 1462294636.33702803 Poisson (2697.20276s) started
T12 << 1462294646.52569890 Poisson (2707.39143s) stopped
T12 >> 1462294646.52577591 Hartree integrate/restrict (161.59146s) started
T12 << 1462294646.56626201 Hartree integrate/restrict (161.63195s) stopped
T12 >> 1462294646.56637812 Hartree integrate/restrict (161.63203s) started
T12 << 1462294646.90513802 Hartree integrate/restrict (161.97079s) stopped
T12 >> 1462294646.90525794 Atomic (1046.88407s) started
T12 >> 1462294646.90719700 XC Correction (0.01438s) started
T12 << 1462294646.90722609 XC Correction (0.01441s) stopped
T12 << 1462294649.31935096 Atomic (1049.29816s) stopped
T12 >> 1462294649.31954002 Communicate (4645.79380s) started
T12 << 1462294665.92762589 Communicate (4662.40189s) stopped
T12 << 1462294665.92766905 Hamiltonian (21028.46905s) stopped
T12 >> 1462294665.92769790 LCAO eigensolver (30140.00310s) started
T12 >> 1462294665.92771196 Potential matrix (453.23899s) started
T12 << 1462294666.90252399 Potential matrix (454.21381s) stopped
T12 >> 1462294666.90262198 DistributedAtomicCorrection (183.69684s) started
T12 << 1462294667.32957697 DistributedAtomicCorrection (184.12380s) stopped
T12 >> 1462294667.32962394 Distribute overlap matrix (3385.27410s) started
T12 >> 1462294667.32965899 blocked summation (1892.26980s) started
T12 << 1462294671.66711307 blocked summation (1896.60726s) stopped
T12 >> 1462294671.67606592 Scalapack redistribute (1488.39517s) started
T12 << 1462294675.25937510 Scalapack redistribute (1491.97848s) stopped
T12 << 1462294675.25946093 Distribute overlap matrix (3393.20394s) stopped
T12 >> 1462294675.26449299 Blacs Orbital Layouts (25291.69381s) started
T12 >> 1462294675.27328801 General diagonalize (25189.25138s) started
T12 << 1462294730.82745910 General diagonalize (25244.80555s) stopped
T12 >> 1462294730.82754207 Redistribute coefs (3.77865s) started
T12 << 1462294730.83682108 Redistribute coefs (3.78793s) stopped
T12 >> 1462294730.83687401 Send coefs to domains (94.40880s) started
T12 << 1462294730.95783091 Send coefs to domains (94.52976s) stopped
T12 << 1462294730.95836711 Blacs Orbital Layouts (25347.38768s) stopped
T12 >> 1462294730.95839810 Calculate projections (823.80279s) started
T12 << 1462294732.73849297 Calculate projections (825.58288s) stopped
T12 << 1462294732.73869705 LCAO eigensolver (30206.81410s) stopped
T12 >> 1462294735.83915401 Density (7205.72427s) started
T12 >> 1462294735.83916998 Pseudo density (5575.24390s) started
T12 >> 1462294735.84219599 Calculate density matrix (5238.73027s) started
T12 << 1462294748.59693098 Calculate density matrix (5251.48501s) stopped
T12 >> 1462294748.59698606 Construct density (327.66182s) started
T12 << 1462294749.36300492 Construct density (328.42784s) stopped
T12 >> 1462294749.37961507 Symmetrize density (0.03722s) started
T12 << 1462294749.37969303 Symmetrize density (0.03730s) stopped
T12 << 1462294749.38217902 Pseudo density (5588.78691s) stopped
T12 >> 1462294749.38224912 Atomic density matrices (1436.31846s) started
T12 << 1462294752.78191590 Atomic density matrices (1439.71813s) stopped
T12 >> 1462294752.78195500 Multipole moments (4.90143s) started
T12 << 1462294752.79532790 Multipole moments (4.91480s) stopped
T12 >> 1462294752.79536200 Normalize (2.97717s) started
T12 << 1462294752.80223799 Normalize (2.98404s) stopped
T12 >> 1462294752.80228496 Mix (186.24939s) started
T12 << 1462294753.20058608 Mix (186.64769s) stopped
T12 << 1462294753.20064592 Density (7223.08576s) stopped
T12 >> 1462294753.20067501 Hamiltonian (21028.46906s) started
T12 >> 1462294753.20068908 vbar (11.86770s) started
T12 << 1462294753.22301102 vbar (11.89002s) stopped
T12 >> 1462294753.22311306 XC 3D grid (12435.35655s) started
T12 >> 1462294753.74251008 van der Waals (12013.22698s) started
T12 >> 1462294753.85755706 semilocal (2532.76868s) started
T12 << 1462294759.66680288 semilocal (2538.57793s) stopped
T12 >> 1462294759.74129295 redistribute (1299.30586s) started
T12 << 1462294760.71908808 redistribute (1300.28366s) stopped
T12 >> 1462294760.71913791 libvdwxc nonlocal (8097.38054s) started
T12 << 1462294778.68478394 libvdwxc nonlocal (8115.34618s) stopped
T12 >> 1462294778.68488908 redistribute (1300.28370s) started
T12 << 1462294780.65298796 redistribute (1302.25180s) stopped
T12 << 1462294780.65387893 van der Waals (12040.13835s) stopped
T12 << 1462294781.11811090 XC 3D grid (12463.25155s) stopped
T12 >> 1462294781.11816812 Poisson (2707.39149s) started
T12 << 1462294786.84465790 Poisson (2713.11798s) stopped
T12 >> 1462294786.84473300 Hartree integrate/restrict (161.97085s) started
T12 << 1462294786.88255310 Hartree integrate/restrict (162.00867s) stopped
T12 >> 1462294786.88263512 Hartree integrate/restrict (162.00872s) started
T12 << 1462294787.23317695 Hartree integrate/restrict (162.35926s) stopped
T12 >> 1462294787.23328090 Atomic (1049.29819s) started
T12 >> 1462294787.23515606 XC Correction (0.01442s) started
T12 << 1462294787.23517108 XC Correction (0.01444s) stopped
T12 << 1462294789.65096593 Atomic (1051.71587s) stopped
T12 >> 1462294789.65115595 Communicate (4662.40192s) started
T12 << 1462294805.34219599 Communicate (4678.09296s) stopped
T12 << 1462294805.34223700 Hamiltonian (21080.61063s) stopped
T12 >> 1462294805.34226489 LCAO eigensolver (30206.81412s) started
T12 >> 1462294805.34227896 Potential matrix (454.21386s) started
T12 << 1462294806.32167292 Potential matrix (455.19325s) stopped
T12 >> 1462294806.32176995 DistributedAtomicCorrection (184.12384s) started
T12 << 1462294806.75371289 DistributedAtomicCorrection (184.55578s) stopped
T12 >> 1462294806.75376010 Distribute overlap matrix (3393.20395s) started
T12 >> 1462294806.75379992 blocked summation (1896.60729s) started
T12 << 1462294811.08625603 blocked summation (1900.93975s) stopped
T12 >> 1462294811.09548998 Scalapack redistribute (1491.97852s) started
T12 << 1462294814.60820699 Scalapack redistribute (1495.49124s) stopped
T12 << 1462294814.60831189 Distribute overlap matrix (3401.05851s) stopped
T12 >> 1462294814.61289191 Blacs Orbital Layouts (25347.38770s) started
T12 >> 1462294814.62154102 General diagonalize (25244.80562s) started
T12 << 1462294868.15282702 General diagonalize (25298.33691s) stopped
T12 >> 1462294868.15288401 Redistribute coefs (3.78797s) started
T12 << 1462294868.16143394 Redistribute coefs (3.79652s) stopped
T12 >> 1462294868.16148400 Send coefs to domains (94.52980s) started
T12 << 1462294868.37185693 Send coefs to domains (94.74018s) stopped
T12 << 1462294868.37223506 Blacs Orbital Layouts (25401.14704s) stopped
T12 >> 1462294868.37226701 Calculate projections (825.58294s) started
T12 << 1462294870.15197110 Calculate projections (827.36264s) stopped
T12 << 1462294870.15217209 LCAO eigensolver (30271.62403s) stopped
T12 >> 1462294873.24892497 Density (7223.08578s) started
T12 >> 1462294873.24894094 Pseudo density (5588.78697s) started
T12 >> 1462294873.25265193 Calculate density matrix (5251.48504s) started
T12 << 1462294885.29475403 Calculate density matrix (5263.52715s) stopped
T12 >> 1462294885.29481006 Construct density (328.42790s) started
T12 << 1462294886.06057000 Construct density (329.19366s) stopped
T12 >> 1462294886.07715893 Symmetrize density (0.03732s) started
T12 << 1462294886.07723498 Symmetrize density (0.03739s) stopped
T12 << 1462294886.07971406 Pseudo density (5601.61774s) stopped
T12 >> 1462294886.07978201 Atomic density matrices (1439.71816s) started
T12 << 1462294889.48952603 Atomic density matrices (1443.12791s) stopped
T12 >> 1462294889.48956203 Multipole moments (4.91482s) started
T12 << 1462294889.50232100 Multipole moments (4.92758s) stopped
T12 >> 1462294889.50235200 Normalize (2.98408s) started
T12 << 1462294889.51009011 Normalize (2.99181s) stopped
T12 >> 1462294889.51014209 Mix (186.64775s) started
T12 << 1462294889.94579911 Mix (187.08340s) stopped
T12 << 1462294889.94587588 Density (7239.78273s) stopped
T12 >> 1462294889.94590902 Hamiltonian (21080.61064s) started
T12 >> 1462294889.94592595 vbar (11.89008s) started
T12 << 1462294889.97312307 vbar (11.91728s) stopped
T12 >> 1462294889.97322798 XC 3D grid (12463.25159s) started
T12 >> 1462294890.47316098 van der Waals (12040.13837s) started
T12 >> 1462294890.58560610 semilocal (2538.57799s) started
T12 << 1462294896.28720808 semilocal (2544.27959s) stopped
T12 >> 1462294896.36127305 redistribute (1302.25186s) started
T12 << 1462294897.47239399 redistribute (1303.36298s) stopped
T12 >> 1462294897.47244406 libvdwxc nonlocal (8115.34627s) started
T12 << 1462294915.56234908 libvdwxc nonlocal (8133.43617s) stopped
T12 >> 1462294915.56243300 redistribute (1303.36302s) started
T12 << 1462294917.70963192 redistribute (1305.51022s) stopped
T12 << 1462294917.71049809 van der Waals (12067.37571s) stopped
T12 << 1462294918.17399597 XC 3D grid (12491.45236s) stopped
T12 >> 1462294918.17406297 Poisson (2713.11803s) started
T12 << 1462294924.05948997 Poisson (2719.00346s) stopped
T12 >> 1462294924.05959105 Hartree integrate/restrict (162.35932s) started
T12 << 1462294924.09787297 Hartree integrate/restrict (162.39760s) stopped
T12 >> 1462294924.09797001 Hartree integrate/restrict (162.39766s) started
T12 << 1462294924.41676092 Hartree integrate/restrict (162.71645s) stopped
T12 >> 1462294924.41687393 Atomic (1051.71590s) started
T12 >> 1462294924.41876698 XC Correction (0.01445s) started
T12 << 1462294924.41878200 XC Correction (0.01446s) stopped
T12 << 1462294926.83018303 Atomic (1054.12921s) stopped
T12 >> 1462294926.83035898 Communicate (4678.09298s) started
T12 << 1462294941.96172810 Communicate (4693.22435s) stopped
T12 << 1462294941.96177101 Hamiltonian (21132.62650s) stopped
T12 >> 1462294941.96179891 LCAO eigensolver (30271.62405s) started
T12 >> 1462294941.96181202 Potential matrix (455.19331s) started
T12 << 1462294942.92562795 Potential matrix (456.15712s) stopped
T12 >> 1462294942.92570591 DistributedAtomicCorrection (184.55582s) started
T12 << 1462294943.34739089 DistributedAtomicCorrection (184.97750s) stopped
T12 >> 1462294943.34745312 Distribute overlap matrix (3401.05852s) started
T12 >> 1462294943.34747791 blocked summation (1900.93980s) started
T12 << 1462294947.69393611 blocked summation (1905.28626s) stopped
T12 >> 1462294947.70328593 Scalapack redistribute (1495.49130s) started
T12 << 1462294951.14388490 Scalapack redistribute (1498.93190s) stopped
T12 << 1462294951.14401793 Distribute overlap matrix (3408.85508s) stopped
T12 >> 1462294951.14860296 Blacs Orbital Layouts (25401.14706s) started
T12 >> 1462294951.15737200 General diagonalize (25298.33695s) started
T12 << 1462295007.31623292 General diagonalize (25354.49581s) stopped
T12 >> 1462295007.31631708 Redistribute coefs (3.79656s) started
T12 << 1462295007.32569003 Redistribute coefs (3.80593s) stopped
T12 >> 1462295007.32573795 Send coefs to domains (94.74021s) started
T12 << 1462295007.52165794 Send coefs to domains (94.93613s) stopped
T12 << 1462295007.52203488 Blacs Orbital Layouts (25457.52049s) stopped
T12 >> 1462295007.52206397 Calculate projections (827.36270s) started
T12 << 1462295009.30509806 Calculate projections (829.14573s) stopped
T12 << 1462295009.30531096 LCAO eigensolver (30338.96756s) stopped
T12 >> 1462295012.42107201 Density (7239.78274s) started
T12 >> 1462295012.42108798 Pseudo density (5601.61779s) started
T12 >> 1462295012.42497993 Calculate density matrix (5263.52718s) started
T12 << 1462295024.41537499 Calculate density matrix (5275.51758s) stopped
T12 >> 1462295024.41543102 Construct density (329.19372s) started
T12 << 1462295025.17969108 Construct density (329.95798s) stopped
T12 >> 1462295025.19618607 Symmetrize density (0.03741s) started
T12 << 1462295025.19626093 Symmetrize density (0.03749s) stopped
T12 << 1462295025.19872594 Pseudo density (5614.39543s) stopped
T12 >> 1462295025.19882989 Atomic density matrices (1443.12793s) started
T12 << 1462295028.64236593 Atomic density matrices (1446.57147s) stopped
T12 >> 1462295028.64240408 Multipole moments (4.92759s) started
T12 << 1462295028.65573597 Multipole moments (4.94093s) stopped
T12 >> 1462295028.65576696 Normalize (2.99185s) started
T12 << 1462295028.66348505 Normalize (2.99957s) stopped
T12 >> 1462295028.66353011 Mix (187.08348s) started
T12 << 1462295029.10824609 Mix (187.52819s) stopped
T12 << 1462295029.10827899 Density (7256.46995s) stopped
T12 >> 1462295029.10830402 Hamiltonian (21132.62651s) started
T12 >> 1462295029.10831809 vbar (11.91734s) started
T12 << 1462295029.14019299 vbar (11.94921s) stopped
T12 >> 1462295029.14033794 XC 3D grid (12491.45241s) started
T12 >> 1462295029.61072111 van der Waals (12067.37573s) started
T12 >> 1462295029.72981095 semilocal (2544.27970s) started
T12 << 1462295035.53385997 semilocal (2550.08374s) stopped
T12 >> 1462295035.61019397 redistribute (1305.51028s) started
T12 << 1462295036.58394289 redistribute (1306.48403s) stopped
T12 >> 1462295036.58399391 libvdwxc nonlocal (8133.43624s) started
T12 << 1462295054.51424289 libvdwxc nonlocal (8151.36649s) stopped
T12 >> 1462295054.51432610 redistribute (1306.48407s) started
T12 << 1462295056.51898789 redistribute (1308.48873s) stopped
T12 << 1462295056.52023292 van der Waals (12094.28524s) stopped
T12 << 1462295056.98611999 XC 3D grid (12519.29820s) stopped
T12 >> 1462295056.98616695 Poisson (2719.00354s) started
T12 << 1462295061.36795497 Poisson (2723.38532s) stopped
T12 >> 1462295061.36804700 Hartree integrate/restrict (162.71651s) started
T12 << 1462295061.40710497 Hartree integrate/restrict (162.75556s) stopped
T12 >> 1462295061.40720296 Hartree integrate/restrict (162.75562s) started
T12 << 1462295061.74716210 Hartree integrate/restrict (163.09558s) stopped
T12 >> 1462295061.74727702 Atomic (1054.12923s) started
T12 >> 1462295061.74927402 XC Correction (0.01448s) started
T12 << 1462295061.74930096 XC Correction (0.01450s) stopped
T12 << 1462295064.17136502 Atomic (1056.55332s) stopped
T12 >> 1462295064.17153406 Communicate (4693.22438s) started
T12 << 1462295079.37562895 Communicate (4708.42848s) stopped
T12 << 1462295079.37565708 Hamiltonian (21182.89387s) stopped
T12 >> 1462295079.37567902 LCAO eigensolver (30338.96758s) started
T12 >> 1462295079.37569189 Potential matrix (456.15717s) started
T12 << 1462295080.34075904 Potential matrix (457.12223s) stopped
T12 >> 1462295080.34085798 DistributedAtomicCorrection (184.97754s) started
T12 << 1462295080.76046991 DistributedAtomicCorrection (185.39715s) stopped
T12 >> 1462295080.76053405 Distribute overlap matrix (3408.85510s) started
T12 >> 1462295080.76055789 blocked summation (1905.28630s) started
T12 << 1462295085.13297105 blocked summation (1909.65871s) stopped
T12 >> 1462295085.14337611 Scalapack redistribute (1498.93198s) started
T12 << 1462295088.59128189 Scalapack redistribute (1502.37988s) stopped
T12 << 1462295088.59140110 Distribute overlap matrix (3416.68596s) stopped
T12 >> 1462295088.59576988 Blacs Orbital Layouts (25457.52051s) started
T12 >> 1462295088.60496902 General diagonalize (25354.49589s) started
T12 << 1462295141.69081712 General diagonalize (25407.58173s) stopped
T12 >> 1462295141.69089103 Redistribute coefs (3.80597s) started
T12 << 1462295141.69955802 Redistribute coefs (3.81464s) stopped
T12 >> 1462295141.69961095 Send coefs to domains (94.93617s) started
T12 << 1462295141.81722689 Send coefs to domains (95.05379s) stopped
T12 << 1462295141.81762695 Blacs Orbital Layouts (25510.74237s) stopped
T12 >> 1462295141.81765699 Calculate projections (829.14579s) started
T12 << 1462295143.59595203 Calculate projections (830.92408s) stopped
T12 << 1462295143.59634399 LCAO eigensolver (30403.18824s) stopped
T12 >> 1462295146.69669795 Density (7256.46996s) started
T12 >> 1462295146.69671297 Pseudo density (5614.39552s) started
T12 >> 1462295146.69972110 Calculate density matrix (5275.51762s) started
T12 << 1462295158.74319005 Calculate density matrix (5287.56109s) stopped
T12 >> 1462295158.74324703 Construct density (329.95804s) started
T12 << 1462295159.50658607 Construct density (330.72138s) stopped
T12 >> 1462295159.52286696 Symmetrize density (0.03751s) started
T12 << 1462295159.52294397 Symmetrize density (0.03759s) stopped
T12 << 1462295159.52540588 Pseudo density (5627.22421s) stopped
T12 >> 1462295159.52547407 Atomic density matrices (1446.57150s) started
T12 << 1462295162.92452097 Atomic density matrices (1449.97055s) stopped
T12 >> 1462295162.92455912 Multipole moments (4.94094s) started
T12 << 1462295162.93786407 Multipole moments (4.95425s) stopped
T12 >> 1462295162.93789411 Normalize (2.99960s) started
T12 << 1462295162.94554996 Normalize (3.00726s) stopped
T12 >> 1462295162.94559312 Mix (187.52823s) started
T12 << 1462295163.38619304 Mix (187.96883s) stopped
T12 << 1462295163.38625908 Density (7273.15952s) stopped
T12 >> 1462295163.38628793 Hamiltonian (21182.89388s) started
T12 >> 1462295163.38630509 vbar (11.94929s) started
T12 << 1462295163.41547298 vbar (11.97845s) stopped
T12 >> 1462295163.41567612 XC 3D grid (12519.29824s) started
T12 >> 1462295163.89836907 van der Waals (12094.28528s) started
T12 >> 1462295164.01305604 semilocal (2550.08379s) started
T12 << 1462295169.76366496 semilocal (2555.83440s) stopped
T12 >> 1462295169.84024191 redistribute (1308.48880s) started
T12 << 1462295170.87281489 redistribute (1309.52137s) stopped
T12 >> 1462295170.87286901 libvdwxc nonlocal (8151.36655s) started
T12 << 1462295188.77480793 libvdwxc nonlocal (8169.26849s) stopped
T12 >> 1462295188.77491498 redistribute (1309.52141s) started
T12 << 1462295190.79164505 redistribute (1311.53814s) stopped
T12 << 1462295190.79274893 van der Waals (12121.17966s) stopped
T12 << 1462295191.25495911 XC 3D grid (12547.13752s) stopped
T12 >> 1462295191.25503206 Poisson (2723.38539s) started
T12 << 1462295195.59153199 Poisson (2727.72189s) stopped
T12 >> 1462295195.59160995 Hartree integrate/restrict (163.09564s) started
T12 << 1462295195.63036203 Hartree integrate/restrict (163.13440s) stopped
T12 >> 1462295195.63044500 Hartree integrate/restrict (163.13445s) started
T12 << 1462295195.94912004 Hartree integrate/restrict (163.45312s) stopped
T12 >> 1462295195.94924307 Atomic (1056.55335s) started
T12 >> 1462295195.95124102 XC Correction (0.01452s) started
T12 << 1462295195.95127201 XC Correction (0.01455s) stopped
T12 << 1462295198.36717606 Atomic (1058.97128s) stopped
T12 >> 1462295198.36733389 Communicate (4708.42849s) started
T12 << 1462295213.49865198 Communicate (4723.55981s) stopped
T12 << 1462295213.49868989 Hamiltonian (21233.00628s) stopped
T12 >> 1462295213.49871707 LCAO eigensolver (30403.18826s) started
T12 >> 1462295213.49873090 Potential matrix (457.12229s) started
T12 << 1462295214.47196507 Potential matrix (458.09552s) stopped
T12 >> 1462295214.47206092 DistributedAtomicCorrection (185.39719s) started
T12 << 1462295214.89055300 DistributedAtomicCorrection (185.81568s) stopped
T12 >> 1462295214.89061594 Distribute overlap matrix (3416.68598s) started
T12 >> 1462295214.89064002 blocked summation (1909.65875s) started
T12 << 1462295219.29285693 blocked summation (1914.06096s) stopped
T12 >> 1462295219.30368209 Scalapack redistribute (1502.37995s) started
T12 << 1462295222.73531699 Scalapack redistribute (1505.81159s) stopped
T12 << 1462295222.73540306 Distribute overlap matrix (3424.53076s) stopped
T12 >> 1462295222.74023604 Blacs Orbital Layouts (25510.74239s) started
T12 >> 1462295222.74893498 General diagonalize (25407.58179s) started
T12 << 1462295278.45211005 General diagonalize (25463.28497s) stopped
T12 >> 1462295278.45216298 Redistribute coefs (3.81468s) started
T12 << 1462295278.46117592 Redistribute coefs (3.82369s) stopped
T12 >> 1462295278.46122289 Send coefs to domains (95.05382s) started
T12 << 1462295278.56606698 Send coefs to domains (95.15867s) stopped
T12 << 1462295278.56652999 Blacs Orbital Layouts (25566.56869s) stopped
T12 >> 1462295278.56656098 Calculate projections (830.92414s) started
T12 << 1462295280.34540296 Calculate projections (832.70298s) stopped
T12 << 1462295280.34582806 LCAO eigensolver (30470.03537s) stopped
T12 >> 1462295283.46703601 Density (7273.15954s) started
T12 >> 1462295283.46705198 Pseudo density (5627.22427s) started
T12 >> 1462295283.47027206 Calculate density matrix (5287.56112s) started
T12 << 1462295295.34815001 Calculate density matrix (5299.43900s) stopped
T12 >> 1462295295.34820604 Construct density (330.72144s) started
T12 << 1462295296.11066699 Construct density (331.48390s) stopped
T12 >> 1462295296.12693191 Symmetrize density (0.03761s) started
T12 << 1462295296.12700605 Symmetrize density (0.03768s) stopped
T12 << 1462295296.12946200 Pseudo density (5639.88668s) stopped
T12 >> 1462295296.12952900 Atomic density matrices (1449.97057s) started
T12 << 1462295299.46581888 Atomic density matrices (1453.30686s) stopped
T12 >> 1462295299.46585608 Multipole moments (4.95426s) started
T12 << 1462295299.47921109 Multipole moments (4.96762s) stopped
T12 >> 1462295299.47924209 Normalize (3.00729s) started
T12 << 1462295299.48699188 Normalize (3.01504s) stopped
T12 >> 1462295299.48703599 Mix (187.96889s) started
T12 << 1462295299.95796990 Mix (188.43982s) stopped
T12 << 1462295299.95803499 Density (7289.65054s) stopped
T12 >> 1462295299.95806408 Hamiltonian (21233.00629s) started
T12 >> 1462295299.95807910 vbar (11.97857s) started
T12 << 1462295299.98775291 vbar (12.00824s) stopped
T12 >> 1462295299.98797894 XC 3D grid (12547.13758s) started
T12 >> 1462295300.46669412 van der Waals (12121.17968s) started
T12 >> 1462295300.58343410 semilocal (2555.83450s) started
T12 << 1462295306.39360309 semilocal (2561.64467s) stopped
T12 >> 1462295306.46946597 redistribute (1311.53820s) started
T12 << 1462295307.42527890 redistribute (1312.49401s) stopped
T12 >> 1462295307.42533112 libvdwxc nonlocal (8169.26858s) started
T12 << 1462295325.24548101 libvdwxc nonlocal (8187.08873s) stopped
T12 >> 1462295325.24556398 redistribute (1312.49406s) started
T12 << 1462295327.31732297 redistribute (1314.56582s) stopped
T12 << 1462295327.31861901 van der Waals (12148.03160s) stopped
T12 << 1462295327.77831292 XC 3D grid (12574.92791s) stopped
T12 >> 1462295327.77836204 Poisson (2727.72195s) started
T12 << 1462295332.09304690 Poisson (2732.03663s) stopped
T12 >> 1462295332.09313798 Hartree integrate/restrict (163.45319s) started
T12 << 1462295332.13132811 Hartree integrate/restrict (163.49138s) stopped
T12 >> 1462295332.13139606 Hartree integrate/restrict (163.49142s) started
T12 << 1462295332.47133088 Hartree integrate/restrict (163.83135s) stopped
T12 >> 1462295332.47141695 Atomic (1058.97130s) started
T12 >> 1462295332.47338700 XC Correction (0.01456s) started
T12 << 1462295332.47341800 XC Correction (0.01459s) stopped
T12 << 1462295334.87814999 Atomic (1061.37804s) stopped
T12 >> 1462295334.87829900 Communicate (4723.55984s) started
T12 << 1462295350.04425192 Communicate (4738.72579s) stopped
T12 << 1462295350.04428697 Hamiltonian (21283.09252s) stopped
T12 >> 1462295350.04431105 LCAO eigensolver (30470.03539s) started
T12 >> 1462295350.04432511 Potential matrix (458.09558s) started
T12 << 1462295351.00970793 Potential matrix (459.06096s) stopped
T12 >> 1462295351.00980592 DistributedAtomicCorrection (185.81572s) started
T12 << 1462295351.42907500 DistributedAtomicCorrection (186.23499s) stopped
T12 >> 1462295351.42913795 Distribute overlap matrix (3424.53078s) started
T12 >> 1462295351.42916298 blocked summation (1914.06100s) started
T12 << 1462295355.82479906 blocked summation (1918.45664s) stopped
T12 >> 1462295355.83431411 Scalapack redistribute (1505.81163s) started
T12 << 1462295359.31458211 Scalapack redistribute (1509.29190s) stopped
T12 << 1462295359.31466889 Distribute overlap matrix (3432.41631s) stopped
T12 >> 1462295359.31959701 Blacs Orbital Layouts (25566.56870s) started
T12 >> 1462295359.32891512 General diagonalize (25463.28501s) started
T12 << 1462295414.39486003 General diagonalize (25518.35096s) stopped
T12 >> 1462295414.39491296 Redistribute coefs (3.82373s) started
T12 << 1462295414.40324807 Redistribute coefs (3.83206s) stopped
T12 >> 1462295414.40330100 Send coefs to domains (95.15871s) started
T12 << 1462295414.73193502 Send coefs to domains (95.48734s) stopped
T12 << 1462295414.73253107 Blacs Orbital Layouts (25621.98164s) stopped
T12 >> 1462295414.73255992 Calculate projections (832.70308s) started
T12 << 1462295416.50285697 Calculate projections (834.47337s) stopped
T12 << 1462295416.50332808 LCAO eigensolver (30536.49441s) stopped
T12 >> 1462295419.63233995 Density (7289.65055s) started
T12 >> 1462295419.63235593 Pseudo density (5639.88673s) started
T12 >> 1462295419.63499689 Calculate density matrix (5299.43904s) started
T12 << 1462295431.54827404 Calculate density matrix (5311.35232s) stopped
T12 >> 1462295431.54832292 Construct density (331.48396s) started
T12 << 1462295432.31438303 Construct density (332.25002s) stopped
T12 >> 1462295432.32865310 Symmetrize density (0.03770s) started
T12 << 1462295432.32872105 Symmetrize density (0.03777s) stopped
T12 << 1462295432.33082104 Pseudo density (5652.58520s) stopped
T12 >> 1462295432.33087993 Atomic density matrices (1453.30689s) started
T12 << 1462295435.66912603 Atomic density matrices (1456.64514s) stopped
T12 >> 1462295435.66915894 Multipole moments (4.96763s) started
T12 << 1462295435.68204689 Multipole moments (4.98052s) stopped
T12 >> 1462295435.68207598 Normalize (3.01507s) started
T12 << 1462295435.68830299 Normalize (3.02130s) stopped
T12 >> 1462295435.68834996 Mix (188.43988s) started
T12 << 1462295436.09821510 Mix (188.84975s) stopped
T12 << 1462295436.09830594 Density (7306.11652s) stopped
T12 >> 1462295436.09834409 Hamiltonian (21283.09253s) started
T12 >> 1462295436.09836006 vbar (12.00836s) started
T12 << 1462295436.12598395 vbar (12.03599s) stopped
T12 >> 1462295436.12608600 XC 3D grid (12574.92795s) started
T12 >> 1462295436.65049791 van der Waals (12148.03163s) started
T12 >> 1462295436.76086402 semilocal (2561.64473s) started
T12 << 1462295442.51588511 semilocal (2567.39975s) stopped
T12 >> 1462295442.59464598 redistribute (1314.56588s) started
T12 << 1462295443.62208700 redistribute (1315.59332s) stopped
T12 >> 1462295443.62212992 libvdwxc nonlocal (8187.08879s) started
T12 << 1462295461.90206409 libvdwxc nonlocal (8205.36872s) stopped
T12 >> 1462295461.90212488 redistribute (1315.59335s) started
T12 << 1462295463.55210209 redistribute (1317.24333s) stopped
T12 << 1462295463.55309892 van der Waals (12174.93423s) stopped
T12 << 1462295464.01731992 XC 3D grid (12602.81918s) stopped
T12 >> 1462295464.01737499 Poisson (2732.03670s) started
T12 << 1462295468.54272795 Poisson (2736.56205s) stopped
T12 >> 1462295468.54284501 Hartree integrate/restrict (163.83139s) started
T12 << 1462295468.59463906 Hartree integrate/restrict (163.88318s) stopped
T12 >> 1462295468.59473109 Hartree integrate/restrict (163.88325s) started
T12 << 1462295468.90587211 Hartree integrate/restrict (164.19439s) stopped
T12 >> 1462295468.90597606 Atomic (1061.37806s) started
T12 >> 1462295468.90777707 XC Correction (0.01461s) started
T12 << 1462295468.90786004 XC Correction (0.01469s) stopped
T12 << 1462295471.32501101 Atomic (1063.79710s) stopped
T12 >> 1462295471.32512903 Communicate (4738.72581s) started
T12 << 1462295486.44094300 Communicate (4753.84163s) stopped
T12 << 1462295486.44098306 Hamiltonian (21333.43517s) stopped
T12 >> 1462295486.44100904 LCAO eigensolver (30536.49443s) started
T12 >> 1462295486.44102311 Potential matrix (459.06101s) started
T12 << 1462295487.41167998 Potential matrix (460.03167s) stopped
T12 >> 1462295487.41175699 DistributedAtomicCorrection (186.23503s) started
T12 << 1462295487.83256698 DistributedAtomicCorrection (186.65584s) stopped
T12 >> 1462295487.83262801 Distribute overlap matrix (3432.41632s) started
T12 >> 1462295487.83264995 blocked summation (1918.45667s) started
T12 << 1462295492.20554590 blocked summation (1922.82957s) stopped
T12 >> 1462295492.21617508 Scalapack redistribute (1509.29194s) started
T12 << 1462295495.55418897 Scalapack redistribute (1512.62995s) stopped
T12 << 1462295495.55429101 Distribute overlap matrix (3440.13799s) stopped
T12 >> 1462295495.55859399 Blacs Orbital Layouts (25621.98166s) started
T12 >> 1462295495.56710196 General diagonalize (25518.35100s) started
T12 << 1462295549.35157704 General diagonalize (25572.13547s) stopped
T12 >> 1462295549.35162902 Redistribute coefs (3.83210s) started
T12 << 1462295549.36120200 Redistribute coefs (3.84168s) stopped
T12 >> 1462295549.36126304 Send coefs to domains (95.48738s) started
T12 << 1462295549.47207308 Send coefs to domains (95.59819s) stopped
T12 << 1462295549.47262692 Blacs Orbital Layouts (25675.89569s) stopped
T12 >> 1462295549.47265601 Calculate projections (834.47343s) started
T12 << 1462295551.25603509 Calculate projections (836.25681s) stopped
T12 << 1462295551.25649500 LCAO eigensolver (30601.30992s) stopped
T12 >> 1462295554.35274291 Density (7306.11654s) started
T12 >> 1462295554.35275793 Pseudo density (5652.58524s) started
T12 >> 1462295554.35593009 Calculate density matrix (5311.35235s) started
T12 << 1462295566.28330803 Calculate density matrix (5323.27973s) stopped
T12 >> 1462295566.28336596 Construct density (332.25007s) started
T12 << 1462295567.05056596 Construct density (333.01727s) stopped
T12 >> 1462295567.06720209 Symmetrize density (0.03779s) started
T12 << 1462295567.06728196 Symmetrize density (0.03786s) stopped
T12 << 1462295567.06977010 Pseudo density (5665.30226s) stopped
T12 >> 1462295567.06984997 Atomic density matrices (1456.64516s) started
T12 << 1462295570.36961007 Atomic density matrices (1459.94492s) stopped
T12 >> 1462295570.36964989 Multipole moments (4.98054s) started
T12 << 1462295570.38291311 Multipole moments (4.99380s) stopped
T12 >> 1462295570.38294411 Normalize (3.02133s) started
T12 << 1462295570.38973999 Normalize (3.02813s) stopped
T12 >> 1462295570.38978195 Mix (188.84984s) started
T12 << 1462295570.85489511 Mix (189.31495s) stopped
T12 << 1462295570.85494995 Density (7322.61874s) stopped
T12 >> 1462295570.85497808 Hamiltonian (21333.43518s) started
T12 >> 1462295570.85499406 vbar (12.03604s) started
T12 << 1462295570.89014292 vbar (12.07119s) stopped
T12 >> 1462295570.89034295 XC 3D grid (12602.81923s) started
T12 >> 1462295571.35371304 van der Waals (12174.93425s) started
T12 >> 1462295571.46982503 semilocal (2567.39987s) started
T12 << 1462295577.29837489 semilocal (2573.22842s) stopped
T12 >> 1462295577.37050509 redistribute (1317.24339s) started
T12 << 1462295578.29484797 redistribute (1318.16773s) stopped
T12 >> 1462295578.29489803 libvdwxc nonlocal (8205.36877s) started
T12 << 1462295596.16969204 libvdwxc nonlocal (8223.24356s) stopped
T12 >> 1462295596.16977406 redistribute (1318.16777s) started
T12 << 1462295598.11095595 redistribute (1320.10895s) stopped
T12 << 1462295598.11178088 van der Waals (12201.69232s) stopped
T12 << 1462295598.57269812 XC 3D grid (12630.50159s) stopped
T12 >> 1462295598.57274795 Poisson (2736.56215s) started
T12 << 1462295602.86061406 Poisson (2740.85001s) stopped
T12 >> 1462295602.86068511 Hartree integrate/restrict (164.19444s) started
T12 << 1462295602.89820695 Hartree integrate/restrict (164.23196s) stopped
T12 >> 1462295602.89829111 Hartree integrate/restrict (164.23202s) started
T12 << 1462295603.21594810 Hartree integrate/restrict (164.54967s) stopped
T12 >> 1462295603.21605992 Atomic (1063.79712s) started
T12 >> 1462295603.21794105 XC Correction (0.01471s) started
T12 << 1462295603.21796298 XC Correction (0.01473s) stopped
T12 << 1462295605.64034390 Atomic (1066.22140s) stopped
T12 >> 1462295605.64047003 Communicate (4753.84165s) started
T12 << 1462295620.73006606 Communicate (4768.93125s) stopped
T12 << 1462295620.73010802 Hamiltonian (21383.31031s) stopped
T12 >> 1462295620.73013496 LCAO eigensolver (30601.30994s) started
T12 >> 1462295620.73014903 Potential matrix (460.03172s) started
T12 << 1462295621.70382094 Potential matrix (461.00539s) stopped
T12 >> 1462295621.70391798 DistributedAtomicCorrection (186.65588s) started
T12 << 1462295622.13826704 DistributedAtomicCorrection (187.09023s) stopped
T12 >> 1462295622.13833189 Distribute overlap matrix (3440.13800s) started
T12 >> 1462295622.13835692 blocked summation (1922.82960s) started
T12 << 1462295626.51057005 blocked summation (1927.20182s) stopped
T12 >> 1462295626.52030993 Scalapack redistribute (1512.63002s) started
T12 << 1462295629.79464793 Scalapack redistribute (1515.90435s) stopped
T12 << 1462295629.79475689 Distribute overlap matrix (3447.79442s) stopped
T12 >> 1462295629.79946208 Blacs Orbital Layouts (25675.89571s) started
T12 >> 1462295629.80824208 General diagonalize (25572.13552s) started
T12 << 1462295683.62045002 General diagonalize (25625.94773s) stopped
T12 >> 1462295683.62050390 Redistribute coefs (3.84172s) started
T12 << 1462295683.62967896 Redistribute coefs (3.85090s) stopped
T12 >> 1462295683.62972593 Send coefs to domains (95.59823s) started
T12 << 1462295683.74805689 Send coefs to domains (95.71656s) stopped
T12 << 1462295683.74854112 Blacs Orbital Layouts (25729.84479s) stopped
T12 >> 1462295683.74857092 Calculate projections (836.25686s) started
T12 << 1462295685.52922797 Calculate projections (838.03752s) stopped
T12 << 1462295685.52961993 LCAO eigensolver (30666.10942s) stopped
T12 >> 1462295688.63022590 Density (7322.61876s) started
T12 >> 1462295688.63024306 Pseudo density (5665.30232s) started
T12 >> 1462295688.63302302 Calculate density matrix (5323.27977s) started
T12 << 1462295700.50528789 Calculate density matrix (5335.15203s) stopped
T12 >> 1462295700.50534511 Construct density (333.01733s) started
T12 << 1462295701.27116108 Construct density (333.78314s) stopped
T12 >> 1462295701.28754091 Symmetrize density (0.03788s) started
T12 << 1462295701.28761911 Symmetrize density (0.03796s) stopped
T12 << 1462295701.29011297 Pseudo density (5677.96219s) stopped
T12 >> 1462295701.29018402 Atomic density matrices (1459.94495s) started
T12 << 1462295704.71562409 Atomic density matrices (1463.37039s) stopped
T12 >> 1462295704.71566510 Multipole moments (4.99382s) started
T12 << 1462295704.72901201 Multipole moments (5.00717s) stopped
T12 >> 1462295704.72904396 Normalize (3.02816s) started
T12 << 1462295704.73559403 Normalize (3.03471s) stopped
T12 >> 1462295704.73563790 Mix (189.31500s) started
T12 << 1462295705.15952611 Mix (189.73889s) stopped
T12 << 1462295705.15959001 Density (7339.14812s) stopped
T12 >> 1462295705.15962005 Hamiltonian (21383.31032s) started
T12 >> 1462295705.15963507 vbar (12.07130s) started
T12 << 1462295705.19804096 vbar (12.10971s) stopped
T12 >> 1462295705.19813704 XC 3D grid (12630.50163s) started
T12 >> 1462295705.65321898 van der Waals (12201.69234s) started
T12 >> 1462295705.76942706 semilocal (2573.22848s) started
T12 << 1462295711.60782099 semilocal (2579.06688s) stopped
T12 >> 1462295711.68273807 redistribute (1320.10901s) started
T12 << 1462295712.63774610 redistribute (1321.06402s) stopped
T12 >> 1462295712.63779902 libvdwxc nonlocal (8223.24363s) started
T12 << 1462295730.67502689 libvdwxc nonlocal (8241.28085s) stopped
T12 >> 1462295730.67511010 redistribute (1321.06406s) started
T12 << 1462295732.75266504 redistribute (1323.14161s) stopped
T12 << 1462295732.75353503 van der Waals (12228.79266s) stopped
T12 << 1462295733.21499109 XC 3D grid (12658.51848s) stopped
T12 >> 1462295733.21503997 Poisson (2740.85006s) started
T12 << 1462295737.56447291 Poisson (2745.19950s) stopped
T12 >> 1462295737.56456804 Hartree integrate/restrict (164.54973s) started
T12 << 1462295737.60336709 Hartree integrate/restrict (164.58853s) stopped
T12 >> 1462295737.60348201 Hartree integrate/restrict (164.58861s) started
T12 << 1462295737.95354390 Hartree integrate/restrict (164.93867s) stopped
T12 >> 1462295737.95364809 Atomic (1066.22143s) started
T12 >> 1462295737.95549011 XC Correction (0.01474s) started
T12 << 1462295737.95550799 XC Correction (0.01476s) stopped
T12 << 1462295740.36613011 Atomic (1068.63391s) stopped
T12 >> 1462295740.36624289 Communicate (4768.93128s) started
T12 << 1462295755.46651506 Communicate (4784.03155s) stopped
T12 << 1462295755.46655512 Hamiltonian (21433.61726s) stopped
T12 >> 1462295755.46658301 LCAO eigensolver (30666.10944s) started
T12 >> 1462295755.46659589 Potential matrix (461.00544s) started
T12 << 1462295756.43998694 Potential matrix (461.97883s) stopped
T12 >> 1462295756.44008088 DistributedAtomicCorrection (187.09027s) started
T12 << 1462295756.87635589 DistributedAtomicCorrection (187.52654s) stopped
T12 >> 1462295756.87642598 Distribute overlap matrix (3447.79444s) started
T12 >> 1462295756.87645102 blocked summation (1927.20185s) started
T12 << 1462295761.32981896 blocked summation (1931.65522s) stopped
T12 >> 1462295761.33977795 Scalapack redistribute (1515.90441s) started
T12 << 1462295764.65443993 Scalapack redistribute (1519.21908s) stopped
T12 << 1462295764.65456700 Distribute overlap matrix (3455.57258s) stopped
T12 >> 1462295764.65967488 Blacs Orbital Layouts (25729.84481s) started
T12 >> 1462295764.66845489 General diagonalize (25625.94777s) started
T12 << 1462295819.52803397 General diagonalize (25680.80735s) stopped
T12 >> 1462295819.52808809 Redistribute coefs (3.85093s) started
T12 << 1462295819.53701091 Redistribute coefs (3.85986s) stopped
T12 >> 1462295819.53706598 Send coefs to domains (95.71660s) started
T12 << 1462295819.63608694 Send coefs to domains (95.81562s) stopped
T12 << 1462295819.63643289 Blacs Orbital Layouts (25784.82157s) stopped
T12 >> 1462295819.63646197 Calculate projections (838.03758s) started
T12 << 1462295821.41928411 Calculate projections (839.82040s) stopped
T12 << 1462295821.41969109 LCAO eigensolver (30732.06255s) stopped
T12 << 1462295824.51553011 SCF-cycle (61029.84321s) stopped
T12 >> 1462295826.62862897 Force calculation (2584.30396s) started
T12 >> 1462295826.62871790 LCAO forces (2556.20745s) started
T12 >> 1462295826.62910700 Initial (0.00075s) started
T12 << 1462295826.62911797 Initial (0.00077s) stopped
T12 >> 1462295826.63571191 Get density matrix (1345.02215s) started
T12 << 1462295835.80051208 Get density matrix (1354.18695s) stopped
T12 >> 1462295835.80055904 Potential (202.63860s) started
T12 << 1462295841.90753293 Potential (208.74557s) stopped
T12 >> 1462295841.90759492 Get density matrix (1354.18699s) started
T12 << 1462295872.91165090 Get density matrix (1385.19104s) stopped
T12 >> 1462295872.91171098 Prepare TCI loop (70.88727s) started
T12 >> 1462295872.91223598 Get neighbors (64.08398s) started
T12 << 1462295874.83599091 Get neighbors (66.00774s) stopped
T12 >> 1462295874.83628988 broadcast dH (6.76640s) started
T12 << 1462295875.05344892 broadcast dH (6.98356s) stopped
T12 << 1462295875.05349207 Prepare TCI loop (73.02906s) stopped
T12 >> 1462295875.05351210 Not so complicated loop (3.93323s) started
T12 << 1462295875.16828895 Not so complicated loop (4.04801s) stopped
T12 >> 1462295875.28193808 Complicated loop (609.59239s) started
T12 << 1462295894.04550600 Complicated loop (628.35596s) stopped
T12 >> 1462295894.04646111 Wait for sum (319.90053s) started
T12 << 1462295904.25616693 Wait for sum (330.11024s) stopped
T12 << 1462295904.25620198 LCAO forces (2633.83493s) stopped
T12 << 1462295905.07225490 Force calculation (2662.74758s) stopped
T12 >> 1462295905.09020305 Initialization (4267.20973s) started
T12 << 1462295905.09037209 Initialization (4267.20990s) stopped
T12 >> 1462295905.09059095 Initialization (4267.20991s) started
T12 << 1462295905.09072495 Initialization (4267.21005s) stopped
T12 >> 1462295905.09086704 Initialization (4267.21006s) started
T12 << 1462295905.09100008 Initialization (4267.21020s) stopped
T12 >> 1462295925.53406310 Initialization (4267.21021s) started
T12 >> 1462295925.57876110 Basic WFS set positions (2.98322s) started
T12 >> 1462295925.57878995 Redistribute (0.01179s) started
T12 << 1462295925.57892489 Redistribute (0.01192s) stopped
T12 << 1462295925.66704798 Basic WFS set positions (3.07150s) stopped
T12 >> 1462295925.66707206 Basis functions set positions (61.40302s) started
T12 << 1462295927.55505300 Basis functions set positions (63.29100s) stopped
T12 >> 1462295927.55549502 TCI: Calculate S, T, P (514.49214s) started
T12 << 1462295942.85426092 TCI: Calculate S, T, P (529.79091s) stopped
T12 >> 1462295942.85431600 blocked summation (741.50399s) started
T12 << 1462295968.67881298 blocked summation (767.32849s) stopped
T12 >> 1462295968.68869305 Scalapack redistribute (295.57514s) started
T12 << 1462295977.60594106 Scalapack redistribute (304.49239s) stopped
T12 >> 1462295977.60703707 blocked summation (767.32855s) started
T12 << 1462295978.59632492 blocked summation (768.31784s) stopped
T12 >> 1462295978.60608006 Scalapack redistribute (304.49245s) started
T12 << 1462295978.98517704 Scalapack redistribute (304.87155s) stopped
T12 >> 1462295978.98704505 Redistribute (0.09149s) started
T12 << 1462295978.98757410 Redistribute (0.09202s) stopped
T12 >> 1462295980.70995498 Redistribute (0.09204s) started
T12 << 1462295980.71041298 Redistribute (0.09249s) stopped
T12 >> 1462295980.72521901 LCAO WFS Initialize (2582.73559s) started
T12 >> 1462295980.72530508 Density initialize from wavefunctions (485.16936s) started
T12 >> 1462295980.73114896 Calculate density matrix (336.84140s) started
T12 << 1462295990.54683399 Calculate density matrix (346.65708s) stopped
T12 >> 1462295990.54688096 Construct density (25.40085s) started
T12 << 1462295991.30950403 Construct density (26.16348s) stopped
T12 >> 1462295991.32356000 Symmetrize density (0.00273s) started
T12 << 1462295991.32362509 Symmetrize density (0.00279s) stopped
T12 << 1462295995.13125801 Density initialize from wavefunctions (499.57531s) stopped
T12 >> 1462295995.13150907 Hamiltonian (2096.64276s) started
T12 >> 1462295995.13152504 vbar (0.97040s) started
T12 << 1462295995.16033697 vbar (0.99921s) stopped
T12 >> 1462295995.16050291 XC 3D grid (1002.87013s) started
T12 >> 1462295995.64319301 van der Waals (969.03484s) started
T12 >> 1462295995.75471807 semilocal (202.82781s) started
T12 << 1462296001.57957792 semilocal (208.65267s) stopped
T12 >> 1462296001.65359402 redistribute (113.96623s) started
T12 << 1462296002.60160804 redistribute (114.91424s) stopped
T12 >> 1462296002.60166001 libvdwxc nonlocal (645.55911s) started
T12 << 1462296021.19551110 libvdwxc nonlocal (664.15296s) stopped
T12 >> 1462296021.19557500 redistribute (114.91428s) started
T12 << 1462296024.00912595 redistribute (117.72783s) stopped
T12 << 1462296024.01021290 van der Waals (997.40186s) stopped
T12 << 1462296024.46933007 XC 3D grid (1032.17896s) stopped
T12 >> 1462296024.46938896 Poisson (537.93814s) started
T12 << 1462296037.38334990 Poisson (550.85210s) stopped
T12 >> 1462296037.38342500 Hartree integrate/restrict (12.93623s) started
T12 << 1462296037.42666793 Hartree integrate/restrict (12.97947s) stopped
T12 >> 1462296037.42671895 Hartree integrate/restrict (12.97950s) started
T12 << 1462296037.77590108 Hartree integrate/restrict (13.32869s) stopped
T12 >> 1462296037.77600002 Atomic (82.71544s) started
T12 >> 1462296037.77806401 XC Correction (0.00135s) started
T12 << 1462296037.77807903 XC Correction (0.00136s) stopped
T12 << 1462296040.15394807 Atomic (85.09339s) stopped
T12 >> 1462296040.15411305 Communicate (459.17210s) started
T12 << 1462296056.67679000 Communicate (475.69478s) stopped
T12 << 1462296056.67682409 Hamiltonian (2158.18807s) stopped
T12 << 1462296056.67683792 LCAO WFS Initialize (2658.68721s) stopped
T12 << 1462296056.68894601 Initialization (4398.36510s) stopped
T12 >> 1462296056.71491909 SCF-cycle (61029.84324s) started
T12 >> 1462296056.71495390 LCAO eigensolver (30732.06257s) started
T12 >> 1462296056.71496701 Potential matrix (461.97889s) started
T12 << 1462296057.67780304 Potential matrix (462.94172s) stopped
T12 >> 1462296057.67787504 DistributedAtomicCorrection (187.52659s) started
T12 << 1462296058.09040904 DistributedAtomicCorrection (187.93912s) stopped
T12 >> 1462296058.09045506 Distribute overlap matrix (3455.57259s) started
T12 >> 1462296058.09048390 blocked summation (1931.65525s) started
T12 << 1462296062.33140707 blocked summation (1935.89618s) stopped
T12 >> 1462296062.34105492 Scalapack redistribute (1519.21914s) started
T12 << 1462296065.95017791 Scalapack redistribute (1522.82827s) stopped
T12 << 1462296065.95026803 Distribute overlap matrix (3463.43241s) stopped
T12 >> 1462296065.95433497 Blacs Orbital Layouts (25784.82159s) started
T12 >> 1462296065.96361494 General diagonalize (25680.80739s) started
T12 << 1462296122.48741293 General diagonalize (25737.33119s) stopped
T12 >> 1462296122.48745894 Redistribute coefs (3.85990s) started
T12 << 1462296122.49555302 Redistribute coefs (3.86799s) stopped
T12 >> 1462296122.49562192 Send coefs to domains (95.81566s) started
T12 << 1462296122.70025110 Send coefs to domains (96.02029s) stopped
T12 << 1462296122.70068693 Blacs Orbital Layouts (25841.56794s) stopped
T12 >> 1462296122.70071411 Calculate projections (839.82045s) started
T12 << 1462296124.46738696 Calculate projections (841.58713s) stopped
T12 << 1462296124.46758509 LCAO eigensolver (30799.81520s) stopped
T12 >> 1462296127.57100201 Density (7339.14813s) started
T12 >> 1462296127.57101798 Pseudo density (5677.96225s) started
T12 >> 1462296127.57304811 Calculate density matrix (5335.15208s) started
T12 << 1462296139.41451812 Calculate density matrix (5346.99355s) stopped
T12 >> 1462296139.41456509 Construct density (333.78320s) started
T12 << 1462296140.17779994 Construct density (334.54644s) stopped
T12 >> 1462296140.19150996 Symmetrize density (0.03798s) started
T12 << 1462296140.19157290 Symmetrize density (0.03804s) stopped
T12 << 1462296140.19355512 Pseudo density (5690.58478s) stopped
T12 >> 1462296140.19361210 Atomic density matrices (1463.37042s) started
T12 << 1462296143.56885695 Atomic density matrices (1466.74567s) stopped
T12 >> 1462296143.56888795 Multipole moments (5.00718s) started
T12 << 1462296143.58288598 Multipole moments (5.02118s) stopped
T12 >> 1462296143.58290911 Normalize (3.03474s) started
T12 << 1462296143.58915401 Normalize (3.04099s) stopped
T12 >> 1462296143.58920097 Mix (189.73895s) started
T12 << 1462296143.93863201 Mix (190.08838s) stopped
T12 << 1462296143.93870497 Density (7355.51584s) stopped
T12 >> 1462296143.93873692 Hamiltonian (21433.61727s) started
T12 >> 1462296143.93875289 vbar (12.10976s) started
T12 << 1462296143.96338010 vbar (12.13439s) stopped
T12 >> 1462296143.96347594 XC 3D grid (12658.51852s) started
T12 >> 1462296144.54398894 van der Waals (12228.79269s) started
T12 >> 1462296144.65669799 semilocal (2579.06695s) started
T12 << 1462296150.48630810 semilocal (2584.89656s) stopped
T12 >> 1462296150.55821490 redistribute (1323.14168s) started
T12 << 1462296151.51672506 redistribute (1324.10019s) stopped
T12 >> 1462296151.51679611 libvdwxc nonlocal (8241.28092s) started
T12 << 1462296170.13641000 libvdwxc nonlocal (8259.90053s) stopped
T12 >> 1462296170.13647509 redistribute (1324.10024s) started
T12 << 1462296171.85964394 redistribute (1325.82341s) stopped
T12 << 1462296171.86084509 van der Waals (12256.10954s) stopped
T12 << 1462296172.32674599 XC 3D grid (12686.88179s) stopped
T12 >> 1462296172.32679105 Poisson (2745.19957s) started
T12 << 1462296178.23880005 Poisson (2751.11157s) stopped
T12 >> 1462296178.23886609 Hartree integrate/restrict (164.93873s) started
T12 << 1462296178.29027700 Hartree integrate/restrict (164.99014s) stopped
T12 >> 1462296178.29034090 Hartree integrate/restrict (164.99018s) started
T12 << 1462296178.62774491 Hartree integrate/restrict (165.32758s) stopped
T12 >> 1462296178.62783194 Atomic (1068.63394s) started
T12 >> 1462296178.62972689 XC Correction (0.01477s) started
T12 << 1462296178.62974501 XC Correction (0.01479s) stopped
T12 << 1462296180.98715901 Atomic (1070.99326s) stopped
T12 >> 1462296180.98733401 Communicate (4784.03158s) started
T12 << 1462296197.47255492 Communicate (4800.51680s) stopped
T12 << 1462296197.47259307 Hamiltonian (21487.15113s) stopped
T12 >> 1462296197.47261810 LCAO eigensolver (30799.81522s) started
T12 >> 1462296197.47263193 Potential matrix (462.94176s) started
T12 << 1462296198.44145703 Potential matrix (463.91059s) stopped
T12 >> 1462296198.44151902 DistributedAtomicCorrection (187.93916s) started
T12 << 1462296198.85716891 DistributedAtomicCorrection (188.35481s) stopped
T12 >> 1462296198.85721493 Distribute overlap matrix (3463.43242s) started
T12 >> 1462296198.85724306 blocked summation (1935.89623s) started
T12 << 1462296203.15856910 blocked summation (1940.19756s) stopped
T12 >> 1462296203.16821194 Scalapack redistribute (1522.82832s) started
T12 << 1462296206.75151396 Scalapack redistribute (1526.41162s) stopped
T12 << 1462296206.75162101 Distribute overlap matrix (3471.32682s) stopped
T12 >> 1462296206.75576997 Blacs Orbital Layouts (25841.56796s) started
T12 >> 1462296206.76474690 General diagonalize (25737.33123s) started
T12 << 1462296260.07092190 General diagonalize (25790.63741s) stopped
T12 >> 1462296260.07096696 Redistribute coefs (3.86805s) started
T12 << 1462296260.07939196 Redistribute coefs (3.87647s) stopped
T12 >> 1462296260.07943392 Send coefs to domains (96.02032s) started
T12 << 1462296260.17908001 Send coefs to domains (96.11997s) stopped
T12 << 1462296260.17950892 Blacs Orbital Layouts (25894.99170s) stopped
T12 >> 1462296260.17953610 Calculate projections (841.58718s) started
T12 << 1462296261.94762301 Calculate projections (843.35527s) stopped
T12 << 1462296261.94800901 LCAO eigensolver (30864.29061s) stopped
T12 >> 1462296265.04254794 Density (7355.51585s) started
T12 >> 1462296265.04256392 Pseudo density (5690.58483s) started
T12 >> 1462296265.04424691 Calculate density matrix (5346.99358s) started
T12 << 1462296277.11117291 Calculate density matrix (5359.06051s) stopped
T12 >> 1462296277.11122108 Construct density (334.54649s) started
T12 << 1462296277.87569189 Construct density (335.31096s) stopped
T12 >> 1462296277.88978291 Symmetrize density (0.03806s) started
T12 << 1462296277.88984895 Symmetrize density (0.03813s) stopped
T12 << 1462296277.89184999 Pseudo density (5703.43411s) stopped
T12 >> 1462296277.89190888 Atomic density matrices (1466.74569s) started
T12 << 1462296281.29959106 Atomic density matrices (1470.15337s) stopped
T12 >> 1462296281.29962301 Multipole moments (5.02119s) started
T12 << 1462296281.31298709 Multipole moments (5.03456s) stopped
T12 >> 1462296281.31301093 Normalize (3.04102s) started
T12 << 1462296281.31905508 Normalize (3.04706s) stopped
T12 >> 1462296281.31918192 Mix (190.08846s) started
T12 << 1462296281.64237905 Mix (190.41165s) stopped
T12 << 1462296281.64244294 Density (7372.11575s) stopped
T12 >> 1462296281.64247108 Hamiltonian (21487.15114s) started
T12 >> 1462296281.64248610 vbar (12.13444s) started
T12 << 1462296281.66870403 vbar (12.16066s) stopped
T12 >> 1462296281.66879106 XC 3D grid (12686.88182s) started
T12 >> 1462296282.25882912 van der Waals (12256.10957s) started
T12 >> 1462296282.37121511 semilocal (2584.89663s) started
T12 << 1462296288.16907310 semilocal (2590.69449s) stopped
T12 >> 1462296288.24387503 redistribute (1325.82346s) started
T12 << 1462296289.27712798 redistribute (1326.85672s) stopped
T12 >> 1462296289.27716994 libvdwxc nonlocal (8259.90058s) started
T12 << 1462296308.71831608 libvdwxc nonlocal (8279.34173s) stopped
T12 >> 1462296308.71838403 redistribute (1326.85675s) started
T12 << 1462296310.42689800 redistribute (1328.56526s) stopped
T12 << 1462296310.42817211 van der Waals (12284.27891s) stopped
T12 << 1462296310.89109898 XC 3D grid (12716.10413s) stopped
T12 >> 1462296310.89116001 Poisson (2751.11162s) started
T12 << 1462296321.13750100 Poisson (2761.35796s) stopped
T12 >> 1462296321.13756108 Hartree integrate/restrict (165.32763s) started
T12 << 1462296321.19470501 Hartree integrate/restrict (165.38477s) stopped
T12 >> 1462296321.19475198 Hartree integrate/restrict (165.38480s) started
T12 << 1462296321.50765491 Hartree integrate/restrict (165.69770s) stopped
T12 >> 1462296321.50772691 Atomic (1070.99329s) started
T12 >> 1462296321.50944805 XC Correction (0.01480s) started
T12 << 1462296321.50946903 XC Correction (0.01482s) stopped
T12 << 1462296323.89665389 Atomic (1073.38221s) stopped
T12 >> 1462296323.89682388 Communicate (4800.51682s) started
T12 << 1462296340.41560411 Communicate (4817.03560s) stopped
T12 << 1462296340.41564107 Hamiltonian (21545.92431s) stopped
T12 >> 1462296340.41566610 LCAO eigensolver (30864.29063s) started
T12 >> 1462296340.41567993 Potential matrix (463.91062s) started
T12 << 1462296341.39062691 Potential matrix (464.88557s) stopped
T12 >> 1462296341.39070296 DistributedAtomicCorrection (188.35484s) started
T12 << 1462296341.81054401 DistributedAtomicCorrection (188.77469s) stopped
T12 >> 1462296341.81059098 Distribute overlap matrix (3471.32684s) started
T12 >> 1462296341.81062102 blocked summation (1940.19759s) started
T12 << 1462296346.08207893 blocked summation (1944.46905s) stopped
T12 >> 1462296346.09145689 Scalapack redistribute (1526.41168s) started
T12 << 1462296349.68435311 Scalapack redistribute (1530.00458s) stopped
T12 << 1462296349.68444800 Distribute overlap matrix (3479.20069s) stopped
T12 >> 1462296349.68846107 Blacs Orbital Layouts (25894.99172s) started
T12 >> 1462296349.69794512 General diagonalize (25790.63744s) started
T12 << 1462296405.26376295 General diagonalize (25846.20326s) stopped
T12 >> 1462296405.26381397 Redistribute coefs (3.87650s) started
T12 << 1462296405.27190089 Redistribute coefs (3.88459s) stopped
T12 >> 1462296405.27194309 Send coefs to domains (96.12000s) started
T12 << 1462296405.51678705 Send coefs to domains (96.36484s) stopped
T12 << 1462296405.51742792 Blacs Orbital Layouts (25950.82069s) stopped
T12 >> 1462296405.51745391 Calculate projections (843.35532s) started
T12 << 1462296407.28189611 Calculate projections (845.11976s) stopped
T12 << 1462296407.28224492 LCAO eigensolver (30931.15720s) stopped
T12 >> 1462296410.38487792 Density (7372.11576s) started
T12 >> 1462296410.38489294 Pseudo density (5703.43416s) started
T12 >> 1462296410.38680911 Calculate density matrix (5359.06054s) started
T12 << 1462296423.28274798 Calculate density matrix (5371.95648s) stopped
T12 >> 1462296423.28279901 Construct density (335.31101s) started
T12 << 1462296424.04557204 Construct density (336.07378s) stopped
T12 >> 1462296424.06011200 Symmetrize density (0.03815s) started
T12 << 1462296424.06017900 Symmetrize density (0.03821s) stopped
T12 << 1462296424.06213593 Pseudo density (5717.11140s) stopped
T12 >> 1462296424.06219602 Atomic density matrices (1470.15340s) started
T12 << 1462296427.44736099 Atomic density matrices (1473.53856s) stopped
T12 >> 1462296427.44739294 Multipole moments (5.03457s) started
T12 << 1462296427.46131706 Multipole moments (5.04850s) stopped
T12 >> 1462296427.46133995 Normalize (3.04716s) started
T12 << 1462296427.46747899 Normalize (3.05330s) stopped
T12 >> 1462296427.46758389 Mix (190.41172s) started
T12 << 1462296427.83074689 Mix (190.77488s) stopped
T12 << 1462296427.83081794 Density (7389.56170s) stopped
T12 >> 1462296427.83084989 Hamiltonian (21545.92432s) started
T12 >> 1462296427.83086610 vbar (12.16071s) started
T12 << 1462296427.86014700 vbar (12.18999s) stopped
T12 >> 1462296427.86025500 XC 3D grid (12716.10418s) started
T12 >> 1462296428.38822508 van der Waals (12284.27894s) started
T12 >> 1462296428.49877691 semilocal (2590.69457s) started
T12 << 1462296434.26866794 semilocal (2596.46446s) stopped
T12 >> 1462296434.34681010 redistribute (1328.56532s) started
T12 << 1462296435.36360192 redistribute (1329.58211s) stopped
T12 >> 1462296435.36364508 libvdwxc nonlocal (8279.34178s) started
T12 << 1462296454.03801203 libvdwxc nonlocal (8298.01615s) stopped
T12 >> 1462296454.03805995 redistribute (1329.58214s) started
T12 << 1462296455.72272706 redistribute (1331.26681s) stopped
T12 << 1462296455.72376704 van der Waals (12311.61448s) stopped
T12 << 1462296456.19044399 XC 3D grid (12744.43437s) stopped
T12 >> 1462296456.19049907 Poisson (2761.35801s) started
T12 << 1462296463.40039611 Poisson (2768.56791s) stopped
T12 >> 1462296463.40052295 Hartree integrate/restrict (165.69773s) started
T12 << 1462296463.44960403 Hartree integrate/restrict (165.74681s) stopped
T12 >> 1462296463.44969010 Hartree integrate/restrict (165.74688s) started
T12 << 1462296463.80615306 Hartree integrate/restrict (166.10334s) stopped
T12 >> 1462296463.80624390 Atomic (1073.38224s) started
T12 >> 1462296463.80803490 XC Correction (0.01483s) started
T12 << 1462296463.80805898 XC Correction (0.01486s) stopped
T12 << 1462296466.19306493 Atomic (1075.76906s) stopped
T12 >> 1462296466.19322491 Communicate (4817.03563s) started
T12 << 1462296482.48840094 Communicate (4833.33080s) stopped
T12 << 1462296482.48843694 Hamiltonian (21600.58191s) stopped
T12 >> 1462296482.48846197 LCAO eigensolver (30931.15722s) started
T12 >> 1462296482.48847508 Potential matrix (464.88561s) started
T12 << 1462296483.46857691 Potential matrix (465.86572s) stopped
T12 >> 1462296483.46863294 DistributedAtomicCorrection (188.77472s) started
T12 << 1462296483.89057899 DistributedAtomicCorrection (189.19667s) stopped
T12 >> 1462296483.89062595 Distribute overlap matrix (3479.20071s) started
T12 >> 1462296483.89065599 blocked summation (1944.46908s) started
T12 << 1462296488.18834305 blocked summation (1948.76676s) stopped
T12 >> 1462296488.19701695 Scalapack redistribute (1530.00464s) started
T12 << 1462296491.79871202 Scalapack redistribute (1533.60633s) stopped
T12 << 1462296491.79882407 Distribute overlap matrix (3487.10890s) stopped
T12 >> 1462296491.80321598 Blacs Orbital Layouts (25950.82071s) started
T12 >> 1462296491.81183100 General diagonalize (25846.20330s) started
T12 << 1462296547.17441106 General diagonalize (25901.56588s) stopped
T12 >> 1462296547.17446709 Redistribute coefs (3.88462s) started
T12 << 1462296547.18432212 Redistribute coefs (3.89447s) stopped
T12 >> 1462296547.18437910 Send coefs to domains (96.36488s) started
T12 << 1462296547.30824208 Send coefs to domains (96.48874s) stopped
T12 << 1462296547.30879998 Blacs Orbital Layouts (26006.32629s) stopped
T12 >> 1462296547.30883408 Calculate projections (845.11981s) started
T12 << 1462296549.09012699 Calculate projections (846.90111s) stopped
T12 << 1462296549.09035707 LCAO eigensolver (30997.75912s) stopped
T12 >> 1462296552.16779804 Density (7389.56172s) started
T12 >> 1462296552.16781902 Pseudo density (5717.11145s) started
T12 >> 1462296552.17158508 Calculate density matrix (5371.95652s) started
T12 << 1462296564.25315809 Calculate density matrix (5384.03809s) stopped
T12 >> 1462296564.25321388 Construct density (336.07383s) started
T12 << 1462296565.01771402 Construct density (336.83833s) stopped
T12 >> 1462296565.03399706 Symmetrize density (0.03823s) started
T12 << 1462296565.03407407 Symmetrize density (0.03831s) stopped
T12 << 1462296565.03655410 Pseudo density (5729.98019s) stopped
T12 >> 1462296565.03662205 Atomic density matrices (1473.53859s) started
T12 << 1462296568.40818596 Atomic density matrices (1476.91015s) stopped
T12 >> 1462296568.40822196 Multipole moments (5.04851s) started
T12 << 1462296568.42222691 Multipole moments (5.06252s) stopped
T12 >> 1462296568.42226005 Normalize (3.05339s) started
T12 << 1462296568.43005300 Normalize (3.06118s) stopped
T12 >> 1462296568.43010092 Mix (190.77495s) started
T12 << 1462296568.84251094 Mix (191.18736s) stopped
T12 << 1462296568.84257793 Density (7406.23650s) stopped
T12 >> 1462296568.84260702 Hamiltonian (21600.58192s) started
T12 >> 1462296568.84262204 vbar (12.19005s) started
T12 << 1462296568.86341596 vbar (12.21085s) stopped
T12 >> 1462296568.86352992 XC 3D grid (12744.43441s) started
T12 >> 1462296569.35926008 van der Waals (12311.61451s) started
T12 >> 1462296569.47376800 semilocal (2596.46456s) started
T12 << 1462296575.23387003 semilocal (2602.22466s) stopped
T12 >> 1462296575.30658698 redistribute (1331.26687s) started
T12 << 1462296576.34448195 redistribute (1332.30476s) stopped
T12 >> 1462296576.34453201 libvdwxc nonlocal (8298.01618s) started
T12 << 1462296594.48385406 libvdwxc nonlocal (8316.15550s) stopped
T12 >> 1462296594.48393202 redistribute (1332.30480s) started
T12 << 1462296596.51800489 redistribute (1334.33887s) stopped
T12 << 1462296596.51887202 van der Waals (12338.77412s) stopped
T12 << 1462296596.97917795 XC 3D grid (12772.55006s) stopped
T12 >> 1462296596.97923994 Poisson (2768.56801s) started
T12 << 1462296604.10991096 Poisson (2775.69868s) stopped
T12 >> 1462296604.11005712 Hartree integrate/restrict (166.10339s) started
T12 << 1462296604.14902902 Hartree integrate/restrict (166.14236s) stopped
T12 >> 1462296604.14911699 Hartree integrate/restrict (166.14242s) started
T12 << 1462296604.48654890 Hartree integrate/restrict (166.47985s) stopped
T12 >> 1462296604.48666191 Atomic (1075.76908s) started
T12 >> 1462296604.48842096 XC Correction (0.01487s) started
T12 << 1462296604.48843598 XC Correction (0.01488s) stopped
T12 << 1462296606.86690688 Atomic (1078.14933s) stopped
T12 >> 1462296606.86708903 Communicate (4833.33083s) started
T12 << 1462296622.25123501 Communicate (4848.71497s) stopped
T12 << 1462296622.25127411 Hamiltonian (21653.99059s) stopped
T12 >> 1462296622.25130010 LCAO eigensolver (30997.75914s) started
T12 >> 1462296622.25131297 Potential matrix (465.86574s) started
T12 << 1462296623.21987391 Potential matrix (466.83431s) stopped
T12 >> 1462296623.21996188 DistributedAtomicCorrection (189.19671s) started
T12 << 1462296623.64906096 DistributedAtomicCorrection (189.62581s) stopped
T12 >> 1462296623.64911008 Distribute overlap matrix (3487.10892s) started
T12 >> 1462296623.64914298 blocked summation (1948.76679s) started
T12 << 1462296627.99869299 blocked summation (1953.11634s) stopped
T12 >> 1462296628.00777602 Scalapack redistribute (1533.60640s) started
T12 << 1462296631.53034091 Scalapack redistribute (1537.12897s) stopped
T12 << 1462296631.53045011 Distribute overlap matrix (3494.99026s) stopped
T12 >> 1462296631.53538799 Blacs Orbital Layouts (26006.32631s) started
T12 >> 1462296631.54428196 General diagonalize (25901.56593s) started
T12 << 1462296686.81071091 General diagonalize (25956.83236s) stopped
T12 >> 1462296686.81076598 Redistribute coefs (3.89452s) started
T12 << 1462296686.81953406 Redistribute coefs (3.90329s) stopped
T12 >> 1462296686.81958294 Send coefs to domains (96.48878s) started
T12 << 1462296686.97518206 Send coefs to domains (96.64438s) stopped
T12 << 1462296686.97562504 Blacs Orbital Layouts (26061.76655s) stopped
T12 >> 1462296686.97565508 Calculate projections (846.90116s) started
T12 << 1462296688.75626802 Calculate projections (848.68177s) stopped
T12 << 1462296688.75647998 LCAO eigensolver (31064.26432s) stopped
T12 >> 1462296691.84298205 Density (7406.23651s) started
T12 >> 1462296691.84299707 Pseudo density (5729.98024s) started
T12 >> 1462296691.84589505 Calculate density matrix (5384.03813s) started
T12 << 1462296703.71140289 Calculate density matrix (5395.90363s) stopped
T12 >> 1462296703.71145797 Construct density (336.83839s) started
T12 << 1462296704.47803307 Construct density (337.60497s) stopped
T12 >> 1462296704.49430704 Symmetrize density (0.03833s) started
T12 << 1462296704.49438500 Symmetrize density (0.03841s) stopped
T12 << 1462296704.49683690 Pseudo density (5742.63408s) stopped
T12 >> 1462296704.49690700 Atomic density matrices (1476.91018s) started
T12 << 1462296707.92549396 Atomic density matrices (1480.33877s) stopped
T12 >> 1462296707.92552996 Multipole moments (5.06253s) started
T12 << 1462296707.93936491 Multipole moments (5.07637s) stopped
T12 >> 1462296707.93939710 Normalize (3.06122s) started
T12 << 1462296707.94619894 Normalize (3.06802s) stopped
T12 >> 1462296707.94624305 Mix (191.18742s) started
T12 << 1462296708.38645792 Mix (191.62764s) stopped
T12 << 1462296708.38651395 Density (7422.78004s) stopped
T12 >> 1462296708.38654208 Hamiltonian (21653.99060s) started
T12 >> 1462296708.38655806 vbar (12.21091s) started
T12 << 1462296708.40961695 vbar (12.23397s) stopped
T12 >> 1462296708.40973306 XC 3D grid (12772.55011s) started
T12 >> 1462296708.90156293 van der Waals (12338.77414s) started
T12 >> 1462296709.01411796 semilocal (2602.22476s) started
T12 << 1462296714.76708794 semilocal (2607.97773s) stopped
T12 >> 1462296714.84136200 redistribute (1334.33893s) started
T12 << 1462296715.86952806 redistribute (1335.36710s) stopped
T12 >> 1462296715.86959004 libvdwxc nonlocal (8316.15556s) started
T12 << 1462296733.80748391 libvdwxc nonlocal (8334.09346s) stopped
T12 >> 1462296733.80756807 redistribute (1335.36714s) started
T12 << 1462296735.93570590 redistribute (1337.49528s) stopped
T12 << 1462296735.93668795 van der Waals (12365.80927s) stopped
T12 << 1462296736.39816594 XC 3D grid (12800.53854s) stopped
T12 >> 1462296736.39823794 Poisson (2775.69879s) started
T12 << 1462296743.55537605 Poisson (2782.85593s) stopped
T12 >> 1462296743.55551696 Hartree integrate/restrict (166.47992s) started
T12 << 1462296743.59527802 Hartree integrate/restrict (166.51968s) stopped
T12 >> 1462296743.59536099 Hartree integrate/restrict (166.51973s) started
T12 << 1462296743.92376089 Hartree integrate/restrict (166.84813s) stopped
T12 >> 1462296743.92384505 Atomic (1078.14935s) started
T12 >> 1462296743.92560792 XC Correction (0.01489s) started
T12 << 1462296743.92562199 XC Correction (0.01491s) stopped
T12 << 1462296746.30444098 Atomic (1080.52995s) stopped
T12 >> 1462296746.30461097 Communicate (4848.71500s) started
T12 << 1462296761.24941111 Communicate (4863.65980s) stopped
T12 << 1462296761.24944401 Hamiltonian (21706.85350s) stopped
T12 >> 1462296761.24946904 LCAO eigensolver (31064.26434s) started
T12 >> 1462296761.24948192 Potential matrix (466.83435s) started
T12 << 1462296762.21844101 Potential matrix (467.80331s) stopped
T12 >> 1462296762.21853495 DistributedAtomicCorrection (189.62585s) started
T12 << 1462296762.66030598 DistributedAtomicCorrection (190.06762s) stopped
T12 >> 1462296762.66037107 Distribute overlap matrix (3494.99027s) started
T12 >> 1462296762.66039610 blocked summation (1953.11638s) started
T12 << 1462296766.97631097 blocked summation (1957.43229s) stopped
T12 >> 1462296766.98556304 Scalapack redistribute (1537.12902s) started
T12 << 1462296770.47175193 Scalapack redistribute (1540.61521s) stopped
T12 << 1462296770.47184110 Distribute overlap matrix (3502.80174s) stopped
T12 >> 1462296770.47654009 Blacs Orbital Layouts (26061.76657s) started
T12 >> 1462296770.48589110 General diagonalize (25956.83240s) started
T12 << 1462296823.08695602 General diagonalize (26009.43347s) stopped
T12 >> 1462296823.08702493 Redistribute coefs (3.90332s) started
T12 << 1462296823.09530306 Redistribute coefs (3.91160s) stopped
T12 >> 1462296823.09536695 Send coefs to domains (96.64442s) started
T12 << 1462296823.32899404 Send coefs to domains (96.87804s) stopped
T12 << 1462296823.32965302 Blacs Orbital Layouts (26114.61968s) stopped
T12 >> 1462296823.32968092 Calculate projections (848.68184s) started
T12 << 1462296825.09803009 Calculate projections (850.45018s) stopped
T12 << 1462296825.09825611 LCAO eigensolver (31128.11312s) stopped
T12 >> 1462296828.20179796 Density (7422.78006s) started
T12 >> 1462296828.20181608 Pseudo density (5742.63414s) started
T12 >> 1462296828.20388699 Calculate density matrix (5395.90367s) started
T12 << 1462296840.26156402 Calculate density matrix (5407.96135s) stopped
T12 >> 1462296840.26161408 Construct density (337.60502s) started
T12 << 1462296841.02414203 Construct density (338.36755s) stopped
T12 >> 1462296841.03821397 Symmetrize density (0.03843s) started
T12 << 1462296841.03827810 Symmetrize density (0.03849s) stopped
T12 << 1462296841.04035401 Pseudo density (5755.47267s) stopped
T12 >> 1462296841.04041100 Atomic density matrices (1480.33879s) started
T12 << 1462296844.45309210 Atomic density matrices (1483.75148s) stopped
T12 >> 1462296844.45312595 Multipole moments (5.07639s) started
T12 << 1462296844.46633101 Multipole moments (5.08959s) stopped
T12 >> 1462296844.46636105 Normalize (3.06805s) started
T12 << 1462296844.47282290 Normalize (3.07451s) stopped
T12 >> 1462296844.47290111 Mix (191.62769s) started
T12 << 1462296844.88230205 Mix (192.03709s) stopped
T12 << 1462296844.88236809 Density (7439.46063s) stopped
T12 >> 1462296844.88239694 Hamiltonian (21706.85352s) started
T12 >> 1462296844.88241196 vbar (12.23403s) started
T12 << 1462296844.91073990 vbar (12.26236s) stopped
T12 >> 1462296844.91091299 XC 3D grid (12800.53860s) started
T12 >> 1462296845.42273593 van der Waals (12365.80930s) started
T12 >> 1462296845.53269100 semilocal (2607.97782s) started
T12 << 1462296851.38309193 semilocal (2613.82822s) stopped
T12 >> 1462296851.46903491 redistribute (1337.49534s) started
T12 << 1462296852.43023801 redistribute (1338.45654s) stopped
T12 >> 1462296852.43028212 libvdwxc nonlocal (8334.09352s) started
T12 << 1462296870.90175200 libvdwxc nonlocal (8352.56499s) stopped
T12 >> 1462296870.90184689 redistribute (1338.45657s) started
T12 << 1462296873.43604994 redistribute (1340.99078s) stopped
T12 << 1462296873.43724108 van der Waals (12393.82380s) stopped
T12 << 1462296873.89944792 XC 3D grid (12829.52714s) stopped
T12 >> 1462296873.89948702 Poisson (2782.85604s) started
T12 << 1462296878.30825710 Poisson (2787.26481s) stopped
T12 >> 1462296878.30834794 Hartree integrate/restrict (166.84817s) started
T12 << 1462296878.35709691 Hartree integrate/restrict (166.89692s) stopped
T12 >> 1462296878.35717702 Hartree integrate/restrict (166.89698s) started
T12 << 1462296878.66823506 Hartree integrate/restrict (167.20803s) stopped
T12 >> 1462296878.66833806 Atomic (1080.52997s) started
T12 >> 1462296878.67013192 XC Correction (0.01492s) started
T12 << 1462296878.67015004 XC Correction (0.01494s) stopped
T12 << 1462296881.05383492 Atomic (1082.91547s) stopped
T12 >> 1462296881.05398107 Communicate (4863.65982s) started
T12 << 1462296895.88518095 Communicate (4878.49102s) stopped
T12 << 1462296895.88521910 Hamiltonian (21757.85634s) stopped
T12 >> 1462296895.88524389 LCAO eigensolver (31128.11314s) started
T12 >> 1462296895.88525701 Potential matrix (467.80337s) started
T12 << 1462296896.85522699 Potential matrix (468.77334s) stopped
T12 >> 1462296896.85529590 DistributedAtomicCorrection (190.06766s) started
T12 << 1462296897.29082298 DistributedAtomicCorrection (190.50318s) stopped
T12 >> 1462296897.29088306 Distribute overlap matrix (3502.80175s) started
T12 >> 1462296897.29090500 blocked summation (1957.43233s) started
T12 << 1462296901.64799809 blocked summation (1961.78942s) stopped
T12 >> 1462296901.65648007 Scalapack redistribute (1540.61525s) started
T12 << 1462296905.14623594 Scalapack redistribute (1544.10501s) stopped
T12 << 1462296905.14630890 Distribute overlap matrix (3510.65718s) stopped
T12 >> 1462296905.15154696 Blacs Orbital Layouts (26114.61970s) started
T12 >> 1462296905.16035104 General diagonalize (26009.43352s) started
T12 << 1462296958.00438190 General diagonalize (26062.27755s) stopped
T12 >> 1462296958.00442910 Redistribute coefs (3.91165s) started
T12 << 1462296958.01246810 Redistribute coefs (3.91969s) stopped
T12 >> 1462296958.01251101 Send coefs to domains (96.87808s) started
T12 << 1462296958.11382890 Send coefs to domains (96.97940s) stopped
T12 << 1462296958.11420989 Blacs Orbital Layouts (26167.58236s) stopped
T12 >> 1462296958.11423802 Calculate projections (850.45023s) started
T12 << 1462296959.88155890 Calculate projections (852.21755s) stopped
T12 << 1462296959.88173103 LCAO eigensolver (31192.10963s) stopped
T12 >> 1462296962.99253988 Density (7439.46064s) started
T12 >> 1462296962.99255490 Pseudo density (5755.47272s) started
T12 >> 1462296962.99458504 Calculate density matrix (5407.96139s) started
T12 << 1462296974.92897010 Calculate density matrix (5419.89577s) stopped
T12 >> 1462296974.92901993 Construct density (338.36760s) started
T12 << 1462296975.69159198 Construct density (339.13017s) stopped
T12 >> 1462296975.70567203 Symmetrize density (0.03851s) started
T12 << 1462296975.70573711 Symmetrize density (0.03857s) stopped
T12 << 1462296975.70781803 Pseudo density (5768.18798s) stopped
T12 >> 1462296975.70787501 Atomic density matrices (1483.75150s) started
T12 << 1462296979.14769793 Atomic density matrices (1487.19132s) stopped
T12 >> 1462296979.14773202 Multipole moments (5.08961s) started
T12 << 1462296979.16091609 Multipole moments (5.10279s) stopped
T12 >> 1462296979.16094589 Normalize (3.07457s) started
T12 << 1462296979.16730690 Normalize (3.08093s) stopped
T12 >> 1462296979.16739607 Mix (192.03716s) started
T12 << 1462296979.60281110 Mix (192.47257s) stopped
T12 << 1462296979.60292196 Density (7456.07102s) stopped
T12 >> 1462296979.60296512 Hamiltonian (21757.85635s) started
T12 >> 1462296979.60298610 vbar (12.26249s) started
T12 << 1462296979.63105607 vbar (12.29056s) stopped
T12 >> 1462296979.63115811 XC 3D grid (12829.52717s) started
T12 >> 1462296980.14280796 van der Waals (12393.82384s) started
T12 >> 1462296980.25143409 semilocal (2613.82832s) started
T12 << 1462296985.99741507 semilocal (2619.57430s) stopped
T12 >> 1462296986.08663511 redistribute (1340.99083s) started
T12 << 1462296987.13471699 redistribute (1342.03891s) stopped
T12 >> 1462296987.13475895 libvdwxc nonlocal (8352.56507s) started
T12 << 1462297005.42208791 libvdwxc nonlocal (8370.85240s) stopped
T12 >> 1462297005.42215300 redistribute (1342.03895s) started
T12 << 1462297007.15106392 redistribute (1343.76786s) stopped
T12 << 1462297007.15230799 van der Waals (12420.83334s) stopped
T12 << 1462297007.61455607 XC 3D grid (12857.51056s) stopped
T12 >> 1462297007.61459804 Poisson (2787.26488s) started
T12 << 1462297011.93275499 Poisson (2791.58304s) stopped
T12 >> 1462297011.93282700 Hartree integrate/restrict (167.20809s) started
T12 << 1462297011.97798896 Hartree integrate/restrict (167.25325s) stopped
T12 >> 1462297011.97803903 Hartree integrate/restrict (167.25328s) started
T12 << 1462297012.30789995 Hartree integrate/restrict (167.58314s) stopped
T12 >> 1462297012.30799103 Atomic (1082.91549s) started
T12 >> 1462297012.30965710 XC Correction (0.01495s) started
T12 << 1462297012.30967093 XC Correction (0.01496s) stopped
T12 << 1462297014.69393110 Atomic (1085.30143s) stopped
T12 >> 1462297014.69406509 Communicate (4878.49105s) started
T12 << 1462297029.65609288 Communicate (4893.45307s) stopped
T12 << 1462297029.65612102 Hamiltonian (21807.90951s) stopped
T12 >> 1462297029.65614390 LCAO eigensolver (31192.10965s) started
T12 >> 1462297029.65615702 Potential matrix (468.77338s) started
T12 << 1462297030.62981296 Potential matrix (469.74703s) stopped
T12 >> 1462297030.62988305 DistributedAtomicCorrection (190.50322s) started
T12 << 1462297031.05879498 DistributedAtomicCorrection (190.93213s) stopped
T12 >> 1462297031.05885506 Distribute overlap matrix (3510.65719s) started
T12 >> 1462297031.05887699 blocked summation (1961.78946s) started
T12 << 1462297035.54132390 blocked summation (1966.27190s) stopped
T12 >> 1462297035.55052400 Scalapack redistribute (1544.10505s) started
T12 << 1462297038.91531205 Scalapack redistribute (1547.46983s) stopped
T12 << 1462297038.91538811 Distribute overlap matrix (3518.51373s) stopped
T12 >> 1462297038.92058611 Blacs Orbital Layouts (26167.58238s) started
T12 >> 1462297038.92926788 General diagonalize (26062.27759s) started
T12 << 1462297093.61873698 General diagonalize (26116.96706s) stopped
T12 >> 1462297093.61879206 Redistribute coefs (3.91973s) started
T12 << 1462297093.62786698 Redistribute coefs (3.92880s) stopped
T12 >> 1462297093.62791395 Send coefs to domains (96.97943s) started
T12 << 1462297093.87958097 Send coefs to domains (97.23109s) stopped
T12 << 1462297093.88004899 Blacs Orbital Layouts (26222.54185s) stopped
T12 >> 1462297093.88007998 Calculate projections (852.21760s) started
T12 << 1462297095.65978289 Calculate projections (853.99730s) stopped
T12 << 1462297095.66001701 LCAO eigensolver (31258.11352s) stopped
T12 >> 1462297098.74766493 Density (7456.07104s) started
T12 >> 1462297098.74767995 Pseudo density (5768.18803s) started
T12 >> 1462297098.75067496 Calculate density matrix (5419.89581s) started
T12 << 1462297111.65606189 Calculate density matrix (5432.80119s) stopped
T12 >> 1462297111.65611911 Construct density (339.13023s) started
T12 << 1462297112.42122412 Construct density (339.89533s) stopped
T12 >> 1462297112.43853402 Symmetrize density (0.03859s) started
T12 << 1462297112.43861198 Symmetrize density (0.03867s) stopped
T12 << 1462297112.44107604 Pseudo density (5781.88143s) stopped
T12 >> 1462297112.44114399 Atomic density matrices (1487.19135s) started
T12 << 1462297115.82478905 Atomic density matrices (1490.57499s) stopped
T12 >> 1462297115.82483006 Multipole moments (5.10281s) started
T12 << 1462297115.83860207 Multipole moments (5.11658s) stopped
T12 >> 1462297115.83863497 Normalize (3.08100s) started
T12 << 1462297115.84626198 Normalize (3.08863s) stopped
T12 >> 1462297115.84630704 Mix (192.47268s) started
T12 << 1462297116.27304292 Mix (192.89942s) stopped
T12 << 1462297116.27310205 Density (7473.59648s) stopped
T12 >> 1462297116.27316403 Hamiltonian (21807.90952s) started
T12 >> 1462297116.27318096 vbar (12.29062s) started
T12 << 1462297116.29844809 vbar (12.31589s) stopped
T12 >> 1462297116.29867601 XC 3D grid (12857.51060s) started
T12 >> 1462297116.80292010 van der Waals (12420.83337s) started
T12 >> 1462297116.91512489 semilocal (2619.57440s) started
T12 << 1462297122.73482895 semilocal (2625.39411s) stopped
T12 >> 1462297122.80816293 redistribute (1343.76791s) started
T12 << 1462297123.79340911 redistribute (1344.75316s) stopped
T12 >> 1462297123.79346108 libvdwxc nonlocal (8370.85245s) started
T12 << 1462297141.84435105 libvdwxc nonlocal (8388.90334s) stopped
T12 >> 1462297141.84441495 redistribute (1344.75320s) started
T12 << 1462297143.86631608 redistribute (1346.77510s) stopped
T12 << 1462297143.86755800 van der Waals (12447.89800s) stopped
T12 << 1462297144.32298398 XC 3D grid (12885.53491s) stopped
T12 >> 1462297144.32304406 Poisson (2791.58309s) started
T12 << 1462297148.63263392 Poisson (2795.89268s) stopped
T12 >> 1462297148.63274598 Hartree integrate/restrict (167.58319s) started
T12 << 1462297148.67181706 Hartree integrate/restrict (167.62226s) stopped
T12 >> 1462297148.67191100 Hartree integrate/restrict (167.62232s) started
T12 << 1462297148.99867392 Hartree integrate/restrict (167.94908s) stopped
T12 >> 1462297148.99877501 Atomic (1085.30146s) started
T12 >> 1462297149.00060010 XC Correction (0.01497s) started
T12 << 1462297149.00061488 XC Correction (0.01499s) stopped
T12 << 1462297151.38360596 Atomic (1087.68629s) stopped
T12 >> 1462297151.38374996 Communicate (4893.45309s) started
T12 << 1462297166.27245212 Communicate (4908.34179s) stopped
T12 << 1462297166.27249503 Hamiltonian (21857.90885s) stopped
T12 >> 1462297166.27252197 LCAO eigensolver (31258.11354s) started
T12 >> 1462297166.27253509 Potential matrix (469.74708s) started
T12 << 1462297167.25062203 Potential matrix (470.72516s) stopped
T12 >> 1462297167.25071311 DistributedAtomicCorrection (190.93217s) started
T12 << 1462297167.68369508 DistributedAtomicCorrection (191.36515s) stopped
T12 >> 1462297167.68375897 Distribute overlap matrix (3518.51374s) started
T12 >> 1462297167.68378401 blocked summation (1966.27193s) started
T12 << 1462297172.09307098 blocked summation (1970.68122s) stopped
T12 >> 1462297172.10215497 Scalapack redistribute (1547.46987s) started
T12 << 1462297175.59540606 Scalapack redistribute (1550.96312s) stopped
T12 << 1462297175.59551907 Distribute overlap matrix (3526.42550s) stopped
T12 >> 1462297175.60020494 Blacs Orbital Layouts (26222.54187s) started
T12 >> 1462297175.60912204 General diagonalize (26116.96710s) started
T12 << 1462297228.37462997 General diagonalize (26169.73261s) stopped
T12 >> 1462297228.37468290 Redistribute coefs (3.92884s) started
T12 << 1462297228.38317108 Redistribute coefs (3.93733s) stopped
T12 >> 1462297228.38322210 Send coefs to domains (97.23113s) started
T12 << 1462297228.73368311 Send coefs to domains (97.58159s) stopped
T12 << 1462297228.73415089 Blacs Orbital Layouts (26275.67581s) stopped
T12 >> 1462297228.73418188 Calculate projections (853.99736s) started
T12 << 1462297230.51347709 Calculate projections (855.77666s) stopped
T12 << 1462297230.51368690 LCAO eigensolver (31322.35471s) stopped
T12 >> 1462297233.60504198 Density (7473.59652s) started
T12 >> 1462297233.60505700 Pseudo density (5781.88148s) started
T12 >> 1462297233.60903311 Calculate density matrix (5432.80123s) started
T12 << 1462297245.52983809 Calculate density matrix (5444.72204s) stopped
T12 >> 1462297245.52989507 Construct density (339.89539s) started
T12 << 1462297246.29396391 Construct density (340.65946s) stopped
T12 >> 1462297246.31123590 Symmetrize density (0.03869s) started
T12 << 1462297246.31131291 Symmetrize density (0.03876s) stopped
T12 << 1462297246.31376410 Pseudo density (5794.59019s) stopped
T12 >> 1462297246.31383705 Atomic density matrices (1490.57502s) started
T12 << 1462297249.71519089 Atomic density matrices (1493.97638s) stopped
T12 >> 1462297249.71522903 Multipole moments (5.11660s) started
T12 << 1462297249.72900105 Multipole moments (5.13037s) stopped
T12 >> 1462297249.72903490 Normalize (3.08866s) started
T12 << 1462297249.73809290 Normalize (3.09772s) stopped
T12 >> 1462297249.73815203 Mix (192.89948s) started
T12 << 1462297250.17427611 Mix (193.33560s) stopped
T12 << 1462297250.17433500 Density (7490.16582s) stopped
T12 >> 1462297250.17436504 Hamiltonian (21857.90887s) started
T12 >> 1462297250.17438006 vbar (12.31601s) started
T12 << 1462297250.19989991 vbar (12.34153s) stopped
T12 >> 1462297250.20009494 XC 3D grid (12885.53496s) started
T12 >> 1462297250.69214797 van der Waals (12447.89803s) started
T12 >> 1462297250.80852699 semilocal (2625.39418s) started
T12 << 1462297256.56677604 semilocal (2631.15243s) stopped
T12 >> 1462297256.64115691 redistribute (1346.77516s) started
T12 << 1462297257.68978190 redistribute (1347.82378s) stopped
T12 >> 1462297257.68983698 libvdwxc nonlocal (8388.90339s) started
T12 << 1462297275.77861404 libvdwxc nonlocal (8406.99217s) stopped
T12 >> 1462297275.77867699 redistribute (1347.82382s) started
T12 << 1462297277.71894193 redistribute (1349.76409s) stopped
T12 << 1462297277.71999907 van der Waals (12474.92588s) stopped
T12 << 1462297278.17504907 XC 3D grid (12913.50991s) stopped
T12 >> 1462297278.17511106 Poisson (2795.89276s) started
T12 << 1462297282.55059910 Poisson (2800.26825s) stopped
T12 >> 1462297282.55073905 Hartree integrate/restrict (167.94914s) started
T12 << 1462297282.59052801 Hartree integrate/restrict (167.98893s) stopped
T12 >> 1462297282.59066892 Hartree integrate/restrict (167.98902s) started
T12 << 1462297282.92685103 Hartree integrate/restrict (168.32520s) stopped
T12 >> 1462297282.92695189 Atomic (1087.68631s) started
T12 >> 1462297282.92873812 XC Correction (0.01500s) started
T12 << 1462297282.92875290 XC Correction (0.01501s) stopped
T12 << 1462297285.31705594 Atomic (1090.07642s) stopped
T12 >> 1462297285.31719208 Communicate (4908.34182s) started
T12 << 1462297300.22623992 Communicate (4923.25087s) stopped
T12 << 1462297300.22628307 Hamiltonian (21907.96079s) stopped
T12 >> 1462297300.22631001 LCAO eigensolver (31322.35473s) started
T12 >> 1462297300.22632408 Potential matrix (470.72521s) started
T12 << 1462297301.19306588 Potential matrix (471.69195s) stopped
T12 >> 1462297301.19315100 DistributedAtomicCorrection (191.36519s) started
T12 << 1462297301.63798094 DistributedAtomicCorrection (191.81002s) stopped
T12 >> 1462297301.63804507 Distribute overlap matrix (3526.42552s) started
T12 >> 1462297301.63806891 blocked summation (1970.68126s) started
T12 << 1462297306.07900691 blocked summation (1975.12220s) stopped
T12 >> 1462297306.08900905 Scalapack redistribute (1550.96319s) started
T12 << 1462297309.62964296 Scalapack redistribute (1554.50382s) stopped
T12 << 1462297309.62976098 Distribute overlap matrix (3534.41723s) stopped
T12 >> 1462297309.63406706 Blacs Orbital Layouts (26275.67583s) started
T12 >> 1462297309.64298701 General diagonalize (26169.73265s) started
T12 << 1462297362.61073208 General diagonalize (26222.70040s) stopped
T12 >> 1462297362.61078095 Redistribute coefs (3.93736s) started
T12 << 1462297362.61968493 Redistribute coefs (3.94627s) stopped
T12 >> 1462297362.61975408 Send coefs to domains (97.58163s) started
T12 << 1462297362.97526312 Send coefs to domains (97.93714s) stopped
T12 << 1462297362.97584510 Blacs Orbital Layouts (26329.01761s) stopped
T12 >> 1462297362.97587395 Calculate projections (855.77672s) started
T12 << 1462297364.74962592 Calculate projections (857.55047s) stopped
T12 << 1462297364.75010991 LCAO eigensolver (31386.87853s) stopped
T12 >> 1462297367.84515309 Density (7490.16583s) started
T12 >> 1462297367.84516811 Pseudo density (5794.59024s) started
T12 >> 1462297367.84711194 Calculate density matrix (5444.72208s) started
T12 << 1462297379.73344207 Calculate density matrix (5456.60841s) stopped
T12 >> 1462297379.73348999 Construct density (340.65952s) started
T12 << 1462297380.49697900 Construct density (341.42301s) stopped
T12 >> 1462297380.51203203 Symmetrize density (0.03878s) started
T12 << 1462297380.51209998 Symmetrize density (0.03885s) stopped
T12 << 1462297380.51422095 Pseudo density (5807.25929s) stopped
T12 >> 1462297380.51427889 Atomic density matrices (1493.97640s) started
T12 << 1462297383.93129206 Atomic density matrices (1497.39342s) stopped
T12 >> 1462297383.93132591 Multipole moments (5.13039s) started
T12 << 1462297383.94509292 Multipole moments (5.14415s) stopped
T12 >> 1462297383.94512296 Normalize (3.09776s) started
T12 << 1462297383.95154810 Normalize (3.10419s) stopped
T12 >> 1462297383.95163989 Mix (193.33566s) started
T12 << 1462297384.36592698 Mix (193.74994s) stopped
T12 << 1462297384.36599112 Density (7506.68667s) stopped
T12 >> 1462297384.36601996 Hamiltonian (21907.96080s) started
T12 >> 1462297384.36603689 vbar (12.34164s) started
T12 << 1462297384.39020491 vbar (12.36581s) stopped
T12 >> 1462297384.39034390 XC 3D grid (12913.50996s) started
T12 >> 1462297384.90086794 van der Waals (12474.92591s) started
T12 >> 1462297385.01032996 semilocal (2631.15251s) started
T12 << 1462297390.78231502 semilocal (2636.92449s) stopped
T12 >> 1462297390.85522389 redistribute (1349.76415s) started
T12 << 1462297391.88099194 redistribute (1350.78992s) stopped
T12 >> 1462297391.88103294 libvdwxc nonlocal (8406.99221s) started
T12 << 1462297410.39635706 libvdwxc nonlocal (8425.50754s) stopped
T12 >> 1462297410.39641809 redistribute (1350.78995s) started
T12 << 1462297412.07879210 redistribute (1352.47232s) stopped
T12 << 1462297412.07980800 van der Waals (12502.10485s) stopped
T12 << 1462297412.53856611 XC 3D grid (12941.65818s) stopped
T12 >> 1462297412.53862190 Poisson (2800.26836s) started
T12 << 1462297417.07588100 Poisson (2804.80562s) stopped
T12 >> 1462297417.07596993 Hartree integrate/restrict (168.32525s) started
T12 << 1462297417.12814498 Hartree integrate/restrict (168.37743s) stopped
T12 >> 1462297417.12819409 Hartree integrate/restrict (168.37746s) started
T12 << 1462297417.45234799 Hartree integrate/restrict (168.70161s) stopped
T12 >> 1462297417.45243192 Atomic (1090.07644s) started
T12 >> 1462297417.45418000 XC Correction (0.01502s) started
T12 << 1462297417.45420003 XC Correction (0.01504s) stopped
T12 << 1462297419.83613801 Atomic (1092.46015s) stopped
T12 >> 1462297419.83624911 Communicate (4923.25090s) started
T12 << 1462297434.74056506 Communicate (4938.15522s) stopped
T12 << 1462297434.74060011 Hamiltonian (21958.33538s) stopped
T12 >> 1462297434.74062610 LCAO eigensolver (31386.87855s) started
T12 >> 1462297434.74063897 Potential matrix (471.69200s) started
T12 << 1462297435.70480204 Potential matrix (472.65616s) stopped
T12 >> 1462297435.70487094 DistributedAtomicCorrection (191.81006s) started
T12 << 1462297436.14584708 DistributedAtomicCorrection (192.25104s) stopped
T12 >> 1462297436.14590812 Distribute overlap matrix (3534.41724s) started
T12 >> 1462297436.14593005 blocked summation (1975.12225s) started
T12 << 1462297440.59096408 blocked summation (1979.56729s) stopped
T12 >> 1462297440.60106707 Scalapack redistribute (1554.50389s) started
T12 << 1462297444.05265594 Scalapack redistribute (1557.95548s) stopped
T12 << 1462297444.05275798 Distribute overlap matrix (3542.32409s) stopped
T12 >> 1462297444.05699396 Blacs Orbital Layouts (26329.01763s) started
T12 >> 1462297444.06589794 General diagonalize (26222.70044s) started
T12 << 1462297496.75029397 General diagonalize (26275.38483s) stopped
T12 >> 1462297496.75033998 Redistribute coefs (3.94632s) started
T12 << 1462297496.75817895 Redistribute coefs (3.95416s) stopped
T12 >> 1462297496.75822091 Send coefs to domains (97.93717s) started
T12 << 1462297496.97798800 Send coefs to domains (98.15694s) stopped
T12 << 1462297496.97840095 Blacs Orbital Layouts (26381.93904s) stopped
T12 >> 1462297496.97842908 Calculate projections (857.55053s) started
T12 << 1462297498.74759603 Calculate projections (859.31969s) stopped
T12 << 1462297498.74794698 LCAO eigensolver (31450.88587s) stopped
T12 >> 1462297501.89398098 Density (7506.68668s) started
T12 >> 1462297501.89399505 Pseudo density (5807.25934s) started
T12 >> 1462297501.89587092 Calculate density matrix (5456.60844s) started
T12 << 1462297513.82020807 Calculate density matrix (5468.53278s) stopped
T12 >> 1462297513.82025504 Construct density (341.42306s) started
T12 << 1462297514.58428001 Construct density (342.18708s) stopped
T12 >> 1462297514.59936309 Symmetrize density (0.03889s) started
T12 << 1462297514.59942794 Symmetrize density (0.03895s) stopped
T12 << 1462297514.60150504 Pseudo density (5819.96685s) stopped
T12 >> 1462297514.60156202 Atomic density matrices (1497.39344s) started
T12 << 1462297518.00193095 Atomic density matrices (1500.79381s) stopped
T12 >> 1462297518.00196409 Multipole moments (5.14417s) started
T12 << 1462297518.01531410 Multipole moments (5.15752s) stopped
T12 >> 1462297518.01534390 Normalize (3.10426s) started
T12 << 1462297518.02150393 Normalize (3.11042s) stopped
T12 >> 1462297518.02160192 Mix (193.75001s) started
T12 << 1462297518.41959095 Mix (194.14800s) stopped
T12 << 1462297518.41965199 Density (7523.21236s) stopped
T12 >> 1462297518.41967893 Hamiltonian (21958.33539s) started
T12 >> 1462297518.41969299 vbar (12.36588s) started
T12 << 1462297518.44111300 vbar (12.38730s) stopped
T12 >> 1462297518.44120789 XC 3D grid (12941.65823s) started
T12 >> 1462297519.00909996 van der Waals (12502.10488s) started
T12 >> 1462297519.11883497 semilocal (2636.92459s) started
T12 << 1462297524.84154701 semilocal (2642.64730s) stopped
T12 >> 1462297524.92009211 redistribute (1352.47238s) started
T12 << 1462297526.00925493 redistribute (1353.56154s) stopped
T12 >> 1462297526.00932193 libvdwxc nonlocal (8425.50758s) started
T12 << 1462297544.56598711 libvdwxc nonlocal (8444.06425s) stopped
T12 >> 1462297544.56605411 redistribute (1353.56160s) started
T12 << 1462297547.34532905 redistribute (1356.34087s) stopped
T12 << 1462297547.34648490 van der Waals (12530.44226s) stopped
T12 << 1462297547.81073189 XC 3D grid (12971.02775s) stopped
T12 >> 1462297547.81077409 Poisson (2804.80568s) started
T12 << 1462297552.16759109 Poisson (2809.16250s) stopped
T12 >> 1462297552.16766191 Hartree integrate/restrict (168.70165s) started
T12 << 1462297552.21131992 Hartree integrate/restrict (168.74531s) stopped
T12 >> 1462297552.21136999 Hartree integrate/restrict (168.74534s) started
T12 << 1462297552.52898192 Hartree integrate/restrict (169.06296s) stopped
T12 >> 1462297552.52905202 Atomic (1092.46017s) started
T12 >> 1462297552.53071594 XC Correction (0.01505s) started
T12 << 1462297552.53073311 XC Correction (0.01507s) stopped
T12 << 1462297554.91258502 Atomic (1094.84370s) stopped
T12 >> 1462297554.91268396 Communicate (4938.15524s) started
T12 << 1462297569.82948089 Communicate (4953.07204s) stopped
T12 << 1462297569.82951689 Hamiltonian (22009.74523s) stopped
T12 >> 1462297569.82954311 LCAO eigensolver (31450.88589s) started
T12 >> 1462297569.82955599 Potential matrix (472.65620s) started
T12 << 1462297570.80659890 Potential matrix (473.63325s) stopped
T12 >> 1462297570.80668211 DistributedAtomicCorrection (192.25108s) started
T12 << 1462297571.24129009 DistributedAtomicCorrection (192.68569s) stopped
T12 >> 1462297571.24135208 Distribute overlap matrix (3542.32411s) started
T12 >> 1462297571.24137306 blocked summation (1979.56732s) started
T12 << 1462297575.61354899 blocked summation (1983.93949s) stopped
T12 >> 1462297575.62278199 Scalapack redistribute (1557.95554s) started
T12 << 1462297579.18553400 Scalapack redistribute (1561.51829s) stopped
T12 << 1462297579.18560696 Distribute overlap matrix (3550.26836s) stopped
T12 >> 1462297579.18993402 Blacs Orbital Layouts (26381.93906s) started
T12 >> 1462297579.19833493 General diagonalize (26275.38487s) started
T12 << 1462297632.18244100 General diagonalize (26328.36898s) stopped
T12 >> 1462297632.18249202 Redistribute coefs (3.95419s) started
T12 << 1462297632.19154811 Redistribute coefs (3.96325s) stopped
T12 >> 1462297632.19159603 Send coefs to domains (98.15697s) started
T12 << 1462297632.27135897 Send coefs to domains (98.23673s) stopped
T12 << 1462297632.27186394 Blacs Orbital Layouts (26435.02099s) stopped
T12 >> 1462297632.27189207 Calculate projections (859.31974s) started
T12 << 1462297634.05289793 Calculate projections (861.10075s) stopped
T12 << 1462297634.05312490 LCAO eigensolver (31515.10947s) stopped
T12 >> 1462297637.16697693 Density (7523.21237s) started
T12 >> 1462297637.16699290 Pseudo density (5819.96690s) started
T12 >> 1462297637.17010498 Calculate density matrix (5468.53282s) started
T12 << 1462297648.96668696 Calculate density matrix (5480.32940s) stopped
T12 >> 1462297648.96674395 Construct density (342.18713s) started
T12 << 1462297649.73343301 Construct density (342.95382s) stopped
T12 >> 1462297649.74976301 Symmetrize density (0.03897s) started
T12 << 1462297649.74984407 Symmetrize density (0.03905s) stopped
T12 << 1462297649.75230002 Pseudo density (5832.55220s) stopped
T12 >> 1462297649.75236702 Atomic density matrices (1500.79384s) started
T12 << 1462297653.14659309 Atomic density matrices (1504.18806s) stopped
T12 >> 1462297653.14663196 Multipole moments (5.15753s) started
T12 << 1462297653.16045094 Multipole moments (5.17135s) stopped
T12 >> 1462297653.16048408 Normalize (3.11050s) started
T12 << 1462297653.16945291 Normalize (3.11947s) stopped
T12 >> 1462297653.16952205 Mix (194.14806s) started
T12 << 1462297653.63785791 Mix (194.61639s) stopped
T12 << 1462297653.63790393 Density (7539.68330s) stopped
T12 >> 1462297653.63792801 Hamiltonian (22009.74524s) started
T12 >> 1462297653.63794303 vbar (12.38736s) started
T12 << 1462297653.65984511 vbar (12.40926s) stopped
T12 >> 1462297653.65997005 XC 3D grid (12971.02778s) started
T12 >> 1462297654.29250312 van der Waals (12530.44228s) started
T12 >> 1462297654.40776300 semilocal (2642.64738s) started
T12 << 1462297660.23330402 semilocal (2648.47293s) stopped
T12 >> 1462297660.30778694 redistribute (1356.34093s) started
T12 << 1462297661.26224208 redistribute (1357.29538s) stopped
T12 >> 1462297661.26229405 libvdwxc nonlocal (8444.06430s) started
T12 << 1462297679.23246408 libvdwxc nonlocal (8462.03447s) stopped
T12 >> 1462297679.23254704 redistribute (1357.29542s) started
T12 << 1462297682.18066597 redistribute (1360.24354s) stopped
T12 << 1462297682.18164611 van der Waals (12558.33143s) stopped
T12 << 1462297682.64635205 XC 3D grid (13000.01416s) stopped
T12 >> 1462297682.64641905 Poisson (2809.16256s) started
T12 << 1462297685.66886806 Poisson (2812.18500s) stopped
T12 >> 1462297685.66898894 Hartree integrate/restrict (169.06299s) started
T12 << 1462297685.71066594 Hartree integrate/restrict (169.10466s) stopped
T12 >> 1462297685.71074796 Hartree integrate/restrict (169.10472s) started
T12 << 1462297686.12823296 Hartree integrate/restrict (169.52220s) stopped
T12 >> 1462297686.12832808 Atomic (1094.84373s) started
T12 >> 1462297686.13016605 XC Correction (0.01508s) started
T12 << 1462297686.13018489 XC Correction (0.01510s) stopped
T12 << 1462297688.49755907 Atomic (1097.21296s) stopped
T12 >> 1462297688.49765396 Communicate (4953.07206s) started
T12 << 1462297703.43364501 Communicate (4968.00805s) stopped
T12 << 1462297703.43368292 Hamiltonian (22059.54100s) stopped
T12 >> 1462297703.43370891 LCAO eigensolver (31515.10949s) started
T12 >> 1462297703.43372297 Potential matrix (473.63330s) started
T12 << 1462297704.39783001 Potential matrix (474.59740s) stopped
T12 >> 1462297704.39791298 DistributedAtomicCorrection (192.68573s) started
T12 << 1462297704.83588290 DistributedAtomicCorrection (193.12370s) stopped
T12 >> 1462297704.83594608 Distribute overlap matrix (3550.26838s) started
T12 >> 1462297704.83596992 blocked summation (1983.93952s) started
T12 << 1462297709.18181992 blocked summation (1988.28537s) stopped
T12 >> 1462297709.19082093 Scalapack redistribute (1561.51833s) started
T12 << 1462297712.69228697 Scalapack redistribute (1565.01979s) stopped
T12 << 1462297712.69236803 Distribute overlap matrix (3558.12480s) stopped
T12 >> 1462297712.69729090 Blacs Orbital Layouts (26435.02101s) started
T12 >> 1462297712.70648694 General diagonalize (26328.36902s) started
T12 << 1462297768.00389504 General diagonalize (26383.66642s) stopped
T12 >> 1462297768.00394702 Redistribute coefs (3.96328s) started
T12 << 1462297768.01267004 Redistribute coefs (3.97201s) stopped
T12 >> 1462297768.01271796 Send coefs to domains (98.23677s) started
T12 << 1462297768.58630991 Send coefs to domains (98.81037s) stopped
T12 << 1462297768.58697200 Blacs Orbital Layouts (26490.91069s) stopped
T12 >> 1462297768.58700109 Calculate projections (861.10080s) started
T12 << 1462297770.36711907 Calculate projections (862.88092s) stopped
T12 << 1462297770.36732888 LCAO eigensolver (31582.04311s) stopped
T12 << 1462297773.48222089 SCF-cycle (62746.61054s) stopped
T12 >> 1462297775.55365705 Force calculation (2662.74761s) started
T12 >> 1462297775.55375099 LCAO forces (2633.83494s) started
T12 >> 1462297775.55414009 Initial (0.00078s) started
T12 << 1462297775.55415201 Initial (0.00079s) stopped
T12 >> 1462297775.56076908 Get density matrix (1385.19108s) started
T12 << 1462297784.71210694 Get density matrix (1394.34241s) stopped
T12 >> 1462297784.71218109 Potential (208.74562s) started
T12 << 1462297790.79320788 Potential (214.82664s) stopped
T12 >> 1462297790.79326510 Get density matrix (1394.34248s) started
T12 << 1462297821.77815294 Get density matrix (1425.32736s) stopped
T12 >> 1462297821.77822208 Prepare TCI loop (73.02907s) started
T12 >> 1462297821.77880812 Get neighbors (66.00779s) started
T12 << 1462297823.78988791 Get neighbors (68.01887s) stopped
T12 >> 1462297823.79070807 broadcast dH (6.98358s) started
T12 << 1462297823.97162104 broadcast dH (7.16450s) stopped
T12 << 1462297823.97166991 Prepare TCI loop (75.22252s) stopped
T12 >> 1462297823.97168994 Not so complicated loop (4.04804s) started
T12 << 1462297824.09402800 Not so complicated loop (4.17037s) stopped
T12 >> 1462297824.21782088 Complicated loop (628.35599s) started
T12 << 1462297843.43112993 Complicated loop (647.56930s) stopped
T12 >> 1462297843.43215394 Wait for sum (330.11027s) started
T12 << 1462297852.69684505 Wait for sum (339.37496s) stopped
T12 << 1462297852.69688392 LCAO forces (2710.97808s) stopped
T12 << 1462297853.59130192 Force calculation (2740.78525s) stopped
T12 >> 1462297853.60940599 Initialization (4398.36511s) started
T12 << 1462297853.60958099 Initialization (4398.36529s) stopped
T12 >> 1462297853.60981703 Initialization (4398.36530s) started
T12 << 1462297853.60995197 Initialization (4398.36544s) stopped
T12 >> 1462297853.61009097 Initialization (4398.36545s) started
T12 << 1462297853.61022305 Initialization (4398.36559s) stopped
T12 >> 1462297873.87861991 Initialization (4398.36561s) started
T12 >> 1462297874.05165100 Basic WFS set positions (3.07152s) started
T12 >> 1462297874.05167603 Redistribute (0.01193s) started
T12 << 1462297874.05180907 Redistribute (0.01207s) stopped
T12 << 1462297874.14355206 Basic WFS set positions (3.16342s) stopped
T12 >> 1462297874.14357901 Basis functions set positions (63.29103s) started
T12 << 1462297876.03560305 Basis functions set positions (65.18305s) stopped
T12 >> 1462297876.03609800 TCI: Calculate S, T, P (529.79094s) started
T12 << 1462297891.60914707 TCI: Calculate S, T, P (545.36399s) stopped
T12 >> 1462297891.60920811 blocked summation (768.31789s) started
T12 << 1462297916.85701203 blocked summation (793.56569s) stopped
T12 >> 1462297916.86625290 Scalapack redistribute (304.87160s) started
T12 << 1462297927.15651488 Scalapack redistribute (315.16186s) stopped
T12 >> 1462297927.15760589 blocked summation (793.56573s) started
T12 << 1462297928.15138698 blocked summation (794.55951s) stopped
T12 >> 1462297928.16007590 Scalapack redistribute (315.16193s) started
T12 << 1462297928.47418904 Scalapack redistribute (315.47605s) stopped
T12 >> 1462297928.47655511 Redistribute (0.09251s) started
T12 << 1462297928.47712493 Redistribute (0.09308s) stopped
T12 >> 1462297930.18170905 Redistribute (0.09310s) started
T12 << 1462297930.18219399 Redistribute (0.09359s) stopped
T12 >> 1462297930.20754409 LCAO WFS Initialize (2658.68723s) started
T12 >> 1462297930.20762110 Density initialize from wavefunctions (499.57535s) started
T12 >> 1462297930.21209192 Calculate density matrix (346.65711s) started
T12 << 1462297940.00463009 Calculate density matrix (356.44965s) stopped
T12 >> 1462297940.00472593 Construct density (26.16353s) started
T12 << 1462297940.76936889 Construct density (26.92817s) stopped
T12 >> 1462297940.78365588 Symmetrize density (0.00281s) started
T12 << 1462297940.78372002 Symmetrize density (0.00287s) stopped
T12 << 1462297944.58712292 Density initialize from wavefunctions (513.95485s) stopped
T12 >> 1462297944.58741212 Hamiltonian (2158.18809s) started
T12 >> 1462297944.58743000 vbar (0.99931s) started
T12 << 1462297944.60866404 vbar (1.02054s) stopped
T12 >> 1462297944.60875511 XC 3D grid (1032.17901s) started
T12 >> 1462297945.21113801 van der Waals (997.40188s) started
T12 >> 1462297945.32978201 semilocal (208.65272s) started
T12 << 1462297951.12558603 semilocal (214.44852s) stopped
T12 >> 1462297951.21255803 redistribute (117.72788s) started
T12 << 1462297952.17822909 redistribute (118.69355s) stopped
T12 >> 1462297952.17829394 libvdwxc nonlocal (664.15301s) started
T12 << 1462297970.48093295 libvdwxc nonlocal (682.45565s) stopped
T12 >> 1462297970.48100400 redistribute (118.69360s) started
T12 << 1462297972.52874398 redistribute (120.74134s) stopped
T12 << 1462297972.52997494 van der Waals (1024.72072s) stopped
T12 << 1462297972.99754190 XC 3D grid (1060.56779s) stopped
T12 >> 1462297972.99759793 Poisson (550.85215s) started
T12 << 1462297984.69843197 Poisson (562.55299s) stopped
T12 >> 1462297984.69856811 Hartree integrate/restrict (13.32874s) started
T12 << 1462297984.74213505 Hartree integrate/restrict (13.37230s) stopped
T12 >> 1462297984.74230695 Hartree integrate/restrict (13.37242s) started
T12 << 1462297985.06087708 Hartree integrate/restrict (13.69099s) stopped
T12 >> 1462297985.06098890 Atomic (85.09341s) started
T12 >> 1462297985.06323004 XC Correction (0.00137s) started
T12 << 1462297985.06324911 XC Correction (0.00139s) stopped
T12 << 1462297987.45129895 Atomic (87.48372s) stopped
T12 >> 1462297987.45149493 Communicate (475.69480s) started
T12 << 1462298004.46948004 Communicate (492.71279s) stopped
T12 << 1462298004.46952295 Hamiltonian (2218.07020s) stopped
T12 << 1462298004.46953797 LCAO WFS Initialize (2732.94922s) stopped
T12 << 1462298004.48188400 Initialization (4528.96887s) stopped
T12 >> 1462298004.50840402 SCF-cycle (62746.61056s) started
T12 >> 1462298004.50844407 LCAO eigensolver (31582.04313s) started
T12 >> 1462298004.50845599 Potential matrix (474.59745s) started
T12 << 1462298005.47305012 Potential matrix (475.56204s) stopped
T12 >> 1462298005.47314405 DistributedAtomicCorrection (193.12374s) started
T12 << 1462298005.89406991 DistributedAtomicCorrection (193.54466s) stopped
T12 >> 1462298005.89411807 Distribute overlap matrix (3558.12481s) started
T12 >> 1462298005.89416099 blocked summation (1988.28541s) started
T12 << 1462298010.27382803 blocked summation (1992.66508s) stopped
T12 >> 1462298010.28280902 Scalapack redistribute (1565.01983s) started
T12 << 1462298013.63085794 Scalapack redistribute (1568.36788s) stopped
T12 << 1462298013.63096809 Distribute overlap matrix (3565.86166s) stopped
T12 >> 1462298013.63543391 Blacs Orbital Layouts (26490.91071s) started
T12 >> 1462298013.64461899 General diagonalize (26383.66647s) started
T12 << 1462298070.50967503 General diagonalize (26440.53152s) stopped
T12 >> 1462298070.50974989 Redistribute coefs (3.97205s) started
T12 << 1462298070.51870489 Redistribute coefs (3.98100s) stopped
T12 >> 1462298070.51875305 Send coefs to domains (98.81041s) started
T12 << 1462298070.97322798 Send coefs to domains (99.26488s) stopped
T12 << 1462298070.97365689 Blacs Orbital Layouts (26548.24893s) stopped
T12 >> 1462298070.97368693 Calculate projections (862.88098s) started
T12 << 1462298072.75231695 Calculate projections (864.65961s) stopped
T12 << 1462298072.75253296 LCAO eigensolver (31650.28722s) stopped
T12 >> 1462298075.86831498 Density (7539.68331s) started
T12 >> 1462298075.86833000 Pseudo density (5832.55226s) started
T12 >> 1462298075.87034011 Calculate density matrix (5480.32945s) started
T12 << 1462298088.14545608 Calculate density matrix (5492.60456s) stopped
T12 >> 1462298088.14551210 Construct density (342.95388s) started
T12 << 1462298088.91132498 Construct density (343.71969s) stopped
T12 >> 1462298088.92518806 Symmetrize density (0.03908s) started
T12 << 1462298088.92526388 Symmetrize density (0.03915s) stopped
T12 << 1462298088.92723489 Pseudo density (5845.61116s) stopped
T12 >> 1462298088.92730403 Atomic density matrices (1504.18809s) started
T12 << 1462298092.32008100 Atomic density matrices (1507.58087s) stopped
T12 >> 1462298092.32011700 Multipole moments (5.17137s) started
T12 << 1462298092.33450699 Multipole moments (5.18576s) stopped
T12 >> 1462298092.33453107 Normalize (3.11952s) started
T12 << 1462298092.34067392 Normalize (3.12566s) stopped
T12 >> 1462298092.34075904 Mix (194.61644s) started
T12 << 1462298092.68353605 Mix (194.95922s) stopped
T12 << 1462298092.68362403 Density (7556.49862s) stopped
T12 >> 1462298092.68365598 Hamiltonian (22059.54101s) started
T12 >> 1462298092.68367195 vbar (12.40933s) started
T12 << 1462298092.71293712 vbar (12.43860s) stopped
T12 >> 1462298092.71306491 XC 3D grid (13000.01422s) started
T12 >> 1462298093.23321795 van der Waals (12558.33146s) started
T12 >> 1462298093.35019302 semilocal (2648.47304s) started
T12 << 1462298099.09213591 semilocal (2654.21498s) stopped
T12 >> 1462298099.16781592 redistribute (1360.24361s) started
T12 << 1462298100.22119904 redistribute (1361.29699s) stopped
T12 >> 1462298100.22127199 libvdwxc nonlocal (8462.03453s) started
T12 << 1462298118.38278103 libvdwxc nonlocal (8480.19604s) stopped
T12 >> 1462298118.38283992 redistribute (1361.29705s) started
T12 << 1462298120.43311906 redistribute (1363.34733s) stopped
T12 << 1462298120.43431091 van der Waals (12585.53255s) stopped
T12 << 1462298120.89014697 XC 3D grid (13028.19130s) stopped
T12 >> 1462298120.89019704 Poisson (2812.18510s) started
T12 << 1462298125.32828593 Poisson (2816.62319s) stopped
T12 >> 1462298125.32838607 Hartree integrate/restrict (169.52224s) started
T12 << 1462298125.36710691 Hartree integrate/restrict (169.56096s) stopped
T12 >> 1462298125.36718893 Hartree integrate/restrict (169.56101s) started
T12 << 1462298125.83941507 Hartree integrate/restrict (170.03324s) stopped
T12 >> 1462298125.83952308 Atomic (1097.21298s) started
T12 >> 1462298125.84151793 XC Correction (0.01511s) started
T12 << 1462298125.84153295 XC Correction (0.01513s) stopped
T12 << 1462298128.17275190 Atomic (1099.54621s) stopped
T12 >> 1462298128.17296100 Communicate (4968.00808s) started
T12 << 1462298145.16176295 Communicate (4984.99688s) stopped
T12 << 1462298145.16180491 Hamiltonian (22112.01916s) stopped
T12 >> 1462298145.16183591 LCAO eigensolver (31650.28724s) started
T12 >> 1462298145.16184998 Potential matrix (475.56210s) started
T12 << 1462298146.13253808 Potential matrix (476.53278s) stopped
T12 >> 1462298146.13262510 DistributedAtomicCorrection (193.54470s) started
T12 << 1462298146.54887891 DistributedAtomicCorrection (193.96095s) stopped
T12 >> 1462298146.54892802 Distribute overlap matrix (3565.86168s) started
T12 >> 1462298146.54896212 blocked summation (1992.66513s) started
T12 << 1462298150.87623405 blocked summation (1996.99240s) stopped
T12 >> 1462298150.88532495 Scalapack redistribute (1568.36794s) started
T12 << 1462298154.37928700 Scalapack redistribute (1571.86191s) stopped
T12 << 1462298154.37940598 Distribute overlap matrix (3573.69216s) stopped
T12 >> 1462298154.38339090 Blacs Orbital Layouts (26548.24895s) started
T12 >> 1462298154.39198399 General diagonalize (26440.53159s) started
T12 << 1462298207.38605189 General diagonalize (26493.52566s) stopped
T12 >> 1462298207.38609791 Redistribute coefs (3.98104s) started
T12 << 1462298207.39435101 Redistribute coefs (3.98929s) stopped
T12 >> 1462298207.39439106 Send coefs to domains (99.26492s) started
T12 << 1462298207.95215988 Send coefs to domains (99.82269s) stopped
T12 << 1462298207.95281005 Blacs Orbital Layouts (26601.81837s) stopped
T12 >> 1462298207.95283794 Calculate projections (864.65966s) started
T12 << 1462298209.71948004 Calculate projections (866.42630s) stopped
T12 << 1462298209.71973705 LCAO eigensolver (31714.84514s) stopped
T12 >> 1462298212.83020401 Density (7556.49863s) started
T12 >> 1462298212.83021808 Pseudo density (5845.61122s) started
T12 >> 1462298212.83291793 Calculate density matrix (5492.60460s) started
T12 << 1462298224.68601704 Calculate density matrix (5504.45770s) stopped
T12 >> 1462298224.68606591 Construct density (343.71975s) started
T12 << 1462298225.45015693 Construct density (344.48384s) stopped
T12 >> 1462298225.46644497 Symmetrize density (0.03917s) started
T12 << 1462298225.46651506 Symmetrize density (0.03924s) stopped
T12 << 1462298225.46897507 Pseudo density (5858.24997s) stopped
T12 >> 1462298225.46903300 Atomic density matrices (1507.58090s) started
T12 << 1462298228.90783501 Atomic density matrices (1511.01970s) stopped
T12 >> 1462298228.90786695 Multipole moments (5.18578s) started
T12 << 1462298228.92254806 Multipole moments (5.20046s) stopped
T12 >> 1462298228.92257094 Normalize (3.12573s) started
T12 << 1462298228.92915106 Normalize (3.13231s) stopped
T12 >> 1462298228.92919302 Mix (194.95930s) started
T12 << 1462298229.30584002 Mix (195.33595s) stopped
T12 << 1462298229.30589199 Density (7572.97432s) stopped
T12 >> 1462298229.30591512 Hamiltonian (22112.01917s) started
T12 >> 1462298229.30592895 vbar (12.43867s) started
T12 << 1462298229.32833195 vbar (12.46107s) stopped
T12 >> 1462298229.32843208 XC 3D grid (13028.19134s) started
T12 >> 1462298229.88444901 van der Waals (12585.53258s) started
T12 >> 1462298229.99763393 semilocal (2654.21507s) started
T12 << 1462298235.83149695 semilocal (2660.04894s) stopped
T12 >> 1462298235.90610003 redistribute (1363.34739s) started
T12 << 1462298236.88072610 redistribute (1364.32201s) stopped
T12 >> 1462298236.88076997 libvdwxc nonlocal (8480.19608s) started
T12 << 1462298255.24383593 libvdwxc nonlocal (8498.55915s) stopped
T12 >> 1462298255.24389195 redistribute (1364.32205s) started
T12 << 1462298256.94742608 redistribute (1366.02558s) stopped
T12 << 1462298256.94855905 van der Waals (12612.59669s) stopped
T12 << 1462298257.41653800 XC 3D grid (13056.27944s) stopped
T12 >> 1462298257.41659904 Poisson (2816.62326s) started
T12 << 1462298266.02665496 Poisson (2825.23332s) stopped
T12 >> 1462298266.02672911 Hartree integrate/restrict (170.03329s) started
T12 << 1462298266.06907892 Hartree integrate/restrict (170.07564s) stopped
T12 >> 1462298266.06915092 Hartree integrate/restrict (170.07569s) started
T12 << 1462298266.38853502 Hartree integrate/restrict (170.39507s) stopped
T12 >> 1462298266.38865304 Atomic (1099.54624s) started
T12 >> 1462298266.39055800 XC Correction (0.01514s) started
T12 << 1462298266.39057302 XC Correction (0.01515s) stopped
T12 << 1462298268.76846194 Atomic (1101.92605s) stopped
T12 >> 1462298268.76865602 Communicate (4984.99691s) started
T12 << 1462298285.78279305 Communicate (5002.01104s) stopped
T12 << 1462298285.78283906 Hamiltonian (22168.49610s) stopped
T12 >> 1462298285.78286695 LCAO eigensolver (31714.84515s) started
T12 >> 1462298285.78288102 Potential matrix (476.53283s) started
T12 << 1462298286.75076795 Potential matrix (477.50072s) stopped
T12 >> 1462298286.75086093 DistributedAtomicCorrection (193.96099s) started
T12 << 1462298287.16809893 DistributedAtomicCorrection (194.37823s) stopped
T12 >> 1462298287.16814709 Distribute overlap matrix (3573.69217s) started
T12 >> 1462298287.16818094 blocked summation (1996.99244s) started
T12 << 1462298291.44784999 blocked summation (2001.27211s) stopped
T12 >> 1462298291.45738196 Scalapack redistribute (1571.86197s) started
T12 << 1462298294.87739611 Scalapack redistribute (1575.28199s) stopped
T12 << 1462298294.87751198 Distribute overlap matrix (3581.40153s) stopped
T12 >> 1462298294.88187599 Blacs Orbital Layouts (26601.81839s) started
T12 >> 1462298294.89068198 General diagonalize (26493.52569s) started
T12 << 1462298350.29351807 General diagonalize (26548.92853s) stopped
T12 >> 1462298350.29358506 Redistribute coefs (3.98932s) started
T12 << 1462298350.30218601 Redistribute coefs (3.99792s) stopped
T12 >> 1462298350.30222797 Send coefs to domains (99.82272s) started
T12 << 1462298350.38604689 Send coefs to domains (99.90654s) stopped
T12 << 1462298350.38670397 Blacs Orbital Layouts (26657.32322s) stopped
T12 >> 1462298350.38673210 Calculate projections (866.42638s) started
T12 << 1462298352.15531898 Calculate projections (868.19496s) stopped
T12 << 1462298352.15554690 LCAO eigensolver (31781.21783s) stopped
T12 >> 1462298355.27503300 Density (7572.97433s) started
T12 >> 1462298355.27504897 Pseudo density (5858.25002s) started
T12 >> 1462298355.27750206 Calculate density matrix (5504.45774s) started
T12 << 1462298367.17609596 Calculate density matrix (5516.35633s) stopped
T12 >> 1462298367.17614388 Construct density (344.48389s) started
T12 << 1462298367.94181490 Construct density (345.24956s) stopped
T12 >> 1462298367.95819712 Symmetrize density (0.03925s) started
T12 << 1462298367.95826411 Symmetrize density (0.03932s) stopped
T12 << 1462298367.96068811 Pseudo density (5870.93566s) stopped
T12 >> 1462298367.96074700 Atomic density matrices (1511.01972s) started
T12 << 1462298371.40474892 Atomic density matrices (1514.46373s) stopped
T12 >> 1462298371.40477991 Multipole moments (5.20047s) started
T12 << 1462298371.41898394 Multipole moments (5.21468s) stopped
T12 >> 1462298371.41900802 Normalize (3.13234s) started
T12 << 1462298371.42572093 Normalize (3.13905s) stopped
T12 >> 1462298371.42577195 Mix (195.33600s) started
T12 << 1462298371.83980393 Mix (195.75003s) stopped
T12 << 1462298371.83985090 Density (7589.53915s) stopped
T12 >> 1462298371.83987594 Hamiltonian (22168.49611s) started
T12 >> 1462298371.83989096 vbar (12.46114s) started
T12 << 1462298371.87203789 vbar (12.49328s) stopped
T12 >> 1462298371.87220407 XC 3D grid (13056.27949s) started
T12 >> 1462298372.35768390 van der Waals (12612.59671s) started
T12 >> 1462298372.47001505 semilocal (2660.04901s) started
T12 << 1462298378.23446202 semilocal (2665.81346s) stopped
T12 >> 1462298378.31298709 redistribute (1366.02561s) started
T12 << 1462298379.31641006 redistribute (1367.02904s) stopped
T12 >> 1462298379.31645393 libvdwxc nonlocal (8498.55919s) started
T12 << 1462298397.42057204 libvdwxc nonlocal (8516.66331s) stopped
T12 >> 1462298397.42063498 redistribute (1367.02907s) started
T12 << 1462298399.16418791 redistribute (1368.77262s) stopped
T12 << 1462298399.16528702 van der Waals (12639.40431s) stopped
T12 << 1462298399.61872697 XC 3D grid (13084.02602s) stopped
T12 >> 1462298399.61878705 Poisson (2825.23337s) started
T12 << 1462298406.82723308 Poisson (2832.44182s) stopped
T12 >> 1462298406.82731104 Hartree integrate/restrict (170.39513s) started
T12 << 1462298406.87051296 Hartree integrate/restrict (170.43833s) stopped
T12 >> 1462298406.87060094 Hartree integrate/restrict (170.43839s) started
T12 << 1462298407.18405199 Hartree integrate/restrict (170.75184s) stopped
T12 >> 1462298407.18415308 Atomic (1101.92607s) started
T12 >> 1462298407.18586802 XC Correction (0.01517s) started
T12 << 1462298407.18588209 XC Correction (0.01518s) stopped
T12 << 1462298409.58365893 Atomic (1104.32558s) stopped
T12 >> 1462298409.58382106 Communicate (5002.01108s) started
T12 << 1462298426.61289191 Communicate (5019.04015s) stopped
T12 << 1462298426.61292911 Hamiltonian (22223.26916s) stopped
T12 >> 1462298426.61295509 LCAO eigensolver (31781.21785s) started
T12 >> 1462298426.61296797 Potential matrix (477.50077s) started
T12 << 1462298427.57885790 Potential matrix (478.46666s) stopped
T12 >> 1462298427.57892704 DistributedAtomicCorrection (194.37827s) started
T12 << 1462298427.99846196 DistributedAtomicCorrection (194.79781s) stopped
T12 >> 1462298427.99850988 Distribute overlap matrix (3581.40155s) started
T12 >> 1462298427.99854207 blocked summation (2001.27216s) started
T12 << 1462298432.29064202 blocked summation (2005.56426s) stopped
T12 >> 1462298432.30022812 Scalapack redistribute (1575.28204s) started
T12 << 1462298435.74370408 Scalapack redistribute (1578.72552s) stopped
T12 << 1462298435.74381304 Distribute overlap matrix (3589.14685s) stopped
T12 >> 1462298435.74846792 Blacs Orbital Layouts (26657.32324s) started
T12 >> 1462298435.75718498 General diagonalize (26548.92859s) started
T12 << 1462298488.41548109 General diagonalize (26601.58688s) stopped
T12 >> 1462298488.41552711 Redistribute coefs (3.99796s) started
T12 << 1462298488.42386794 Redistribute coefs (4.00630s) stopped
T12 >> 1462298488.42391205 Send coefs to domains (99.90657s) started
T12 << 1462298488.50523710 Send coefs to domains (99.98790s) stopped
T12 << 1462298488.50558710 Blacs Orbital Layouts (26710.08035s) stopped
T12 >> 1462298488.50561500 Calculate projections (868.19501s) started
T12 << 1462298490.27380896 Calculate projections (869.96321s) stopped
T12 << 1462298490.27416706 LCAO eigensolver (31844.87907s) stopped
T12 >> 1462298493.39727211 Density (7589.53916s) started
T12 >> 1462298493.39728594 Pseudo density (5870.93571s) started
T12 >> 1462298493.39962292 Calculate density matrix (5516.35636s) started
T12 << 1462298505.20721102 Calculate density matrix (5528.16395s) stopped
T12 >> 1462298505.20725894 Construct density (345.24962s) started
T12 << 1462298505.97285604 Construct density (346.01521s) stopped
T12 >> 1462298505.98892212 Symmetrize density (0.03934s) started
T12 << 1462298505.98899198 Symmetrize density (0.03941s) stopped
T12 << 1462298505.99142408 Pseudo density (5883.52985s) stopped
T12 >> 1462298505.99148297 Atomic density matrices (1514.46375s) started
T12 << 1462298509.41369390 Atomic density matrices (1517.88596s) stopped
T12 >> 1462298509.41372490 Multipole moments (5.21469s) started
T12 << 1462298509.42814112 Multipole moments (5.22911s) stopped
T12 >> 1462298509.42817307 Normalize (3.13909s) started
T12 << 1462298509.43587494 Normalize (3.14679s) stopped
T12 >> 1462298509.43592596 Mix (195.75008s) started
T12 << 1462298509.85396695 Mix (196.16812s) stopped
T12 << 1462298509.85400891 Density (7605.99590s) stopped
T12 >> 1462298509.85403299 Hamiltonian (22223.26917s) started
T12 >> 1462298509.85404801 vbar (12.49338s) started
T12 << 1462298509.88260198 vbar (12.52193s) stopped
T12 >> 1462298509.88267708 XC 3D grid (13084.02607s) started
T12 >> 1462298510.36333704 van der Waals (12639.40434s) started
T12 >> 1462298510.47717690 semilocal (2665.81355s) started
T12 << 1462298516.29974699 semilocal (2671.63612s) stopped
T12 >> 1462298516.37601495 redistribute (1368.77268s) started
T12 << 1462298517.32586098 redistribute (1369.72253s) stopped
T12 >> 1462298517.32590294 libvdwxc nonlocal (8516.66335s) started
T12 << 1462298535.81646299 libvdwxc nonlocal (8535.15391s) stopped
T12 >> 1462298535.81652498 redistribute (1369.72256s) started
T12 << 1462298537.63833690 redistribute (1371.54437s) stopped
T12 << 1462298537.63957906 van der Waals (12666.68058s) stopped
T12 << 1462298538.09849501 XC 3D grid (13112.24188s) stopped
T12 >> 1462298538.09853411 Poisson (2832.44187s) started
T12 << 1462298543.89248300 Poisson (2838.23582s) stopped
T12 >> 1462298543.89259005 Hartree integrate/restrict (170.75190s) started
T12 << 1462298543.93218303 Hartree integrate/restrict (170.79149s) stopped
T12 >> 1462298543.93227196 Hartree integrate/restrict (170.79155s) started
T12 << 1462298544.25207591 Hartree integrate/restrict (171.11135s) stopped
T12 >> 1462298544.25219297 Atomic (1104.32560s) started
T12 >> 1462298544.25419497 XC Correction (0.01519s) started
T12 << 1462298544.25422311 XC Correction (0.01522s) stopped
T12 << 1462298546.64573193 Atomic (1106.71914s) stopped
T12 >> 1462298546.64592409 Communicate (5019.04017s) started
T12 << 1462298563.00737309 Communicate (5035.40162s) stopped
T12 << 1462298563.00741792 Hamiltonian (22276.42256s) stopped
T12 >> 1462298563.00744510 LCAO eigensolver (31844.87908s) started
T12 >> 1462298563.00745893 Potential matrix (478.46670s) started
T12 << 1462298563.98675394 Potential matrix (479.44599s) stopped
T12 >> 1462298563.98685288 DistributedAtomicCorrection (194.79785s) started
T12 << 1462298564.41020298 DistributedAtomicCorrection (195.22120s) stopped
T12 >> 1462298564.41025209 Distribute overlap matrix (3589.14686s) started
T12 >> 1462298564.41028595 blocked summation (2005.56429s) started
T12 << 1462298568.70502591 blocked summation (2009.85903s) stopped
T12 >> 1462298568.71496701 Scalapack redistribute (1578.72558s) started
T12 << 1462298572.17553997 Scalapack redistribute (1582.18615s) stopped
T12 << 1462298572.17566204 Distribute overlap matrix (3596.91227s) stopped
T12 >> 1462298572.17999697 Blacs Orbital Layouts (26710.08037s) started
T12 >> 1462298572.18942690 General diagonalize (26601.58692s) started
T12 << 1462298625.66948795 General diagonalize (26655.06698s) stopped
T12 >> 1462298625.66955996 Redistribute coefs (4.00633s) started
T12 << 1462298625.67851305 Redistribute coefs (4.01528s) stopped
T12 >> 1462298625.67856312 Send coefs to domains (99.98793s) started
T12 << 1462298625.78083611 Send coefs to domains (100.09020s) stopped
T12 << 1462298625.78146100 Blacs Orbital Layouts (26763.68184s) stopped
T12 >> 1462298625.78149199 Calculate projections (869.96326s) started
T12 << 1462298627.56029892 Calculate projections (871.74206s) stopped
T12 << 1462298627.56072688 LCAO eigensolver (31909.43237s) stopped
T12 >> 1462298630.69366288 Density (7605.99591s) started
T12 >> 1462298630.69367790 Pseudo density (5883.52989s) started
T12 >> 1462298630.69594002 Calculate density matrix (5528.16399s) started
T12 << 1462298642.55944991 Calculate density matrix (5540.02750s) stopped
T12 >> 1462298642.55950594 Construct density (346.01526s) started
T12 << 1462298643.32378793 Construct density (346.77954s) stopped
T12 >> 1462298643.33777809 Symmetrize density (0.03943s) started
T12 << 1462298643.33785701 Symmetrize density (0.03951s) stopped
T12 << 1462298643.33997297 Pseudo density (5896.17619s) stopped
T12 >> 1462298643.34004092 Atomic density matrices (1517.88599s) started
T12 << 1462298646.76849103 Atomic density matrices (1521.31444s) stopped
T12 >> 1462298646.76852798 Multipole moments (5.22912s) started
T12 << 1462298646.78325510 Multipole moments (5.24385s) stopped
T12 >> 1462298646.78328896 Normalize (3.14683s) started
T12 << 1462298646.78941894 Normalize (3.15296s) stopped
T12 >> 1462298646.78952789 Mix (196.16816s) started
T12 << 1462298647.23708391 Mix (196.61572s) stopped
T12 << 1462298647.23713994 Density (7622.53939s) stopped
T12 >> 1462298647.23716688 Hamiltonian (22276.42257s) started
T12 >> 1462298647.23718309 vbar (12.52197s) started
T12 << 1462298647.25721407 vbar (12.54200s) stopped
T12 >> 1462298647.25733900 XC 3D grid (13112.24192s) started
T12 >> 1462298647.76628399 van der Waals (12666.68061s) started
T12 >> 1462298647.88372898 semilocal (2671.63624s) started
T12 << 1462298653.65886402 semilocal (2677.41137s) stopped
T12 >> 1462298653.73348093 redistribute (1371.54443s) started
T12 << 1462298654.80107307 redistribute (1372.61202s) stopped
T12 >> 1462298654.80115795 libvdwxc nonlocal (8535.15396s) started
T12 << 1462298673.16822791 libvdwxc nonlocal (8553.52103s) stopped
T12 >> 1462298673.16830206 redistribute (1372.61208s) started
T12 << 1462298675.18826008 redistribute (1374.63204s) stopped
T12 << 1462298675.18952608 van der Waals (12694.10385s) stopped
T12 << 1462298675.65595794 XC 3D grid (13140.64053s) stopped
T12 >> 1462298675.65600896 Poisson (2838.23590s) started
T12 << 1462298681.48746490 Poisson (2844.06736s) stopped
T12 >> 1462298681.48757792 Hartree integrate/restrict (171.11141s) started
T12 << 1462298681.52734709 Hartree integrate/restrict (171.15118s) stopped
T12 >> 1462298681.52743793 Hartree integrate/restrict (171.15124s) started
T12 << 1462298681.84729791 Hartree integrate/restrict (171.47110s) stopped
T12 >> 1462298681.84741807 Atomic (1106.71917s) started
T12 >> 1462298681.84937096 XC Correction (0.01523s) started
T12 << 1462298681.84938598 XC Correction (0.01525s) stopped
T12 << 1462298684.24445200 Atomic (1109.11620s) stopped
T12 >> 1462298684.24463296 Communicate (5035.40165s) started
T12 << 1462298699.87131906 Communicate (5051.02834s) stopped
T12 << 1462298699.87136197 Hamiltonian (22329.05677s) stopped
T12 >> 1462298699.87138796 LCAO eigensolver (31909.43238s) started
T12 >> 1462298699.87140203 Potential matrix (479.44604s) started
T12 << 1462298700.85115910 Potential matrix (480.42580s) stopped
T12 >> 1462298700.85123897 DistributedAtomicCorrection (195.22124s) started
T12 << 1462298701.27533889 DistributedAtomicCorrection (195.64534s) stopped
T12 >> 1462298701.27540398 Distribute overlap matrix (3596.91229s) started
T12 >> 1462298701.27542996 blocked summation (2009.85907s) started
T12 << 1462298705.59514093 blocked summation (2014.17878s) stopped
T12 >> 1462298705.60465407 Scalapack redistribute (1582.18622s) started
T12 << 1462298708.97819591 Scalapack redistribute (1585.55976s) stopped
T12 << 1462298708.97831607 Distribute overlap matrix (3604.61520s) stopped
T12 >> 1462298708.98295999 Blacs Orbital Layouts (26763.68186s) started
T12 >> 1462298708.99194598 General diagonalize (26655.06704s) started
T12 << 1462298764.10672688 General diagonalize (26710.18182s) stopped
T12 >> 1462298764.10678005 Redistribute coefs (4.01532s) started
T12 << 1462298764.11585402 Redistribute coefs (4.02439s) stopped
T12 >> 1462298764.11590290 Send coefs to domains (100.09024s) started
T12 << 1462298764.49668002 Send coefs to domains (100.47102s) stopped
T12 << 1462298764.49717999 Blacs Orbital Layouts (26819.19608s) stopped
T12 >> 1462298764.49724889 Calculate projections (871.74212s) started
T12 << 1462298766.27794194 Calculate projections (873.52281s) stopped
T12 << 1462298766.27833200 LCAO eigensolver (31975.83933s) stopped
T12 >> 1462298769.37683201 Density (7622.53941s) started
T12 >> 1462298769.37684894 Pseudo density (5896.17624s) started
T12 >> 1462298769.37881207 Calculate density matrix (5540.02753s) started
T12 << 1462298781.44391108 Calculate density matrix (5552.09263s) stopped
T12 >> 1462298781.44396710 Construct density (346.77961s) started
T12 << 1462298782.21232009 Construct density (347.54796s) stopped
T12 >> 1462298782.22660089 Symmetrize density (0.03953s) started
T12 << 1462298782.22667694 Symmetrize density (0.03960s) stopped
T12 << 1462298782.22878504 Pseudo density (5909.02818s) stopped
T12 >> 1462298782.22885704 Atomic density matrices (1521.31446s) started
T12 << 1462298785.63617897 Atomic density matrices (1524.72178s) stopped
T12 >> 1462298785.63621902 Multipole moments (5.24387s) started
T12 << 1462298785.65025210 Multipole moments (5.25790s) stopped
T12 >> 1462298785.65028691 Normalize (3.15305s) started
T12 << 1462298785.65651202 Normalize (3.15927s) stopped
T12 >> 1462298785.65659809 Mix (196.61577s) started
T12 << 1462298786.07551503 Mix (197.03469s) stopped
T12 << 1462298786.07559109 Density (7639.23817s) stopped
T12 >> 1462298786.07562304 Hamiltonian (22329.05678s) started
T12 >> 1462298786.07563996 vbar (12.54207s) started
T12 << 1462298786.11136389 vbar (12.57780s) stopped
T12 >> 1462298786.11145711 XC 3D grid (13140.64057s) started
T12 >> 1462298786.64427209 van der Waals (12694.10388s) started
T12 >> 1462298786.76230001 semilocal (2677.41149s) started
T12 << 1462298792.57748008 semilocal (2683.22667s) stopped
T12 >> 1462298792.65513706 redistribute (1374.63210s) started
T12 << 1462298793.61220598 redistribute (1375.58916s) stopped
T12 >> 1462298793.61227989 libvdwxc nonlocal (8553.52109s) started
T12 << 1462298811.53863502 libvdwxc nonlocal (8571.44744s) stopped
T12 >> 1462298811.53869796 redistribute (1375.58922s) started
T12 << 1462298813.46104503 redistribute (1377.51157s) stopped
T12 << 1462298813.46247292 van der Waals (12720.92208s) stopped
T12 << 1462298813.91677904 XC 3D grid (13168.44589s) stopped
T12 >> 1462298813.91682696 Poisson (2844.06744s) started
T12 << 1462298818.44084311 Poisson (2848.59145s) stopped
T12 >> 1462298818.44091606 Hartree integrate/restrict (171.47116s) started
T12 << 1462298818.48204398 Hartree integrate/restrict (171.51229s) stopped
T12 >> 1462298818.48218799 Hartree integrate/restrict (171.51239s) started
T12 << 1462298818.79746699 Hartree integrate/restrict (171.82767s) stopped
T12 >> 1462298818.79756498 Atomic (1109.11623s) started
T12 >> 1462298818.79939103 XC Correction (0.01526s) started
T12 << 1462298818.79940701 XC Correction (0.01527s) stopped
T12 << 1462298821.21670294 Atomic (1111.53537s) stopped
T12 >> 1462298821.21687603 Communicate (5051.02837s) started
T12 << 1462298836.84498692 Communicate (5066.65648s) stopped
T12 << 1462298836.84502912 Hamiltonian (22379.82619s) stopped
T12 >> 1462298836.84505606 LCAO eigensolver (31975.83935s) started
T12 >> 1462298836.84506989 Potential matrix (480.42585s) started
T12 << 1462298837.82511497 Potential matrix (481.40589s) stopped
T12 >> 1462298837.82519698 DistributedAtomicCorrection (195.64538s) started
T12 << 1462298838.24562812 DistributedAtomicCorrection (196.06581s) stopped
T12 >> 1462298838.24569392 Distribute overlap matrix (3604.61521s) started
T12 >> 1462298838.24571800 blocked summation (2014.17882s) started
T12 << 1462298842.68313408 blocked summation (2018.61623s) stopped
T12 >> 1462298842.69317389 Scalapack redistribute (1585.55982s) started
T12 << 1462298845.85321212 Scalapack redistribute (1588.71986s) stopped
T12 << 1462298845.85330391 Distribute overlap matrix (3612.22282s) stopped
T12 >> 1462298845.85834098 Blacs Orbital Layouts (26819.19610s) started
T12 >> 1462298845.86724305 General diagonalize (26710.18187s) started
T12 << 1462298901.12627101 General diagonalize (26765.44089s) stopped
T12 >> 1462298901.12635398 Redistribute coefs (4.02443s) started
T12 << 1462298901.13508606 Redistribute coefs (4.03316s) stopped
T12 >> 1462298901.13515806 Send coefs to domains (100.47106s) started
T12 << 1462298901.95474100 Send coefs to domains (101.29064s) stopped
T12 << 1462298901.95523405 Blacs Orbital Layouts (26875.29299s) stopped
T12 >> 1462298901.95526195 Calculate projections (873.52287s) started
T12 << 1462298903.72302699 Calculate projections (875.29063s) stopped
T12 << 1462298903.72351003 LCAO eigensolver (32042.71780s) stopped
T12 >> 1462298906.84668899 Density (7639.23818s) started
T12 >> 1462298906.84670401 Pseudo density (5909.02824s) started
T12 >> 1462298906.84933090 Calculate density matrix (5552.09267s) started
T12 << 1462298919.01958489 Calculate density matrix (5564.26292s) stopped
T12 >> 1462298919.01963401 Construct density (347.54802s) started
T12 << 1462298919.78392005 Construct density (348.31230s) stopped
T12 >> 1462298919.80031610 Symmetrize density (0.03962s) started
T12 << 1462298919.80038309 Symmetrize density (0.03969s) stopped
T12 << 1462298919.80279303 Pseudo density (5921.98432s) stopped
T12 >> 1462298919.80285501 Atomic density matrices (1524.72181s) started
T12 << 1462298923.13865590 Atomic density matrices (1528.05762s) stopped
T12 >> 1462298923.13868999 Multipole moments (5.25792s) started
T12 << 1462298923.15342307 Multipole moments (5.27265s) stopped
T12 >> 1462298923.15345597 Normalize (3.15934s) started
T12 << 1462298923.16007090 Normalize (3.16595s) stopped
T12 >> 1462298923.16010904 Mix (197.03476s) started
T12 << 1462298923.62022805 Mix (197.49488s) stopped
T12 << 1462298923.62029696 Density (7656.01179s) stopped
T12 >> 1462298923.62032390 Hamiltonian (22379.82620s) started
T12 >> 1462298923.62033892 vbar (12.57785s) started
T12 << 1462298923.64207697 vbar (12.59959s) stopped
T12 >> 1462298923.64216995 XC 3D grid (13168.44593s) started
T12 >> 1462298924.23862290 van der Waals (12720.92212s) started
T12 >> 1462298924.34899592 semilocal (2683.22675s) started
T12 << 1462298930.15736103 semilocal (2689.03512s) stopped
T12 >> 1462298930.23340797 redistribute (1377.51161s) started
T12 << 1462298931.23058200 redistribute (1378.50879s) stopped
T12 >> 1462298931.23062491 libvdwxc nonlocal (8571.44749s) started
T12 << 1462298949.83342409 libvdwxc nonlocal (8590.05029s) stopped
T12 >> 1462298949.83348799 redistribute (1378.50882s) started
T12 << 1462298951.53310800 redistribute (1380.20844s) stopped
T12 << 1462298951.53439808 van der Waals (12748.21790s) stopped
T12 << 1462298951.99874997 XC 3D grid (13196.80251s) stopped
T12 >> 1462298951.99879289 Poisson (2848.59151s) started
T12 << 1462298956.37172389 Poisson (2852.96444s) stopped
T12 >> 1462298956.37179804 Hartree integrate/restrict (171.82772s) started
T12 << 1462298956.42040300 Hartree integrate/restrict (171.87632s) stopped
T12 >> 1462298956.42045689 Hartree integrate/restrict (171.87635s) started
T12 << 1462298956.81080699 Hartree integrate/restrict (172.26670s) stopped
T12 >> 1462298956.81090212 Atomic (1111.53539s) started
T12 >> 1462298956.81279302 XC Correction (0.01529s) started
T12 << 1462298956.81281590 XC Correction (0.01531s) stopped
T12 << 1462298959.24575496 Atomic (1113.97024s) stopped
T12 >> 1462298959.24589491 Communicate (5066.65651s) started
T12 << 1462298974.84037995 Communicate (5082.25099s) stopped
T12 << 1462298974.84041405 Hamiltonian (22431.04629s) stopped
T12 >> 1462298974.84043789 LCAO eigensolver (32042.71782s) started
T12 >> 1462298974.84045100 Potential matrix (481.40594s) started
T12 << 1462298975.81164408 Potential matrix (482.37713s) stopped
T12 >> 1462298975.81172395 DistributedAtomicCorrection (196.06585s) started
T12 << 1462298976.23123789 DistributedAtomicCorrection (196.48536s) stopped
T12 >> 1462298976.23130298 Distribute overlap matrix (3612.22284s) started
T12 >> 1462298976.23132491 blocked summation (2018.61627s) started
T12 << 1462298980.64291096 blocked summation (2023.02785s) stopped
T12 >> 1462298980.65228605 Scalapack redistribute (1588.71990s) started
T12 << 1462298983.96713996 Scalapack redistribute (1592.03475s) stopped
T12 << 1462298983.96724296 Distribute overlap matrix (3619.95878s) stopped
T12 >> 1462298983.97161698 Blacs Orbital Layouts (26875.29301s) started
T12 >> 1462298983.98015308 General diagonalize (26765.44096s) started
T12 << 1462299039.07001901 General diagonalize (26820.53083s) stopped
T12 >> 1462299039.07006407 Redistribute coefs (4.03322s) started
T12 << 1462299039.07859898 Redistribute coefs (4.04176s) stopped
T12 >> 1462299039.07867408 Send coefs to domains (101.29068s) started
T12 << 1462299039.31824303 Send coefs to domains (101.53025s) stopped
T12 << 1462299039.31880403 Blacs Orbital Layouts (26930.64020s) stopped
T12 >> 1462299039.31883192 Calculate projections (875.29068s) started
T12 << 1462299041.08788204 Calculate projections (877.05973s) stopped
T12 << 1462299041.08823299 LCAO eigensolver (32108.96562s) stopped
T12 >> 1462299044.19268298 Density (7656.01180s) started
T12 >> 1462299044.19269896 Pseudo density (5921.98438s) started
T12 >> 1462299044.19539189 Calculate density matrix (5564.26296s) started
T12 << 1462299056.08213902 Calculate density matrix (5576.14970s) stopped
T12 >> 1462299056.08218694 Construct density (348.31235s) started
T12 << 1462299056.84781504 Construct density (349.07798s) stopped
T12 >> 1462299056.86406302 Symmetrize density (0.03970s) started
T12 << 1462299056.86412692 Symmetrize density (0.03977s) stopped
T12 << 1462299056.86653090 Pseudo density (5934.65821s) stopped
T12 >> 1462299056.86658907 Atomic density matrices (1528.05764s) started
T12 << 1462299060.23274899 Atomic density matrices (1531.42380s) stopped
T12 >> 1462299060.23278308 Multipole moments (5.27267s) started
T12 << 1462299060.24694204 Multipole moments (5.28682s) stopped
T12 >> 1462299060.24697495 Normalize (3.16598s) started
T12 << 1462299060.25389194 Normalize (3.17290s) stopped
T12 >> 1462299060.25393295 Mix (197.49495s) started
T12 << 1462299060.71103191 Mix (197.95205s) stopped
T12 << 1462299060.71109390 Density (7672.53021s) stopped
T12 >> 1462299060.71112108 Hamiltonian (22431.04630s) started
T12 >> 1462299060.71113396 vbar (12.59964s) started
T12 << 1462299060.73218298 vbar (12.62069s) stopped
T12 >> 1462299060.73227501 XC 3D grid (13196.80254s) started
T12 >> 1462299061.37575006 van der Waals (12748.21794s) started
T12 >> 1462299061.49197602 semilocal (2689.03517s) started
T12 << 1462299067.30492806 semilocal (2694.84812s) stopped
T12 >> 1462299067.38440704 redistribute (1380.20847s) started
T12 << 1462299068.37603498 redistribute (1381.20010s) stopped
T12 >> 1462299068.37607908 libvdwxc nonlocal (8590.05034s) started
T12 << 1462299087.02715993 libvdwxc nonlocal (8608.70142s) stopped
T12 >> 1462299087.02722192 redistribute (1381.20014s) started
T12 << 1462299088.72694302 redistribute (1382.89986s) stopped
T12 << 1462299088.72812510 van der Waals (12775.57032s) stopped
T12 << 1462299089.19125795 XC 3D grid (13225.26153s) stopped
T12 >> 1462299089.19131494 Poisson (2852.96450s) started
T12 << 1462299093.72671390 Poisson (2857.49990s) stopped
T12 >> 1462299093.72685289 Hartree integrate/restrict (172.26675s) started
T12 << 1462299093.77562809 Hartree integrate/restrict (172.31553s) stopped
T12 >> 1462299093.77573895 Hartree integrate/restrict (172.31560s) started
T12 << 1462299094.08734989 Hartree integrate/restrict (172.62722s) stopped
T12 >> 1462299094.08744788 Atomic (1113.97027s) started
T12 >> 1462299094.08934093 XC Correction (0.01532s) started
T12 << 1462299094.08937192 XC Correction (0.01535s) stopped
T12 << 1462299096.48538208 Atomic (1116.36820s) stopped
T12 >> 1462299096.48550701 Communicate (5082.25101s) started
T12 << 1462299112.11866999 Communicate (5097.88418s) stopped
T12 << 1462299112.11870503 Hamiltonian (22482.45388s) stopped
T12 >> 1462299112.11873007 LCAO eigensolver (32108.96563s) started
T12 >> 1462299112.11874294 Potential matrix (482.37717s) started
T12 << 1462299113.10188198 Potential matrix (483.36031s) stopped
T12 >> 1462299113.10194206 DistributedAtomicCorrection (196.48540s) started
T12 << 1462299113.51798606 DistributedAtomicCorrection (196.90144s) stopped
T12 >> 1462299113.51804709 Distribute overlap matrix (3619.95879s) started
T12 >> 1462299113.51806808 blocked summation (2023.02789s) started
T12 << 1462299117.96289802 blocked summation (2027.47272s) stopped
T12 >> 1462299117.97238994 Scalapack redistribute (1592.03481s) started
T12 << 1462299121.29482508 Scalapack redistribute (1595.35724s) stopped
T12 << 1462299121.29494095 Distribute overlap matrix (3627.73568s) stopped
T12 >> 1462299121.29945707 Blacs Orbital Layouts (26930.64022s) started
T12 >> 1462299121.30801392 General diagonalize (26820.53086s) started
T12 << 1462299175.43922305 General diagonalize (26874.66207s) stopped
T12 >> 1462299175.43927002 Redistribute coefs (4.04182s) started
T12 << 1462299175.44761205 Redistribute coefs (4.05016s) stopped
T12 >> 1462299175.44765496 Send coefs to domains (101.53029s) started
T12 << 1462299175.57547498 Send coefs to domains (101.65811s) stopped
T12 << 1462299175.57593107 Blacs Orbital Layouts (26984.91669s) stopped
T12 >> 1462299175.57595801 Calculate projections (877.05978s) started
T12 << 1462299177.34463096 Calculate projections (878.82845s) stopped
T12 << 1462299177.34498692 LCAO eigensolver (32174.19189s) stopped
T12 >> 1462299180.47864008 Density (7672.53023s) started
T12 >> 1462299180.47865701 Pseudo density (5934.65825s) started
T12 >> 1462299180.48103690 Calculate density matrix (5576.14974s) started
T12 << 1462299192.75566602 Calculate density matrix (5588.42437s) stopped
T12 >> 1462299192.75571394 Construct density (349.07803s) started
T12 << 1462299193.52098894 Construct density (349.84330s) stopped
T12 >> 1462299193.53743291 Symmetrize density (0.03978s) started
T12 << 1462299193.53749895 Symmetrize density (0.03985s) stopped
T12 << 1462299193.53994012 Pseudo density (5947.71954s) stopped
T12 >> 1462299193.53999901 Atomic density matrices (1531.42382s) started
T12 << 1462299196.97239804 Atomic density matrices (1534.85622s) stopped
T12 >> 1462299196.97243190 Multipole moments (5.28684s) started
T12 << 1462299196.98709702 Multipole moments (5.30150s) stopped
T12 >> 1462299196.98712802 Normalize (3.17293s) started
T12 << 1462299196.99390888 Normalize (3.17971s) stopped
T12 >> 1462299196.99394703 Mix (197.95211s) started
T12 << 1462299197.40472698 Mix (198.36289s) stopped
T12 << 1462299197.40478396 Density (7689.45637s) stopped
T12 >> 1462299197.40481305 Hamiltonian (22482.45390s) started
T12 >> 1462299197.40482712 vbar (12.62075s) started
T12 << 1462299197.42797709 vbar (12.64390s) stopped
T12 >> 1462299197.42807794 XC 3D grid (13225.26157s) started
T12 >> 1462299198.02465296 van der Waals (12775.57035s) started
T12 >> 1462299198.13680911 semilocal (2694.84823s) started
T12 << 1462299203.87619495 semilocal (2700.58762s) stopped
T12 >> 1462299203.95420003 redistribute (1382.89990s) started
T12 << 1462299204.99713397 redistribute (1383.94283s) stopped
T12 >> 1462299204.99717498 libvdwxc nonlocal (8608.70147s) started
T12 << 1462299223.99406910 libvdwxc nonlocal (8627.69836s) stopped
T12 >> 1462299223.99413109 redistribute (1383.94287s) started
T12 << 1462299225.69805288 redistribute (1385.64679s) stopped
T12 << 1462299225.69928193 van der Waals (12803.24498s) stopped
T12 << 1462299226.16222095 XC 3D grid (13253.99572s) stopped
T12 >> 1462299226.16227388 Poisson (2857.50001s) started
T12 << 1462299229.16977906 Poisson (2860.50752s) stopped
T12 >> 1462299229.16986394 Hartree integrate/restrict (172.62727s) started
T12 << 1462299229.22597909 Hartree integrate/restrict (172.68338s) stopped
T12 >> 1462299229.22607708 Hartree integrate/restrict (172.68345s) started
T12 << 1462299229.56500697 Hartree integrate/restrict (173.02238s) stopped
T12 >> 1462299229.56510210 Atomic (1116.36822s) started
T12 >> 1462299229.56680894 XC Correction (0.01537s) started
T12 << 1462299229.56682491 XC Correction (0.01538s) stopped
T12 << 1462299231.97070503 Atomic (1118.77383s) stopped
T12 >> 1462299231.97083306 Communicate (5097.88420s) started
T12 << 1462299247.58556294 Communicate (5113.49893s) stopped
T12 << 1462299247.58560300 Hamiltonian (22532.63469s) stopped
T12 >> 1462299247.58562899 LCAO eigensolver (32174.19191s) started
T12 >> 1462299247.58564305 Potential matrix (483.36035s) started
T12 << 1462299248.56008101 Potential matrix (484.33478s) stopped
T12 >> 1462299248.56014800 DistributedAtomicCorrection (196.90148s) started
T12 << 1462299248.98240209 DistributedAtomicCorrection (197.32374s) stopped
T12 >> 1462299248.98246288 Distribute overlap matrix (3627.73570s) started
T12 >> 1462299248.98248506 blocked summation (2027.47275s) started
T12 << 1462299253.46358800 blocked summation (2031.95385s) stopped
T12 >> 1462299253.47295904 Scalapack redistribute (1595.35731s) started
T12 << 1462299256.72542500 Scalapack redistribute (1598.60978s) stopped
T12 << 1462299256.72553706 Distribute overlap matrix (3635.47877s) stopped
T12 >> 1462299256.73005605 Blacs Orbital Layouts (26984.91671s) started
T12 >> 1462299256.73864198 General diagonalize (26874.66211s) started
T12 << 1462299312.42764401 General diagonalize (26930.35112s) stopped
T12 >> 1462299312.42770100 Redistribute coefs (4.05019s) started
T12 << 1462299312.43691802 Redistribute coefs (4.05941s) stopped
T12 >> 1462299312.43696499 Send coefs to domains (101.65814s) started
T12 << 1462299312.53411794 Send coefs to domains (101.75529s) stopped
T12 << 1462299312.53460407 Blacs Orbital Layouts (27040.72126s) stopped
T12 >> 1462299312.53463411 Calculate projections (878.82851s) started
T12 << 1462299314.31401992 Calculate projections (880.60789s) stopped
T12 << 1462299314.31447101 LCAO eigensolver (32240.92075s) stopped
T12 >> 1462299317.43387699 Density (7689.45639s) started
T12 >> 1462299317.43389392 Pseudo density (5947.71959s) started
T12 >> 1462299317.43597007 Calculate density matrix (5588.42440s) started
T12 << 1462299329.25124002 Calculate density matrix (5600.23967s) stopped
T12 >> 1462299329.25129604 Construct density (349.84336s) started
T12 << 1462299330.01663208 Construct density (350.60869s) stopped
T12 >> 1462299330.03062510 Symmetrize density (0.03987s) started
T12 << 1462299330.03069901 Symmetrize density (0.03994s) stopped
T12 << 1462299330.03280401 Pseudo density (5960.31850s) stopped
T12 >> 1462299330.03287506 Atomic density matrices (1534.85625s) started
T12 << 1462299333.48147702 Atomic density matrices (1538.30485s) stopped
T12 >> 1462299333.48151398 Multipole moments (5.30152s) started
T12 << 1462299333.49626493 Multipole moments (5.31627s) stopped
T12 >> 1462299333.49630094 Normalize (3.17973s) started
T12 << 1462299333.50250506 Normalize (3.18594s) stopped
T12 >> 1462299333.50256991 Mix (198.36294s) started
T12 << 1462299333.95425892 Mix (198.81463s) stopped
T12 << 1462299333.95432305 Density (7705.97683s) stopped
T12 >> 1462299333.95435309 Hamiltonian (22532.63470s) started
T12 >> 1462299333.95436907 vbar (12.64396s) started
T12 << 1462299333.98010898 vbar (12.66970s) stopped
T12 >> 1462299333.98022103 XC 3D grid (13253.99576s) started
T12 >> 1462299334.49319291 van der Waals (12803.24501s) started
T12 >> 1462299334.60816789 semilocal (2700.58772s) started
T12 << 1462299340.41484094 semilocal (2706.39439s) stopped
T12 >> 1462299340.49580193 redistribute (1385.64683s) started
T12 << 1462299341.49832010 redistribute (1386.64935s) stopped
T12 >> 1462299341.49836898 libvdwxc nonlocal (8627.69841s) started
T12 << 1462299359.72264194 libvdwxc nonlocal (8645.92268s) stopped
T12 >> 1462299359.72272491 redistribute (1386.64939s) started
T12 << 1462299361.92471194 redistribute (1388.85137s) stopped
T12 << 1462299361.92586493 van der Waals (12830.67768s) stopped
T12 << 1462299362.39597106 XC 3D grid (13282.41151s) stopped
T12 >> 1462299362.39601803 Poisson (2860.50758s) started
T12 << 1462299366.76330400 Poisson (2864.87487s) stopped
T12 >> 1462299366.76338792 Hartree integrate/restrict (173.02243s) started
T12 << 1462299366.80210996 Hartree integrate/restrict (173.06115s) stopped
T12 >> 1462299366.80224395 Hartree integrate/restrict (173.06125s) started
T12 << 1462299367.13810205 Hartree integrate/restrict (173.39710s) stopped
T12 >> 1462299367.13820004 Atomic (1118.77385s) started
T12 >> 1462299367.14014792 XC Correction (0.01539s) started
T12 << 1462299367.14016891 XC Correction (0.01541s) stopped
T12 << 1462299369.52775788 Atomic (1121.16341s) stopped
T12 >> 1462299369.52789092 Communicate (5113.49895s) started
T12 << 1462299385.19795108 Communicate (5129.16901s) stopped
T12 << 1462299385.19797993 Hamiltonian (22583.87833s) stopped
T12 >> 1462299385.19800305 LCAO eigensolver (32240.92077s) started
T12 >> 1462299385.19801593 Potential matrix (484.33482s) started
T12 << 1462299386.16762304 Potential matrix (485.30443s) stopped
T12 >> 1462299386.16770291 DistributedAtomicCorrection (197.32378s) started
T12 << 1462299386.59179711 DistributedAtomicCorrection (197.74787s) stopped
T12 >> 1462299386.59186506 Distribute overlap matrix (3635.47878s) started
T12 >> 1462299386.59189105 blocked summation (2031.95388s) started
T12 << 1462299391.03795791 blocked summation (2036.39995s) stopped
T12 >> 1462299391.04777193 Scalapack redistribute (1598.60984s) started
T12 << 1462299394.50357699 Scalapack redistribute (1602.06565s) stopped
T12 << 1462299394.50369000 Distribute overlap matrix (3643.39061s) stopped
T12 >> 1462299394.50869989 Blacs Orbital Layouts (27040.72128s) started
T12 >> 1462299394.51765704 General diagonalize (26930.35116s) started
T12 << 1462299449.74232292 General diagonalize (26985.57583s) stopped
T12 >> 1462299449.74236894 Redistribute coefs (4.05945s) started
T12 << 1462299449.75092602 Redistribute coefs (4.06800s) stopped
T12 >> 1462299449.75096512 Send coefs to domains (101.75533s) started
T12 << 1462299449.84985590 Send coefs to domains (101.85422s) stopped
T12 << 1462299449.85057211 Blacs Orbital Layouts (27096.06315s) stopped
T12 >> 1462299449.85060000 Calculate projections (880.60795s) started
T12 << 1462299451.61898708 Calculate projections (882.37634s) stopped
T12 << 1462299451.61944795 LCAO eigensolver (32307.34221s) stopped
T12 << 1462299454.75639200 SCF-cycle (64196.85855s) stopped
T12 >> 1462299456.79099011 Force calculation (2740.78528s) started
T12 >> 1462299456.79107094 LCAO forces (2710.97809s) started
T12 >> 1462299456.79143906 Initial (0.00080s) started
T12 << 1462299456.79145098 Initial (0.00081s) stopped
T12 >> 1462299456.79807997 Get density matrix (1425.32740s) started
T12 << 1462299465.93368292 Get density matrix (1434.46300s) stopped
T12 >> 1462299465.93374300 Potential (214.82669s) started
T12 << 1462299472.08960891 Potential (220.98255s) stopped
T12 >> 1462299472.08966708 Get density matrix (1434.46305s) started
T12 << 1462299503.99380493 Get density matrix (1466.36719s) stopped
T12 >> 1462299503.99386311 Prepare TCI loop (75.22253s) started
T12 >> 1462299503.99438190 Get neighbors (68.01893s) started
T12 << 1462299505.83574605 Get neighbors (69.86029s) stopped
T12 >> 1462299505.83618689 broadcast dH (7.16452s) started
T12 << 1462299506.12062311 broadcast dH (7.44896s) stopped
T12 << 1462299506.12066507 Prepare TCI loop (77.34933s) stopped
T12 >> 1462299506.12070394 Not so complicated loop (4.17040s) started
T12 << 1462299506.23560596 Not so complicated loop (4.28531s) stopped
T12 >> 1462299506.34849000 Complicated loop (647.56934s) started
T12 << 1462299525.37148309 Complicated loop (666.59233s) stopped
T12 >> 1462299525.37240911 Wait for sum (339.37500s) started
T12 << 1462299535.39598107 Wait for sum (349.39858s) stopped
T12 << 1462299535.39601398 LCAO forces (2789.58303s) stopped
T12 << 1462299536.21718907 Force calculation (2820.21148s) stopped
T12 >> 1462299536.23510408 Initialization (4528.96889s) started
T12 << 1462299536.23527503 Initialization (4528.96906s) stopped
T12 >> 1462299536.23549700 Initialization (4528.96908s) started
T12 << 1462299536.23563099 Initialization (4528.96921s) stopped
T12 >> 1462299536.23576903 Initialization (4528.96922s) started
T12 << 1462299536.23590589 Initialization (4528.96936s) stopped
T12 >> 1462299556.56633306 Initialization (4528.96938s) started
T12 >> 1462299556.66883802 Basic WFS set positions (3.16344s) started
T12 >> 1462299556.66886091 Redistribute (0.01209s) started
T12 << 1462299556.66898894 Redistribute (0.01221s) stopped
T12 << 1462299556.75500607 Basic WFS set positions (3.24961s) stopped
T12 >> 1462299556.75503206 Basis functions set positions (65.18308s) started
T12 << 1462299558.65202689 Basis functions set positions (67.08008s) stopped
T12 >> 1462299558.65290904 TCI: Calculate S, T, P (545.36403s) started
T12 << 1462299574.08970690 TCI: Calculate S, T, P (560.80083s) stopped
T12 >> 1462299574.08976007 blocked summation (794.55955s) started
T12 << 1462299599.35567093 blocked summation (819.82546s) stopped
T12 >> 1462299599.36464500 Scalapack redistribute (315.47609s) started
T12 << 1462299610.28691602 Scalapack redistribute (326.39836s) stopped
T12 >> 1462299610.28799391 blocked summation (819.82551s) started
T12 << 1462299611.35572791 blocked summation (820.89325s) stopped
T12 >> 1462299611.36529803 Scalapack redistribute (326.39842s) started
T12 << 1462299611.57549906 Scalapack redistribute (326.60862s) stopped
T12 >> 1462299611.57749701 Redistribute (0.09361s) started
T12 << 1462299611.57804608 Redistribute (0.09416s) stopped
T12 >> 1462299613.31808305 Redistribute (0.09417s) started
T12 << 1462299613.31855106 Redistribute (0.09464s) stopped
T12 >> 1462299613.33345795 LCAO WFS Initialize (2732.94924s) started
T12 >> 1462299613.33354402 Density initialize from wavefunctions (513.95491s) started
T12 >> 1462299613.33884096 Calculate density matrix (356.44973s) started
T12 << 1462299623.13654804 Calculate density matrix (366.24743s) stopped
T12 >> 1462299623.13659596 Construct density (26.92823s) started
T12 << 1462299623.90205789 Construct density (27.69369s) stopped
T12 >> 1462299623.91646504 Symmetrize density (0.00289s) started
T12 << 1462299623.91653609 Symmetrize density (0.00296s) stopped
T12 << 1462299627.63569999 Density initialize from wavefunctions (528.25706s) stopped
T12 >> 1462299627.63607192 Hamiltonian (2218.07021s) started
T12 >> 1462299627.63609290 vbar (1.02059s) started
T12 << 1462299627.66511798 vbar (1.04962s) stopped
T12 >> 1462299627.66519904 XC 3D grid (1060.56784s) started
T12 >> 1462299628.15276003 van der Waals (1024.72076s) started
T12 >> 1462299628.26491094 semilocal (214.44860s) started
T12 << 1462299634.01826096 semilocal (220.20195s) stopped
T12 >> 1462299634.10442996 redistribute (120.74139s) started
T12 << 1462299635.11803389 redistribute (121.75500s) stopped
T12 >> 1462299635.11809206 libvdwxc nonlocal (682.45570s) started
T12 << 1462299653.57103395 libvdwxc nonlocal (700.90865s) stopped
T12 >> 1462299653.57111907 redistribute (121.75504s) started
T12 << 1462299655.80503893 redistribute (123.98896s) stopped
T12 << 1462299655.80652094 van der Waals (1052.37452s) stopped
T12 << 1462299656.27051902 XC 3D grid (1089.17316s) stopped
T12 >> 1462299656.27056408 Poisson (562.55310s) started
T12 << 1462299670.86854601 Poisson (577.15108s) stopped
T12 >> 1462299670.86863303 Hartree integrate/restrict (13.69105s) started
T12 << 1462299670.90607190 Hartree integrate/restrict (13.72849s) stopped
T12 >> 1462299670.90616488 Hartree integrate/restrict (13.72855s) started
T12 << 1462299671.24345994 Hartree integrate/restrict (14.06584s) stopped
T12 >> 1462299671.24353909 Atomic (87.48374s) started
T12 >> 1462299671.24569988 XC Correction (0.00140s) started
T12 << 1462299671.24571490 XC Correction (0.00142s) stopped
T12 << 1462299673.63994598 Atomic (89.88015s) stopped
T12 >> 1462299673.64013600 Communicate (492.71282s) started
T12 << 1462299690.81696606 Communicate (509.88965s) stopped
T12 << 1462299690.81700611 Hamiltonian (2281.25114s) stopped
T12 << 1462299690.81702089 LCAO WFS Initialize (2810.43280s) stopped
T12 << 1462299690.82929802 Initialization (4663.23235s) stopped
T12 >> 1462299690.85577512 SCF-cycle (64196.85857s) started
T12 >> 1462299690.85581803 LCAO eigensolver (32307.34223s) started
T12 >> 1462299690.85583091 Potential matrix (485.30447s) started
T12 << 1462299691.82918692 Potential matrix (486.27783s) stopped
T12 >> 1462299691.82926893 DistributedAtomicCorrection (197.74791s) started
T12 << 1462299692.24936295 DistributedAtomicCorrection (198.16801s) stopped
T12 >> 1462299692.24941206 Distribute overlap matrix (3643.39062s) started
T12 >> 1462299692.24944711 blocked summation (2036.39999s) started
T12 << 1462299696.52414489 blocked summation (2040.67468s) stopped
T12 >> 1462299696.53368306 Scalapack redistribute (1602.06571s) started
T12 << 1462299700.11334205 Scalapack redistribute (1605.64536s) stopped
T12 << 1462299700.11342907 Distribute overlap matrix (3651.25464s) stopped
T12 >> 1462299700.11822605 Blacs Orbital Layouts (27096.06317s) started
T12 >> 1462299700.12613702 General diagonalize (26985.57587s) started
T12 << 1462299753.82022595 General diagonalize (27039.26996s) stopped
T12 >> 1462299753.82028198 Redistribute coefs (4.06803s) started
T12 << 1462299753.82948709 Redistribute coefs (4.07724s) stopped
T12 >> 1462299753.82954907 Send coefs to domains (101.85425s) started
T12 << 1462299754.07117701 Send coefs to domains (102.09588s) stopped
T12 << 1462299754.07140088 Blacs Orbital Layouts (27150.01634s) stopped
T12 >> 1462299754.07143092 Calculate projections (882.37639s) started
T12 << 1462299755.83642006 Calculate projections (884.14137s) stopped
T12 << 1462299755.83667803 LCAO eigensolver (32372.32309s) stopped
T12 >> 1462299758.96210909 Density (7705.97685s) started
T12 >> 1462299758.96212411 Pseudo density (5960.31855s) started
T12 >> 1462299758.96489406 Calculate density matrix (5600.23971s) started
T12 << 1462299770.75927401 Calculate density matrix (5612.03409s) stopped
T12 >> 1462299770.75932097 Construct density (350.60875s) started
T12 << 1462299771.52712393 Construct density (351.37655s) stopped
T12 >> 1462299771.54100895 Symmetrize density (0.03996s) started
T12 << 1462299771.54107594 Symmetrize density (0.04003s) stopped
T12 << 1462299771.54318094 Pseudo density (5972.89961s) stopped
T12 >> 1462299771.54323792 Atomic density matrices (1538.30488s) started
T12 << 1462299774.95836091 Atomic density matrices (1541.72000s) stopped
T12 >> 1462299774.95839310 Multipole moments (5.31629s) started
T12 << 1462299774.97251391 Multipole moments (5.33041s) stopped
T12 >> 1462299774.97253704 Normalize (3.18598s) started
T12 << 1462299774.97877407 Normalize (3.19222s) stopped
T12 >> 1462299774.97882199 Mix (198.81469s) started
T12 << 1462299775.38481498 Mix (199.22069s) stopped
T12 << 1462299775.38488603 Density (7722.39962s) stopped
T12 >> 1462299775.38491607 Hamiltonian (22583.87834s) started
T12 >> 1462299775.38493204 vbar (12.66976s) started
T12 << 1462299775.41646791 vbar (12.70130s) stopped
T12 >> 1462299775.41662002 XC 3D grid (13282.41155s) started
T12 >> 1462299775.88449001 van der Waals (12830.67773s) started
T12 >> 1462299775.99776602 semilocal (2706.39448s) started
T12 << 1462299781.75589705 semilocal (2712.15261s) stopped
T12 >> 1462299781.83225894 redistribute (1388.85145s) started
T12 << 1462299782.88069391 redistribute (1389.89988s) stopped
T12 >> 1462299782.88073707 libvdwxc nonlocal (8645.92274s) started
T12 << 1462299801.28849506 libvdwxc nonlocal (8664.33050s) stopped
T12 >> 1462299801.28858399 redistribute (1389.89992s) started
T12 << 1462299803.17073107 redistribute (1391.78206s) stopped
T12 << 1462299803.17193198 van der Waals (12857.96517s) stopped
T12 << 1462299803.63494301 XC 3D grid (13310.62987s) stopped
T12 >> 1462299803.63498712 Poisson (2864.87493s) started
T12 << 1462299809.47556996 Poisson (2870.71551s) stopped
T12 >> 1462299809.47565103 Hartree integrate/restrict (173.39715s) started
T12 << 1462299809.52085209 Hartree integrate/restrict (173.44236s) stopped
T12 >> 1462299809.52095509 Hartree integrate/restrict (173.44243s) started
T12 << 1462299809.84523106 Hartree integrate/restrict (173.76670s) stopped
T12 >> 1462299809.84530210 Atomic (1121.16344s) started
T12 >> 1462299809.84743404 XC Correction (0.01543s) started
T12 << 1462299809.84747410 XC Correction (0.01547s) stopped
T12 << 1462299812.21973395 Atomic (1123.53787s) stopped
T12 >> 1462299812.21991396 Communicate (5129.16903s) started
T12 << 1462299829.32978392 Communicate (5146.27890s) stopped
T12 << 1462299829.32982397 Hamiltonian (22637.82325s) stopped
T12 >> 1462299829.32984900 LCAO eigensolver (32372.32311s) started
T12 >> 1462299829.32986307 Potential matrix (486.27787s) started
T12 << 1462299830.30232906 Potential matrix (487.25034s) stopped
T12 >> 1462299830.30239701 DistributedAtomicCorrection (198.16805s) started
T12 << 1462299830.73333502 DistributedAtomicCorrection (198.59898s) stopped
T12 >> 1462299830.73338294 Distribute overlap matrix (3651.25465s) started
T12 >> 1462299830.73341608 blocked summation (2040.67472s) started
T12 << 1462299835.09235001 blocked summation (2045.03366s) stopped
T12 >> 1462299835.10267210 Scalapack redistribute (1605.64541s) started
T12 << 1462299838.52963305 Scalapack redistribute (1609.07237s) stopped
T12 << 1462299838.52973890 Distribute overlap matrix (3659.05101s) stopped
T12 >> 1462299838.53467011 Blacs Orbital Layouts (27150.01636s) started
T12 >> 1462299838.54294109 General diagonalize (27039.27000s) started
T12 << 1462299891.65328908 General diagonalize (27092.38035s) stopped
T12 >> 1462299891.65334201 Redistribute coefs (4.07729s) started
T12 << 1462299891.66319990 Redistribute coefs (4.08715s) stopped
T12 >> 1462299891.66325402 Send coefs to domains (102.09592s) started
T12 << 1462299891.76528811 Send coefs to domains (102.19796s) stopped
T12 << 1462299891.76558590 Blacs Orbital Layouts (27203.24728s) stopped
T12 >> 1462299891.76561904 Calculate projections (884.14142s) started
T12 << 1462299893.54735994 Calculate projections (885.92316s) stopped
T12 << 1462299893.54784608 LCAO eigensolver (32436.54111s) stopped
T12 >> 1462299896.65785408 Density (7722.39964s) started
T12 >> 1462299896.65786910 Pseudo density (5972.89966s) started
T12 >> 1462299896.66115904 Calculate density matrix (5612.03412s) started
T12 << 1462299908.53543305 Calculate density matrix (5623.90839s) stopped
T12 >> 1462299908.53548908 Construct density (351.37660s) started
T12 << 1462299909.30366206 Construct density (352.14478s) stopped
T12 >> 1462299909.31975102 Symmetrize density (0.04005s) started
T12 << 1462299909.31983304 Symmetrize density (0.04013s) stopped
T12 << 1462299909.32231307 Pseudo density (5985.56410s) stopped
T12 >> 1462299909.32238007 Atomic density matrices (1541.72003s) started
T12 << 1462299912.78777599 Atomic density matrices (1545.18542s) stopped
T12 >> 1462299912.78781605 Multipole moments (5.33043s) started
T12 << 1462299912.80199790 Multipole moments (5.34461s) stopped
T12 >> 1462299912.80202103 Normalize (3.19226s) started
T12 << 1462299912.80976701 Normalize (3.20000s) stopped
T12 >> 1462299912.80981708 Mix (199.22075s) started
T12 << 1462299913.18482304 Mix (199.59576s) stopped
T12 << 1462299913.18491793 Density (7738.92670s) stopped
T12 >> 1462299913.18495893 Hamiltonian (22637.82326s) started
T12 >> 1462299913.18497992 vbar (12.70139s) started
T12 << 1462299913.21641207 vbar (12.73282s) stopped
T12 >> 1462299913.21653199 XC 3D grid (13310.62990s) started
T12 >> 1462299913.71578693 van der Waals (12857.96519s) started
T12 >> 1462299913.82995701 semilocal (2712.15271s) started
T12 << 1462299919.60668492 semilocal (2717.92944s) stopped
T12 >> 1462299919.68768597 redistribute (1391.78211s) started
T12 << 1462299920.72964406 redistribute (1392.82407s) stopped
T12 >> 1462299920.72971511 libvdwxc nonlocal (8664.33057s) started
T12 << 1462299938.91171193 libvdwxc nonlocal (8682.51257s) stopped
T12 >> 1462299938.91179609 redistribute (1392.82413s) started
T12 << 1462299941.09985805 redistribute (1395.01219s) stopped
T12 << 1462299941.10117793 van der Waals (12885.35059s) stopped
T12 << 1462299941.56234288 XC 3D grid (13338.97572s) stopped
T12 >> 1462299941.56239295 Poisson (2870.71557s) started
T12 << 1462299954.70900893 Poisson (2883.86218s) stopped
T12 >> 1462299954.70909810 Hartree integrate/restrict (173.76674s) started
T12 << 1462299954.74990296 Hartree integrate/restrict (173.80754s) stopped
T12 >> 1462299954.75003290 Hartree integrate/restrict (173.80763s) started
T12 << 1462299955.08340406 Hartree integrate/restrict (174.14100s) stopped
T12 >> 1462299955.08351302 Atomic (1123.53789s) started
T12 >> 1462299955.08541107 XC Correction (0.01548s) started
T12 << 1462299955.08542490 XC Correction (0.01549s) stopped
T12 << 1462299957.46537089 Atomic (1125.91975s) stopped
T12 >> 1462299957.46556592 Communicate (5146.27893s) started
T12 << 1462299974.64079809 Communicate (5163.45416s) stopped
T12 << 1462299974.64084601 Hamiltonian (22699.27915s) stopped
T12 >> 1462299974.64087391 LCAO eigensolver (32436.54113s) started
T12 >> 1462299974.64088702 Potential matrix (487.25038s) started
T12 << 1462299975.60679698 Potential matrix (488.21629s) stopped
T12 >> 1462299975.60687804 DistributedAtomicCorrection (198.59902s) started
T12 << 1462299976.03308201 DistributedAtomicCorrection (199.02523s) stopped
T12 >> 1462299976.03313088 Distribute overlap matrix (3659.05102s) started
T12 >> 1462299976.03316689 blocked summation (2045.03369s) started
T12 << 1462299980.37264991 blocked summation (2049.37317s) stopped
T12 >> 1462299980.38204694 Scalapack redistribute (1609.07242s) started
T12 << 1462299983.87149811 Scalapack redistribute (1612.56187s) stopped
T12 << 1462299983.87160897 Distribute overlap matrix (3666.88950s) stopped
T12 >> 1462299983.87634993 Blacs Orbital Layouts (27203.24730s) started
T12 >> 1462299983.88466692 General diagonalize (27092.38040s) started
T12 << 1462300036.64368892 General diagonalize (27145.13942s) stopped
T12 >> 1462300036.64374089 Redistribute coefs (4.08719s) started
T12 << 1462300036.65280294 Redistribute coefs (4.09625s) stopped
T12 >> 1462300036.65287590 Send coefs to domains (102.19800s) started
T12 << 1462300036.75104499 Send coefs to domains (102.29616s) stopped
T12 << 1462300036.75141907 Blacs Orbital Layouts (27256.12237s) stopped
T12 >> 1462300036.75144911 Calculate projections (885.92322s) started
T12 << 1462300038.53233695 Calculate projections (887.70411s) stopped
T12 << 1462300038.53273296 LCAO eigensolver (32500.43299s) stopped
T12 >> 1462300041.65379190 Density (7738.92672s) started
T12 >> 1462300041.65381098 Pseudo density (5985.56416s) started
T12 >> 1462300041.65672207 Calculate density matrix (5623.90843s) started
T12 << 1462300053.48474407 Calculate density matrix (5635.73645s) stopped
T12 >> 1462300053.48480010 Construct density (352.14483s) started
T12 << 1462300054.25379395 Construct density (352.91383s) stopped
T12 >> 1462300054.27070498 Symmetrize density (0.04015s) started
T12 << 1462300054.27078605 Symmetrize density (0.04023s) stopped
T12 << 1462300054.27326393 Pseudo density (5998.18361s) stopped
T12 >> 1462300054.27333212 Atomic density matrices (1545.18545s) started
T12 << 1462300057.74431992 Atomic density matrices (1548.65644s) stopped
T12 >> 1462300057.74435496 Multipole moments (5.34462s) started
T12 << 1462300057.75846410 Multipole moments (5.35873s) stopped
T12 >> 1462300057.75848889 Normalize (3.20003s) started
T12 << 1462300057.76530600 Normalize (3.20685s) stopped
T12 >> 1462300057.76535106 Mix (199.59585s) started
T12 << 1462300058.16115189 Mix (199.99165s) stopped
T12 << 1462300058.16125607 Density (7755.43419s) stopped
T12 >> 1462300058.16136193 Hamiltonian (22699.27916s) started
T12 >> 1462300058.16138196 vbar (12.73289s) started
T12 << 1462300058.19158006 vbar (12.76309s) stopped
T12 >> 1462300058.19168401 XC 3D grid (13338.97575s) started
T12 >> 1462300058.70634604 van der Waals (12885.35063s) started
T12 >> 1462300058.81819296 semilocal (2717.92957s) started
T12 << 1462300064.54654789 semilocal (2723.65792s) stopped
T12 >> 1462300064.62294006 redistribute (1395.01223s) started
T12 << 1462300065.70034504 redistribute (1396.08964s) stopped
T12 >> 1462300065.70039606 libvdwxc nonlocal (8682.51263s) started
T12 << 1462300083.75215602 libvdwxc nonlocal (8700.56439s) stopped
T12 >> 1462300083.75223207 redistribute (1396.08968s) started
T12 << 1462300085.79132605 redistribute (1398.12877s) stopped
T12 << 1462300085.79239511 van der Waals (12912.43668s) stopped
T12 << 1462300086.25488496 XC 3D grid (13367.03895s) stopped
T12 >> 1462300086.25494599 Poisson (2883.86225s) started
T12 << 1462300090.57891512 Poisson (2888.18622s) stopped
T12 >> 1462300090.57899308 Hartree integrate/restrict (174.14105s) started
T12 << 1462300090.61913610 Hartree integrate/restrict (174.18120s) stopped
T12 >> 1462300090.61921692 Hartree integrate/restrict (174.18125s) started
T12 << 1462300090.93708706 Hartree integrate/restrict (174.49912s) stopped
T12 >> 1462300090.93719792 Atomic (1125.91978s) started
T12 >> 1462300090.93905306 XC Correction (0.01550s) started
T12 << 1462300090.93906999 XC Correction (0.01552s) stopped
T12 << 1462300093.31579494 Atomic (1128.29837s) stopped
T12 >> 1462300093.31598592 Communicate (5163.45420s) started
T12 << 1462300110.29031396 Communicate (5180.42852s) stopped
T12 << 1462300110.29035807 Hamiltonian (22751.40816s) stopped
T12 >> 1462300110.29038501 LCAO eigensolver (32500.43301s) started
T12 >> 1462300110.29039788 Potential matrix (488.21634s) started
T12 << 1462300111.26191401 Potential matrix (489.18785s) stopped
T12 >> 1462300111.26200104 DistributedAtomicCorrection (199.02527s) started
T12 << 1462300111.68334007 DistributedAtomicCorrection (199.44661s) stopped
T12 >> 1462300111.68338895 Distribute overlap matrix (3666.88951s) started
T12 >> 1462300111.68342590 blocked summation (2049.37321s) started
T12 << 1462300115.99655890 blocked summation (2053.68634s) stopped
T12 >> 1462300116.00558591 Scalapack redistribute (1612.56193s) started
T12 << 1462300119.56832409 Scalapack redistribute (1616.12467s) stopped
T12 << 1462300119.56843400 Distribute overlap matrix (3674.77456s) stopped
T12 >> 1462300119.57290912 Blacs Orbital Layouts (27256.12239s) started
T12 >> 1462300119.58123207 General diagonalize (27145.13946s) started
T12 << 1462300175.68318796 General diagonalize (27201.24142s) stopped
T12 >> 1462300175.68323994 Redistribute coefs (4.09631s) started
T12 << 1462300175.69237900 Redistribute coefs (4.10545s) stopped
T12 >> 1462300175.69242811 Send coefs to domains (102.29620s) started
T12 << 1462300175.88401699 Send coefs to domains (102.48779s) stopped
T12 << 1462300175.88446403 Blacs Orbital Layouts (27312.43394s) stopped
T12 >> 1462300175.88449502 Calculate projections (887.70417s) started
T12 << 1462300177.66345000 Calculate projections (889.48312s) stopped
T12 << 1462300177.66366196 LCAO eigensolver (32567.80628s) stopped
T12 >> 1462300180.78391099 Density (7755.43426s) started
T12 >> 1462300180.78392696 Pseudo density (5998.18366s) started
T12 >> 1462300180.78717899 Calculate density matrix (5635.73649s) started
T12 << 1462300192.57884407 Calculate density matrix (5647.52816s) stopped
T12 >> 1462300192.57890010 Construct density (352.91389s) started
T12 << 1462300193.34551501 Construct density (353.68050s) stopped
T12 >> 1462300193.36177993 Symmetrize density (0.04025s) started
T12 << 1462300193.36185694 Symmetrize density (0.04033s) stopped
T12 << 1462300193.36432004 Pseudo density (6010.76405s) stopped
T12 >> 1462300193.36438608 Atomic density matrices (1548.65647s) started
T12 << 1462300196.76695800 Atomic density matrices (1552.05904s) stopped
T12 >> 1462300196.76699305 Multipole moments (5.35875s) started
T12 << 1462300196.78100991 Multipole moments (5.37277s) stopped
T12 >> 1462300196.78104091 Normalize (3.20688s) started
T12 << 1462300196.78782797 Normalize (3.21367s) stopped
T12 >> 1462300196.78787208 Mix (199.99175s) started
T12 << 1462300197.18160200 Mix (200.38548s) stopped
T12 << 1462300197.18167305 Density (7771.83202s) stopped
T12 >> 1462300197.18170309 Hamiltonian (22751.40817s) started
T12 >> 1462300197.18171906 vbar (12.76315s) started
T12 << 1462300197.20454788 vbar (12.78597s) stopped
T12 >> 1462300197.20464396 XC 3D grid (13367.03900s) started
T12 >> 1462300197.71571398 van der Waals (12912.43671s) started
T12 >> 1462300197.82723498 semilocal (2723.65800s) started
T12 << 1462300203.55703592 semilocal (2729.38780s) stopped
T12 >> 1462300203.63370490 redistribute (1398.12884s) started
T12 << 1462300204.68079805 redistribute (1399.17593s) stopped
T12 >> 1462300204.68085098 libvdwxc nonlocal (8700.56445s) started
T12 << 1462300222.56422710 libvdwxc nonlocal (8718.44783s) stopped
T12 >> 1462300222.56429791 redistribute (1399.17597s) started
T12 << 1462300224.53841305 redistribute (1401.15009s) stopped
T12 << 1462300224.53926897 van der Waals (12939.26026s) stopped
T12 << 1462300225.00269294 XC 3D grid (13394.83705s) stopped
T12 >> 1462300225.00274491 Poisson (2888.18628s) started
T12 << 1462300233.54002094 Poisson (2896.72355s) stopped
T12 >> 1462300233.54010797 Hartree integrate/restrict (174.49917s) started
T12 << 1462300233.57801008 Hartree integrate/restrict (174.53707s) stopped
T12 >> 1462300233.57809901 Hartree integrate/restrict (174.53713s) started
T12 << 1462300233.92833900 Hartree integrate/restrict (174.88737s) stopped
T12 >> 1462300233.92848992 Atomic (1128.29840s) started
T12 >> 1462300233.93102503 XC Correction (0.01553s) started
T12 << 1462300233.93104601 XC Correction (0.01555s) stopped
T12 << 1462300236.29790401 Atomic (1130.66781s) stopped
T12 >> 1462300236.29808998 Communicate (5180.42855s) started
T12 << 1462300252.20608211 Communicate (5196.33655s) stopped
T12 << 1462300252.20612407 Hamiltonian (22806.43259s) stopped
T12 >> 1462300252.20615101 LCAO eigensolver (32567.80630s) started
T12 >> 1462300252.20616388 Potential matrix (489.18790s) started
T12 << 1462300253.17555404 Potential matrix (490.15729s) stopped
T12 >> 1462300253.17563391 DistributedAtomicCorrection (199.44665s) started
T12 << 1462300253.59824109 DistributedAtomicCorrection (199.86925s) stopped
T12 >> 1462300253.59828997 Distribute overlap matrix (3674.77457s) started
T12 >> 1462300253.59832501 blocked summation (2053.68638s) started
T12 << 1462300257.96399593 blocked summation (2058.05205s) stopped
T12 >> 1462300257.97363400 Scalapack redistribute (1616.12473s) started
T12 << 1462300261.50945807 Scalapack redistribute (1619.66056s) stopped
T12 << 1462300261.50956988 Distribute overlap matrix (3682.68585s) stopped
T12 >> 1462300261.51422310 Blacs Orbital Layouts (27312.43396s) started
T12 >> 1462300261.52254295 General diagonalize (27201.24146s) started
T12 << 1462300317.06633091 General diagonalize (27256.78525s) stopped
T12 >> 1462300317.06638098 Redistribute coefs (4.10549s) started
T12 << 1462300317.07532001 Redistribute coefs (4.11442s) stopped
T12 >> 1462300317.07536793 Send coefs to domains (102.48783s) started
T12 << 1462300317.22896504 Send coefs to domains (102.64143s) stopped
T12 << 1462300317.22931790 Blacs Orbital Layouts (27368.14906s) stopped
T12 >> 1462300317.22934794 Calculate projections (889.48318s) started
T12 << 1462300319.00878000 Calculate projections (891.26261s) stopped
T12 << 1462300319.00917602 LCAO eigensolver (32634.60933s) stopped
T12 >> 1462300322.12657309 Density (7771.83204s) started
T12 >> 1462300322.12658906 Pseudo density (6010.76411s) started
T12 >> 1462300322.12936306 Calculate density matrix (5647.52819s) started
T12 << 1462300333.94790912 Calculate density matrix (5659.34674s) stopped
T12 >> 1462300333.94796610 Construct density (353.68056s) started
T12 << 1462300334.71710396 Construct density (354.44970s) stopped
T12 >> 1462300334.73330903 Symmetrize density (0.04035s) started
T12 << 1462300334.73341894 Symmetrize density (0.04046s) stopped
T12 << 1462300334.73590112 Pseudo density (6023.37342s) stopped
T12 >> 1462300334.73596811 Atomic density matrices (1552.05907s) started
T12 << 1462300338.06591296 Atomic density matrices (1555.38901s) stopped
T12 >> 1462300338.06594896 Multipole moments (5.37278s) started
T12 << 1462300338.07998204 Multipole moments (5.38681s) stopped
T12 >> 1462300338.08001304 Normalize (3.21370s) started
T12 << 1462300338.08685207 Normalize (3.22054s) stopped
T12 >> 1462300338.08689594 Mix (200.38555s) started
T12 << 1462300338.55542803 Mix (200.85408s) stopped
T12 << 1462300338.55548000 Density (7788.26095s) stopped
T12 >> 1462300338.55550790 Hamiltonian (22806.43260s) started
T12 >> 1462300338.55552292 vbar (12.78603s) started
T12 << 1462300338.59513211 vbar (12.82564s) stopped
T12 >> 1462300338.59524488 XC 3D grid (13394.83709s) started
T12 >> 1462300339.17930102 van der Waals (12939.26029s) started
T12 >> 1462300339.29474711 semilocal (2729.38791s) started
T12 << 1462300345.07207489 semilocal (2735.16524s) stopped
T12 >> 1462300345.15645504 redistribute (1401.15014s) started
T12 << 1462300346.18098092 redistribute (1402.17467s) stopped
T12 >> 1462300346.18103290 libvdwxc nonlocal (8718.44788s) started
T12 << 1462300364.13634706 libvdwxc nonlocal (8736.40320s) stopped
T12 >> 1462300364.13642001 redistribute (1402.17471s) started
T12 << 1462300366.14006305 redistribute (1404.17835s) stopped
T12 << 1462300366.14109898 van der Waals (12966.22208s) stopped
T12 << 1462300366.60487390 XC 3D grid (13422.84672s) stopped
T12 >> 1462300366.60492992 Poisson (2896.72362s) started
T12 << 1462300372.35869288 Poisson (2902.47738s) stopped
T12 >> 1462300372.35877299 Hartree integrate/restrict (174.88744s) started
T12 << 1462300372.39736509 Hartree integrate/restrict (174.92603s) stopped
T12 >> 1462300372.39744997 Hartree integrate/restrict (174.92609s) started
T12 << 1462300372.72089505 Hartree integrate/restrict (175.24953s) stopped
T12 >> 1462300372.72100902 Atomic (1130.66784s) started
T12 >> 1462300372.72287107 XC Correction (0.01557s) started
T12 << 1462300372.72288489 XC Correction (0.01558s) stopped
T12 << 1462300375.12014389 Atomic (1133.06698s) stopped
T12 >> 1462300375.12032294 Communicate (5196.33657s) started
T12 << 1462300390.24331999 Communicate (5211.45957s) stopped
T12 << 1462300390.24336100 Hamiltonian (22858.12046s) stopped
T12 >> 1462300390.24339008 LCAO eigensolver (32634.60935s) started
T12 >> 1462300390.24340391 Potential matrix (490.15733s) started
T12 << 1462300391.21409988 Potential matrix (491.12803s) stopped
T12 >> 1462300391.21417594 DistributedAtomicCorrection (199.86929s) started
T12 << 1462300391.64252901 DistributedAtomicCorrection (200.29764s) stopped
T12 >> 1462300391.64259005 Distribute overlap matrix (3682.68587s) started
T12 >> 1462300391.64261389 blocked summation (2058.05208s) started
T12 << 1462300395.96051788 blocked summation (2062.36999s) stopped
T12 >> 1462300395.97059894 Scalapack redistribute (1619.66061s) started
T12 << 1462300399.50432992 Scalapack redistribute (1623.19434s) stopped
T12 << 1462300399.50444603 Distribute overlap matrix (3690.54772s) stopped
T12 >> 1462300399.50925207 Blacs Orbital Layouts (27368.14908s) started
T12 >> 1462300399.51776290 General diagonalize (27256.78529s) started
T12 << 1462300452.13578391 General diagonalize (27309.40331s) stopped
T12 >> 1462300452.13583994 Redistribute coefs (4.11446s) started
T12 << 1462300452.14469194 Redistribute coefs (4.12331s) stopped
T12 >> 1462300452.14474010 Send coefs to domains (102.64146s) started
T12 << 1462300452.41148400 Send coefs to domains (102.90821s) stopped
T12 << 1462300452.41170812 Blacs Orbital Layouts (27421.05153s) stopped
T12 >> 1462300452.41174603 Calculate projections (891.26268s) started
T12 << 1462300454.18356705 Calculate projections (893.03450s) stopped
T12 << 1462300454.18406105 LCAO eigensolver (32698.55002s) stopped
T12 >> 1462300457.30232596 Density (7788.26096s) started
T12 >> 1462300457.30234098 Pseudo density (6023.37347s) started
T12 >> 1462300457.30473495 Calculate density matrix (5659.34678s) started
T12 << 1462300469.14826703 Calculate density matrix (5671.19031s) stopped
T12 >> 1462300469.14831591 Construct density (354.44976s) started
T12 << 1462300469.91709709 Construct density (355.21854s) stopped
T12 >> 1462300469.93137503 Symmetrize density (0.04048s) started
T12 << 1462300469.93144202 Symmetrize density (0.04054s) stopped
T12 << 1462300469.93355107 Pseudo density (6036.00468s) stopped
T12 >> 1462300469.93360996 Atomic density matrices (1555.38904s) started
T12 << 1462300473.33722091 Atomic density matrices (1558.79265s) stopped
T12 >> 1462300473.33725500 Multipole moments (5.38683s) started
T12 << 1462300473.35137105 Multipole moments (5.40095s) stopped
T12 >> 1462300473.35140109 Normalize (3.22057s) started
T12 << 1462300473.35790205 Normalize (3.22707s) stopped
T12 >> 1462300473.35794902 Mix (200.85413s) started
T12 << 1462300473.78043294 Mix (201.27662s) stopped
T12 << 1462300473.78046489 Density (7804.73910s) stopped
T12 >> 1462300473.78048897 Hamiltonian (22858.12047s) started
T12 >> 1462300473.78050399 vbar (12.82570s) started
T12 << 1462300473.80279207 vbar (12.84799s) stopped
T12 >> 1462300473.80289698 XC 3D grid (13422.84677s) started
T12 >> 1462300474.36330605 van der Waals (12966.22211s) started
T12 >> 1462300474.48209310 semilocal (2735.16534s) started
T12 << 1462300480.21871901 semilocal (2740.90196s) stopped
T12 >> 1462300480.29113102 redistribute (1404.17841s) started
T12 << 1462300481.36985612 redistribute (1405.25714s) stopped
T12 >> 1462300481.36992097 libvdwxc nonlocal (8736.40325s) started
T12 << 1462300499.81721091 libvdwxc nonlocal (8754.85054s) stopped
T12 >> 1462300499.81725407 redistribute (1405.25719s) started
T12 << 1462300501.53442192 redistribute (1406.97436s) stopped
T12 << 1462300501.53555989 van der Waals (12993.39436s) stopped
T12 << 1462300501.99652410 XC 3D grid (13451.04039s) stopped
T12 >> 1462300501.99656606 Poisson (2902.47744s) started
T12 << 1462300507.84626794 Poisson (2908.32714s) stopped
T12 >> 1462300507.84634590 Hartree integrate/restrict (175.24959s) started
T12 << 1462300507.88908911 Hartree integrate/restrict (175.29234s) stopped
T12 >> 1462300507.88912797 Hartree integrate/restrict (175.29236s) started
T12 << 1462300508.21008706 Hartree integrate/restrict (175.61332s) stopped
T12 >> 1462300508.21015596 Atomic (1133.06700s) started
T12 >> 1462300508.21186590 XC Correction (0.01559s) started
T12 << 1462300508.21188092 XC Correction (0.01561s) stopped
T12 << 1462300510.59960294 Atomic (1135.45645s) stopped
T12 >> 1462300510.59975410 Communicate (5211.45960s) started
T12 << 1462300525.76851606 Communicate (5226.62836s) stopped
T12 << 1462300525.76854992 Hamiltonian (22910.10853s) stopped
T12 >> 1462300525.76857495 LCAO eigensolver (32698.55004s) started
T12 >> 1462300525.76858807 Potential matrix (491.12807s) started
T12 << 1462300526.74094200 Potential matrix (492.10042s) stopped
T12 >> 1462300526.74102712 DistributedAtomicCorrection (200.29768s) started
T12 << 1462300527.16304803 DistributedAtomicCorrection (200.71971s) stopped
T12 >> 1462300527.16310501 Distribute overlap matrix (3690.54774s) started
T12 >> 1462300527.16312599 blocked summation (2062.37002s) started
T12 << 1462300531.52463794 blocked summation (2066.73154s) stopped
T12 >> 1462300531.53507590 Scalapack redistribute (1623.19441s) started
T12 << 1462300534.98649406 Scalapack redistribute (1626.64582s) stopped
T12 << 1462300534.98659706 Distribute overlap matrix (3698.37123s) stopped
T12 >> 1462300534.99127889 Blacs Orbital Layouts (27421.05155s) started
T12 >> 1462300534.99969792 General diagonalize (27309.40335s) started
T12 << 1462300587.51518106 General diagonalize (27361.91884s) stopped
T12 >> 1462300587.51522803 Redistribute coefs (4.12335s) started
T12 << 1462300587.52364111 Redistribute coefs (4.13176s) stopped
T12 >> 1462300587.52368093 Send coefs to domains (102.90824s) started
T12 << 1462300587.70800805 Send coefs to domains (103.09257s) stopped
T12 << 1462300587.70823598 Blacs Orbital Layouts (27473.76851s) stopped
T12 >> 1462300587.70826292 Calculate projections (893.03455s) started
T12 << 1462300589.48213196 Calculate projections (894.80842s) stopped
T12 << 1462300589.48249412 LCAO eigensolver (32762.26396s) stopped
T12 >> 1462300592.59925890 Density (7804.73911s) started
T12 >> 1462300592.59927392 Pseudo density (6036.00473s) started
T12 >> 1462300592.60155702 Calculate density matrix (5671.19035s) started
T12 << 1462300604.58022594 Calculate density matrix (5683.16902s) stopped
T12 >> 1462300604.58027411 Construct density (355.21859s) started
T12 << 1462300605.34854698 Construct density (355.98686s) stopped
T12 >> 1462300605.36279607 Symmetrize density (0.04056s) started
T12 << 1462300605.36286092 Symmetrize density (0.04062s) stopped
T12 << 1462300605.36497593 Pseudo density (6048.77043s) stopped
T12 >> 1462300605.36503506 Atomic density matrices (1558.79268s) started
T12 << 1462300608.83820200 Atomic density matrices (1562.26584s) stopped
T12 >> 1462300608.83823490 Multipole moments (5.40096s) started
T12 << 1462300608.85232306 Multipole moments (5.41505s) stopped
T12 >> 1462300608.85235310 Normalize (3.22711s) started
T12 << 1462300608.85884309 Normalize (3.23360s) stopped
T12 >> 1462300608.85891891 Mix (201.27665s) started
T12 << 1462300609.31133890 Mix (201.72907s) stopped
T12 << 1462300609.31139302 Density (7821.45124s) stopped
T12 >> 1462300609.31141901 Hamiltonian (22910.10854s) started
T12 >> 1462300609.31143308 vbar (12.84806s) started
T12 << 1462300609.33936810 vbar (12.87599s) stopped
T12 >> 1462300609.33953094 XC 3D grid (13451.04043s) started
T12 >> 1462300609.83799791 van der Waals (12993.39440s) started
T12 >> 1462300609.94995594 semilocal (2740.90206s) started
T12 << 1462300615.72538590 semilocal (2746.67749s) stopped
T12 >> 1462300615.79649305 redistribute (1406.97440s) started
T12 << 1462300616.80671096 redistribute (1407.98461s) stopped
T12 >> 1462300616.80675507 libvdwxc nonlocal (8754.85057s) started
T12 << 1462300635.24893999 libvdwxc nonlocal (8773.29276s) stopped
T12 >> 1462300635.24899101 redistribute (1407.98465s) started
T12 << 1462300636.93411207 redistribute (1409.66977s) stopped
T12 << 1462300636.93530512 van der Waals (13020.49171s) stopped
T12 << 1462300637.39548302 XC 3D grid (13479.09638s) stopped
T12 >> 1462300637.39554501 Poisson (2908.32719s) started
T12 << 1462300643.31270409 Poisson (2914.24435s) stopped
T12 >> 1462300643.31281710 Hartree integrate/restrict (175.61335s) started
T12 << 1462300643.36006498 Hartree integrate/restrict (175.66060s) stopped
T12 >> 1462300643.36010909 Hartree integrate/restrict (175.66062s) started
T12 << 1462300643.73036289 Hartree integrate/restrict (176.03088s) stopped
T12 >> 1462300643.73044705 Atomic (1135.45647s) started
T12 >> 1462300643.73214889 XC Correction (0.01562s) started
T12 << 1462300643.73216295 XC Correction (0.01563s) stopped
T12 << 1462300646.13948894 Atomic (1137.86551s) stopped
T12 >> 1462300646.13963008 Communicate (5226.62838s) started
T12 << 1462300661.28129292 Communicate (5241.77005s) stopped
T12 << 1462300661.28132892 Hamiltonian (22962.07845s) stopped
T12 >> 1462300661.28135395 LCAO eigensolver (32762.26398s) started
T12 >> 1462300661.28136706 Potential matrix (492.10047s) started
T12 << 1462300662.24982309 Potential matrix (493.06893s) stopped
T12 >> 1462300662.24989200 DistributedAtomicCorrection (200.71974s) started
T12 << 1462300662.68061304 DistributedAtomicCorrection (201.15046s) stopped
T12 >> 1462300662.68067193 Distribute overlap matrix (3698.37124s) started
T12 >> 1462300662.68069291 blocked summation (2066.73157s) started
T12 << 1462300667.01699209 blocked summation (2071.06787s) stopped
T12 >> 1462300667.02770495 Scalapack redistribute (1626.64588s) started
T12 << 1462300670.61380506 Scalapack redistribute (1630.23198s) stopped
T12 << 1462300670.61390400 Distribute overlap matrix (3706.30447s) stopped
T12 >> 1462300670.61800694 Blacs Orbital Layouts (27473.76853s) started
T12 >> 1462300670.62599707 General diagonalize (27361.91888s) started
T12 << 1462300723.54397392 General diagonalize (27414.83685s) stopped
T12 >> 1462300723.54401898 Redistribute coefs (4.13180s) started
T12 << 1462300723.55259204 Redistribute coefs (4.14037s) stopped
T12 >> 1462300723.55263090 Send coefs to domains (103.09260s) started
T12 << 1462300723.85354900 Send coefs to domains (103.39352s) stopped
T12 << 1462300723.85374999 Blacs Orbital Layouts (27527.00427s) stopped
T12 >> 1462300723.85378408 Calculate projections (894.80847s) started
T12 << 1462300725.62789011 Calculate projections (896.58258s) stopped
T12 << 1462300725.62824392 LCAO eigensolver (32826.61087s) stopped
T12 >> 1462300728.75060105 Density (7821.45126s) started
T12 >> 1462300728.75061488 Pseudo density (6048.77048s) started
T12 >> 1462300728.75307012 Calculate density matrix (5683.16905s) started
T12 << 1462300740.46773505 Calculate density matrix (5694.88371s) stopped
T12 >> 1462300740.46778798 Construct density (355.98692s) started
T12 << 1462300741.23579693 Construct density (356.75492s) stopped
T12 >> 1462300741.24996710 Symmetrize density (0.04064s) started
T12 << 1462300741.25003791 Symmetrize density (0.04071s) stopped
T12 << 1462300741.25214696 Pseudo density (6061.27201s) stopped
T12 >> 1462300741.25220609 Atomic density matrices (1562.26587s) started
T12 << 1462300744.74790192 Atomic density matrices (1565.76156s) stopped
T12 >> 1462300744.74793601 Multipole moments (5.41507s) started
T12 << 1462300744.76220298 Multipole moments (5.42934s) stopped
T12 >> 1462300744.76223207 Normalize (3.23365s) started
T12 << 1462300744.76843691 Normalize (3.23986s) stopped
T12 >> 1462300744.76848602 Mix (201.72912s) started
T12 << 1462300745.23950505 Mix (202.20014s) stopped
T12 << 1462300745.23955107 Density (7837.94021s) stopped
T12 >> 1462300745.23957491 Hamiltonian (22962.07846s) started
T12 >> 1462300745.23958898 vbar (12.87609s) started
T12 << 1462300745.26876092 vbar (12.90526s) stopped
T12 >> 1462300745.26890898 XC 3D grid (13479.09643s) started
T12 >> 1462300745.75093699 van der Waals (13020.49174s) started
T12 >> 1462300745.86690497 semilocal (2746.67755s) started
T12 << 1462300751.65878797 semilocal (2752.46943s) stopped
T12 >> 1462300751.73214006 redistribute (1409.66982s) started
T12 << 1462300752.72937894 redistribute (1410.66705s) stopped
T12 >> 1462300752.72942305 libvdwxc nonlocal (8773.29280s) started
T12 << 1462300771.23264408 libvdwxc nonlocal (8791.79602s) stopped
T12 >> 1462300771.23268509 redistribute (1410.66709s) started
T12 << 1462300772.94401407 redistribute (1412.37842s) stopped
T12 << 1462300772.94522500 van der Waals (13047.68602s) stopped
T12 << 1462300773.40638900 XC 3D grid (13507.23391s) stopped
T12 >> 1462300773.40643096 Poisson (2914.24445s) started
T12 << 1462300777.76005292 Poisson (2918.59807s) stopped
T12 >> 1462300777.76012206 Hartree integrate/restrict (176.03092s) started
T12 << 1462300777.80421996 Hartree integrate/restrict (176.07502s) stopped
T12 >> 1462300777.80426097 Hartree integrate/restrict (176.07504s) started
T12 << 1462300778.14759111 Hartree integrate/restrict (176.41837s) stopped
T12 >> 1462300778.14768696 Atomic (1137.86553s) started
T12 >> 1462300778.14939308 XC Correction (0.01564s) started
T12 << 1462300778.14940691 XC Correction (0.01566s) stopped
T12 << 1462300780.54344702 Atomic (1140.26129s) stopped
T12 >> 1462300780.54358292 Communicate (5241.77007s) started
T12 << 1462300795.96957803 Communicate (5257.19607s) stopped
T12 << 1462300795.96961403 Hamiltonian (23012.80850s) stopped
T12 >> 1462300795.96963811 LCAO eigensolver (32826.61089s) started
T12 >> 1462300795.96965098 Potential matrix (493.06897s) started
T12 << 1462300796.93793607 Potential matrix (494.03725s) stopped
T12 >> 1462300796.93800402 DistributedAtomicCorrection (201.15050s) started
T12 << 1462300797.36629009 DistributedAtomicCorrection (201.57879s) stopped
T12 >> 1462300797.36634803 Distribute overlap matrix (3706.30448s) started
T12 >> 1462300797.36636901 blocked summation (2071.06791s) started
T12 << 1462300801.71794510 blocked summation (2075.41949s) stopped
T12 >> 1462300801.72792292 Scalapack redistribute (1630.23204s) started
T12 << 1462300805.28755903 Scalapack redistribute (1633.79168s) stopped
T12 << 1462300805.28767896 Distribute overlap matrix (3714.22582s) stopped
T12 >> 1462300805.29180694 Blacs Orbital Layouts (27527.00429s) started
T12 >> 1462300805.29962301 General diagonalize (27414.83689s) started
T12 << 1462300858.10918593 General diagonalize (27467.64645s) stopped
T12 >> 1462300858.10923195 Redistribute coefs (4.14040s) started
T12 << 1462300858.11791396 Redistribute coefs (4.14908s) stopped
T12 >> 1462300858.11795402 Send coefs to domains (103.39355s) started
T12 << 1462300858.23538208 Send coefs to domains (103.51098s) stopped
T12 << 1462300858.23560810 Blacs Orbital Layouts (27579.94809s) stopped
T12 >> 1462300858.23563695 Calculate projections (896.58262s) started
T12 << 1462300860.01008391 Calculate projections (898.35707s) stopped
T12 << 1462300860.01043892 LCAO eigensolver (32890.65169s) stopped
T12 >> 1462300863.13274908 Density (7837.94022s) started
T12 >> 1462300863.13276291 Pseudo density (6061.27206s) started
T12 >> 1462300863.13502192 Calculate density matrix (5694.88375s) started
T12 << 1462300875.12431502 Calculate density matrix (5706.87304s) stopped
T12 >> 1462300875.12436104 Construct density (356.75497s) started
T12 << 1462300875.89256310 Construct density (357.52318s) stopped
T12 >> 1462300875.90672398 Symmetrize density (0.04073s) started
T12 << 1462300875.90679502 Symmetrize density (0.04080s) stopped
T12 << 1462300875.90890002 Pseudo density (6074.04820s) stopped
T12 >> 1462300875.90895891 Atomic density matrices (1565.76159s) started
T12 << 1462300879.32421088 Atomic density matrices (1569.17684s) stopped
T12 >> 1462300879.32424593 Multipole moments (5.42935s) started
T12 << 1462300879.33850002 Multipole moments (5.44361s) stopped
T12 >> 1462300879.33852911 Normalize (3.23989s) started
T12 << 1462300879.34478903 Normalize (3.24615s) stopped
T12 >> 1462300879.34483504 Mix (202.20019s) started
T12 << 1462300879.76353002 Mix (202.61888s) stopped
T12 << 1462300879.76356006 Density (7854.57103s) stopped
T12 >> 1462300879.76358390 Hamiltonian (23012.80852s) started
T12 >> 1462300879.76359797 vbar (12.90535s) started
T12 << 1462300879.79267812 vbar (12.93443s) stopped
T12 >> 1462300879.79283595 XC 3D grid (13507.23394s) started
T12 >> 1462300880.27732706 van der Waals (13047.68605s) started
T12 >> 1462300880.39220595 semilocal (2752.46949s) started
T12 << 1462300886.18255496 semilocal (2758.25984s) stopped
T12 >> 1462300886.25342011 redistribute (1412.37846s) started
T12 << 1462300887.23904610 redistribute (1413.36408s) stopped
T12 >> 1462300887.23908997 libvdwxc nonlocal (8791.79605s) started
T12 << 1462300905.74086094 libvdwxc nonlocal (8810.29782s) stopped
T12 >> 1462300905.74091291 redistribute (1413.36411s) started
T12 << 1462300907.41986895 redistribute (1415.04307s) stopped
T12 << 1462300907.42087698 van der Waals (13074.82960s) stopped
T12 << 1462300907.88503098 XC 3D grid (13535.32614s) stopped
T12 >> 1462300907.88508511 Poisson (2918.59812s) started
T12 << 1462300912.19249201 Poisson (2922.90553s) stopped
T12 >> 1462300912.19256997 Hartree integrate/restrict (176.41842s) started
T12 << 1462300912.23552895 Hartree integrate/restrict (176.46138s) stopped
T12 >> 1462300912.23557401 Hartree integrate/restrict (176.46141s) started
T12 << 1462300912.55044794 Hartree integrate/restrict (176.77628s) stopped
T12 >> 1462300912.55051899 Atomic (1140.26132s) started
T12 >> 1462300912.55221295 XC Correction (0.01567s) started
T12 << 1462300912.55222988 XC Correction (0.01568s) stopped
T12 << 1462300914.93511605 Atomic (1142.64591s) stopped
T12 >> 1462300914.93524289 Communicate (5257.19609s) started
T12 << 1462300930.42366195 Communicate (5272.68451s) stopped
T12 << 1462300930.42369890 Hamiltonian (23063.46863s) stopped
T12 >> 1462300930.42372489 LCAO eigensolver (32890.65171s) started
T12 >> 1462300930.42373896 Potential matrix (494.03729s) started
T12 << 1462300931.39411998 Potential matrix (495.00767s) stopped
T12 >> 1462300931.39419007 DistributedAtomicCorrection (201.57883s) started
T12 << 1462300931.82473207 DistributedAtomicCorrection (202.00937s) stopped
T12 >> 1462300931.82479596 Distribute overlap matrix (3714.22583s) started
T12 >> 1462300931.82481790 blocked summation (2075.41953s) started
T12 << 1462300936.13009596 blocked summation (2079.72481s) stopped
T12 >> 1462300936.13909006 Scalapack redistribute (1633.79176s) started
T12 << 1462300939.69658995 Scalapack redistribute (1637.34926s) stopped
T12 << 1462300939.69668198 Distribute overlap matrix (3722.09771s) stopped
T12 >> 1462300939.70083690 Blacs Orbital Layouts (27579.94811s) started
T12 >> 1462300939.70878601 General diagonalize (27467.64649s) started
T12 << 1462300994.50518608 General diagonalize (27522.44289s) stopped
T12 >> 1462300994.50524211 Redistribute coefs (4.14911s) started
T12 << 1462300994.51461196 Redistribute coefs (4.15848s) stopped
T12 >> 1462300994.51465988 Send coefs to domains (103.51102s) started
T12 << 1462300994.96730995 Send coefs to domains (103.96367s) stopped
T12 << 1462300994.96757102 Blacs Orbital Layouts (27635.21484s) stopped
T12 >> 1462300994.96760106 Calculate projections (898.35712s) started
T12 << 1462300996.74801612 Calculate projections (900.13754s) stopped
T12 << 1462300996.74826503 LCAO eigensolver (32956.97625s) stopped
T12 >> 1462300999.86203790 Density (7854.57104s) started
T12 >> 1462300999.86205506 Pseudo density (6074.04824s) started
T12 >> 1462300999.86482596 Calculate density matrix (5706.87307s) started
T12 << 1462301011.69239712 Calculate density matrix (5718.70064s) stopped
T12 >> 1462301011.69245410 Construct density (357.52323s) started
T12 << 1462301012.46052599 Construct density (358.29130s) stopped
T12 >> 1462301012.47700095 Symmetrize density (0.04082s) started
T12 << 1462301012.47707701 Symmetrize density (0.04090s) stopped
T12 << 1462301012.47954512 Pseudo density (6086.66573s) stopped
T12 >> 1462301012.47961307 Atomic density matrices (1569.17686s) started
T12 << 1462301015.80749989 Atomic density matrices (1572.50475s) stopped
T12 >> 1462301015.80753899 Multipole moments (5.44362s) started
T12 << 1462301015.82172298 Multipole moments (5.45781s) stopped
T12 >> 1462301015.82175589 Normalize (3.24619s) started
T12 << 1462301015.82860804 Normalize (3.25304s) stopped
T12 >> 1462301015.82865191 Mix (202.61891s) started
T12 << 1462301016.29247499 Mix (203.08274s) stopped
T12 << 1462301016.29252505 Density (7871.00153s) stopped
T12 >> 1462301016.29255104 Hamiltonian (23063.46864s) started
T12 >> 1462301016.29256606 vbar (12.93453s) started
T12 << 1462301016.31565189 vbar (12.95761s) stopped
T12 >> 1462301016.31580591 XC 3D grid (13535.32618s) started
T12 >> 1462301016.81239390 van der Waals (13074.82963s) started
T12 >> 1462301016.92584395 semilocal (2758.25990s) started
T12 << 1462301022.65017295 semilocal (2763.98423s) stopped
T12 >> 1462301022.72883511 redistribute (1415.04312s) started
T12 << 1462301023.77989197 redistribute (1416.09418s) stopped
T12 >> 1462301023.77994394 libvdwxc nonlocal (8810.29786s) started
T12 << 1462301041.76433897 libvdwxc nonlocal (8828.28225s) stopped
T12 >> 1462301041.76442003 redistribute (1416.09422s) started
T12 << 1462301043.76261902 redistribute (1418.09242s) stopped
T12 << 1462301043.76362491 van der Waals (13101.78086s) stopped
T12 << 1462301044.22970510 XC 3D grid (13563.24008s) stopped
T12 >> 1462301044.22977209 Poisson (2922.90559s) started
T12 << 1462301048.61434793 Poisson (2927.29016s) stopped
T12 >> 1462301048.61443496 Hartree integrate/restrict (176.77632s) started
T12 << 1462301048.65385294 Hartree integrate/restrict (176.81573s) stopped
T12 >> 1462301048.65392590 Hartree integrate/restrict (176.81578s) started
T12 << 1462301049.01293206 Hartree integrate/restrict (177.17478s) stopped
T12 >> 1462301049.01304793 Atomic (1142.64594s) started
T12 >> 1462301049.01494908 XC Correction (0.01569s) started
T12 << 1462301049.01496911 XC Correction (0.01571s) stopped
T12 << 1462301051.39777803 Atomic (1145.03067s) stopped
T12 >> 1462301051.39791608 Communicate (5272.68453s) started
T12 << 1462301066.88819504 Communicate (5288.17481s) stopped
T12 << 1462301066.88823795 Hamiltonian (23114.06433s) stopped
T12 >> 1462301066.88826609 LCAO eigensolver (32956.97627s) started
T12 >> 1462301066.88829899 Potential matrix (495.00772s) started
T12 << 1462301067.86008310 Potential matrix (495.97950s) stopped
T12 >> 1462301067.86016512 DistributedAtomicCorrection (202.00941s) started
T12 << 1462301068.28965211 DistributedAtomicCorrection (202.43890s) stopped
T12 >> 1462301068.28971100 Distribute overlap matrix (3722.09773s) started
T12 >> 1462301068.28973508 blocked summation (2079.72486s) started
T12 << 1462301072.62493110 blocked summation (2084.06005s) stopped
T12 >> 1462301072.63387203 Scalapack redistribute (1637.34931s) started
T12 << 1462301076.21584892 Scalapack redistribute (1640.93128s) stopped
T12 << 1462301076.21593308 Distribute overlap matrix (3730.02395s) stopped
T12 >> 1462301076.22118497 Blacs Orbital Layouts (27635.21486s) started
T12 >> 1462301076.22980499 General diagonalize (27522.44294s) started
T12 << 1462301131.32069397 General diagonalize (27577.53383s) stopped
T12 >> 1462301131.32074690 Redistribute coefs (4.15852s) started
T12 << 1462301131.32969093 Redistribute coefs (4.16746s) stopped
T12 >> 1462301131.32973790 Send coefs to domains (103.96371s) started
T12 << 1462301131.42574191 Send coefs to domains (104.05971s) stopped
T12 << 1462301131.42596412 Blacs Orbital Layouts (27690.41964s) stopped
T12 >> 1462301131.42599511 Calculate projections (900.13760s) started
T12 << 1462301133.20567799 Calculate projections (901.91728s) stopped
T12 << 1462301133.20588994 LCAO eigensolver (33023.29389s) stopped
T12 >> 1462301136.31402707 Density (7871.00155s) started
T12 >> 1462301136.31404400 Pseudo density (6086.66579s) started
T12 >> 1462301136.31709695 Calculate density matrix (5718.70068s) started
T12 << 1462301148.11739397 Calculate density matrix (5730.50098s) stopped
T12 >> 1462301148.11745095 Construct density (358.29136s) started
T12 << 1462301148.88681006 Construct density (359.06072s) stopped
T12 >> 1462301148.90305209 Symmetrize density (0.04092s) started
T12 << 1462301148.90312696 Symmetrize density (0.04099s) stopped
T12 << 1462301148.90559292 Pseudo density (6099.25734s) stopped
T12 >> 1462301148.90566301 Atomic density matrices (1572.50478s) started
T12 << 1462301152.26061606 Atomic density matrices (1575.85973s) stopped
T12 >> 1462301152.26065397 Multipole moments (5.45782s) started
T12 << 1462301152.27435589 Multipole moments (5.47152s) stopped
T12 >> 1462301152.27438688 Normalize (3.25307s) started
T12 << 1462301152.28119898 Normalize (3.25988s) stopped
T12 >> 1462301152.28124189 Mix (203.08278s) started
T12 << 1462301152.71303511 Mix (203.51458s) stopped
T12 << 1462301152.71310806 Density (7887.40063s) stopped
T12 >> 1462301152.71313810 Hamiltonian (23114.06434s) started
T12 >> 1462301152.71315408 vbar (12.95770s) started
T12 << 1462301152.74134588 vbar (12.98589s) stopped
T12 >> 1462301152.74146295 XC 3D grid (13563.24014s) started
T12 >> 1462301153.22566700 van der Waals (13101.78089s) started
T12 >> 1462301153.33812189 semilocal (2763.98433s) started
T12 << 1462301159.08098507 semilocal (2769.72720s) stopped
T12 >> 1462301159.15797710 redistribute (1418.09248s) started
T12 << 1462301160.22130704 redistribute (1419.15581s) stopped
T12 >> 1462301160.22135806 libvdwxc nonlocal (8828.28232s) started
T12 << 1462301178.34689999 libvdwxc nonlocal (8846.40786s) stopped
T12 >> 1462301178.34698391 redistribute (1419.15585s) started
T12 << 1462301180.52239609 redistribute (1421.33126s) stopped
T12 << 1462301180.52327991 van der Waals (13129.07851s) stopped
T12 << 1462301180.98685503 XC 3D grid (13591.48553s) stopped
T12 >> 1462301180.98690200 Poisson (2927.29022s) started
T12 << 1462301183.90734911 Poisson (2930.21067s) stopped
T12 >> 1462301183.90743303 Hartree integrate/restrict (177.17484s) started
T12 << 1462301183.94696999 Hartree integrate/restrict (177.21438s) stopped
T12 >> 1462301183.94705510 Hartree integrate/restrict (177.21444s) started
T12 << 1462301184.28108096 Hartree integrate/restrict (177.54846s) stopped
T12 >> 1462301184.28116107 Atomic (1145.03069s) started
T12 >> 1462301184.28319597 XC Correction (0.01573s) started
T12 << 1462301184.28324008 XC Correction (0.01578s) stopped
T12 << 1462301186.67361903 Atomic (1147.42315s) stopped
T12 >> 1462301186.67374301 Communicate (5288.17484s) started
T12 << 1462301202.14555192 Communicate (5303.64665s) stopped
T12 << 1462301202.14559388 Hamiltonian (23163.49680s) stopped
T12 >> 1462301202.14562201 LCAO eigensolver (33023.29391s) started
T12 >> 1462301202.14563608 Potential matrix (495.97954s) started
T12 << 1462301203.11740208 Potential matrix (496.95131s) stopped
T12 >> 1462301203.11748910 DistributedAtomicCorrection (202.43893s) started
T12 << 1462301203.54887509 DistributedAtomicCorrection (202.87032s) stopped
T12 >> 1462301203.54893494 Distribute overlap matrix (3730.02396s) started
T12 >> 1462301203.54895902 blocked summation (2084.06009s) started
T12 << 1462301207.88376594 blocked summation (2088.39490s) stopped
T12 >> 1462301207.89332104 Scalapack redistribute (1640.93132s) started
T12 << 1462301211.50888991 Scalapack redistribute (1644.54689s) stopped
T12 << 1462301211.50900412 Distribute overlap matrix (3737.98403s) stopped
T12 >> 1462301211.51383805 Blacs Orbital Layouts (27690.41966s) started
T12 >> 1462301211.52216506 General diagonalize (27577.53387s) started
T12 << 1462301265.27669096 General diagonalize (27631.28840s) stopped
T12 >> 1462301265.27674508 Redistribute coefs (4.16750s) started
T12 << 1462301265.28585196 Redistribute coefs (4.17661s) stopped
T12 >> 1462301265.28590012 Send coefs to domains (104.05975s) started
T12 << 1462301265.59009409 Send coefs to domains (104.36394s) stopped
T12 << 1462301265.59030700 Blacs Orbital Layouts (27744.49613s) stopped
T12 >> 1462301265.59033704 Calculate projections (901.91734s) started
T12 << 1462301267.37057996 Calculate projections (903.69758s) stopped
T12 << 1462301267.37097907 LCAO eigensolver (33088.51927s) stopped
T12 << 1462301270.46715689 SCF-cycle (65776.46995s) stopped
T12 >> 1462301272.49137092 Force calculation (2820.21150s) started
T12 >> 1462301272.49147105 LCAO forces (2789.58304s) started
T12 >> 1462301272.49186611 Initial (0.00082s) started
T12 << 1462301272.49187803 Initial (0.00083s) stopped
T12 >> 1462301272.49840808 Get density matrix (1466.36722s) started
T12 << 1462301281.64466691 Get density matrix (1475.51348s) stopped
T12 >> 1462301281.64471602 Potential (220.98260s) started
T12 << 1462301287.76994896 Potential (227.10783s) stopped
T12 >> 1462301287.77001095 Get density matrix (1475.51352s) started
T12 << 1462301318.79417896 Get density matrix (1506.53769s) stopped
T12 >> 1462301318.79424810 Prepare TCI loop (77.34936s) started
T12 >> 1462301318.79481006 Get neighbors (69.86034s) started
T12 << 1462301320.82449198 Get neighbors (71.89003s) stopped
T12 >> 1462301320.82571793 broadcast dH (7.44898s) started
T12 << 1462301320.99509501 broadcast dH (7.61836s) stopped
T12 << 1462301320.99514389 Prepare TCI loop (79.55026s) stopped
T12 >> 1462301320.99516511 Not so complicated loop (4.28534s) started
T12 << 1462301321.11726308 Not so complicated loop (4.40743s) stopped
T12 >> 1462301321.24183106 Complicated loop (666.59236s) started
T12 << 1462301340.57768011 Complicated loop (685.92821s) stopped
T12 >> 1462301340.57861400 Wait for sum (349.39861s) started
T12 << 1462301350.42995405 Wait for sum (359.24995s) stopped
T12 << 1462301350.42999411 LCAO forces (2867.52157s) stopped
T12 << 1462301351.31691408 Force calculation (2899.03705s) stopped
T12 >> 1462301351.33499289 Initialization (4663.23236s) started
T12 << 1462301351.33517003 Initialization (4663.23254s) stopped
T12 >> 1462301351.33539891 Initialization (4663.23256s) started
T12 << 1462301351.33553505 Initialization (4663.23269s) stopped
T12 >> 1462301351.33567405 Initialization (4663.23271s) started
T12 << 1462301351.33580494 Initialization (4663.23284s) stopped
T12 >> 1462301371.65255690 Initialization (4663.23286s) started
T12 >> 1462301371.74010611 Basic WFS set positions (3.24963s) started
T12 >> 1462301371.74013209 Redistribute (0.01223s) started
T12 << 1462301371.74026394 Redistribute (0.01236s) stopped
T12 << 1462301371.82971597 Basic WFS set positions (3.33924s) stopped
T12 >> 1462301371.82976103 Basis functions set positions (67.08011s) started
T12 << 1462301373.72175789 Basis functions set positions (68.97210s) stopped
T12 >> 1462301373.72238302 TCI: Calculate S, T, P (560.80086s) started
T12 << 1462301389.35935593 TCI: Calculate S, T, P (576.43783s) stopped
T12 >> 1462301389.35941696 blocked summation (820.89328s) started
T12 << 1462301415.33089209 blocked summation (846.86476s) stopped
T12 >> 1462301415.34005904 Scalapack redistribute (326.60867s) started
T12 << 1462301424.93598294 Scalapack redistribute (336.20460s) stopped
T12 >> 1462301424.93717098 blocked summation (846.86482s) started
T12 << 1462301425.95094299 blocked summation (847.87859s) stopped
T12 >> 1462301425.96018004 Scalapack redistribute (336.20467s) started
T12 << 1462301426.22237706 Scalapack redistribute (336.46687s) stopped
T12 >> 1462301426.22462296 Redistribute (0.09466s) started
T12 << 1462301426.22519302 Redistribute (0.09523s) stopped
T12 >> 1462301427.93053699 Redistribute (0.09525s) started
T12 << 1462301427.93103194 Redistribute (0.09575s) stopped
T12 >> 1462301427.94891596 LCAO WFS Initialize (2810.43282s) started
T12 >> 1462301427.94895792 Density initialize from wavefunctions (528.25713s) started
T12 >> 1462301427.95342898 Calculate density matrix (366.24747s) started
T12 << 1462301437.78621793 Calculate density matrix (376.08025s) stopped
T12 >> 1462301437.78627610 Construct density (27.69374s) started
T12 << 1462301438.55431104 Construct density (28.46178s) stopped
T12 >> 1462301438.56833792 Symmetrize density (0.00298s) started
T12 << 1462301438.56841803 Symmetrize density (0.00306s) stopped
T12 << 1462301442.30693412 Density initialize from wavefunctions (542.61510s) stopped
T12 >> 1462301442.30720305 Hamiltonian (2281.25116s) started
T12 >> 1462301442.30722094 vbar (1.04965s) started
T12 << 1462301442.33639693 vbar (1.07883s) stopped
T12 >> 1462301442.33658004 XC 3D grid (1089.17319s) started
T12 >> 1462301442.80943799 van der Waals (1052.37457s) started
T12 >> 1462301442.92378807 semilocal (220.20204s) started
T12 << 1462301448.71908402 semilocal (225.99734s) stopped
T12 >> 1462301448.79990101 redistribute (123.98900s) started
T12 << 1462301449.76438403 redistribute (124.95348s) stopped
T12 >> 1462301449.76444507 libvdwxc nonlocal (700.90871s) started
T12 << 1462301467.71984005 libvdwxc nonlocal (718.86411s) stopped
T12 >> 1462301467.71992302 redistribute (124.95352s) started
T12 << 1462301469.66130304 redistribute (126.89490s) stopped
T12 << 1462301469.66257501 van der Waals (1079.22770s) stopped
T12 << 1462301470.12660694 XC 3D grid (1116.96322s) stopped
T12 >> 1462301470.12665796 Poisson (577.15115s) started
T12 << 1462301482.15061998 Poisson (589.17511s) stopped
T12 >> 1462301482.15076590 Hartree integrate/restrict (14.06588s) started
T12 << 1462301482.19354200 Hartree integrate/restrict (14.10866s) stopped
T12 >> 1462301482.19368911 Hartree integrate/restrict (14.10876s) started
T12 << 1462301482.51864600 Hartree integrate/restrict (14.43371s) stopped
T12 >> 1462301482.51876211 Atomic (89.88018s) started
T12 >> 1462301482.52112103 XC Correction (0.00143s) started
T12 << 1462301482.52115011 XC Correction (0.00146s) stopped
T12 << 1462301484.91028810 Atomic (92.27170s) stopped
T12 >> 1462301484.91048503 Communicate (509.88967s) started
T12 << 1462301502.03514194 Communicate (527.01433s) stopped
T12 << 1462301502.03517890 Hamiltonian (2340.97913s) stopped
T12 << 1462301502.03519392 LCAO WFS Initialize (2884.51909s) stopped
T12 << 1462301502.04748797 Initialization (4793.62779s) stopped
T12 >> 1462301502.07393694 SCF-cycle (65776.46997s) started
T12 >> 1462301502.07397509 LCAO eigensolver (33088.51929s) started
T12 >> 1462301502.07398796 Potential matrix (496.95136s) started
T12 << 1462301503.03521490 Potential matrix (497.91258s) stopped
T12 >> 1462301503.03529501 DistributedAtomicCorrection (202.87036s) started
T12 << 1462301503.45491004 DistributedAtomicCorrection (203.28997s) stopped
T12 >> 1462301503.45496011 Distribute overlap matrix (3737.98405s) started
T12 >> 1462301503.45499396 blocked summation (2088.39493s) started
T12 << 1462301507.79578209 blocked summation (2092.73572s) stopped
T12 >> 1462301507.80558491 Scalapack redistribute (1644.54695s) started
T12 << 1462301511.32022500 Scalapack redistribute (1648.06159s) stopped
T12 << 1462301511.32034302 Distribute overlap matrix (3745.84943s) stopped
T12 >> 1462301511.32606792 Blacs Orbital Layouts (27744.49615s) started
T12 >> 1462301511.33484507 General diagonalize (27631.28844s) started
T12 << 1462301566.55944395 General diagonalize (27686.51304s) stopped
T12 >> 1462301566.55952811 Redistribute coefs (4.17664s) started
T12 << 1462301566.56865597 Redistribute coefs (4.18577s) stopped
T12 >> 1462301566.56870604 Send coefs to domains (104.36398s) started
T12 << 1462301566.96844196 Send coefs to domains (104.76372s) stopped
T12 << 1462301566.96890593 Blacs Orbital Layouts (27800.13899s) stopped
T12 >> 1462301566.96893597 Calculate projections (903.69764s) started
T12 << 1462301568.74659109 Calculate projections (905.47529s) stopped
T12 << 1462301568.74681211 LCAO eigensolver (33155.19212s) stopped
T12 >> 1462301571.93130207 Density (7887.40064s) started
T12 >> 1462301571.93131709 Pseudo density (6099.25739s) started
T12 >> 1462301571.93337893 Calculate density matrix (5730.50103s) started
T12 << 1462301583.63747311 Calculate density matrix (5742.20512s) stopped
T12 >> 1462301583.63753104 Construct density (359.06077s) started
T12 << 1462301584.40679502 Construct density (359.83004s) stopped
T12 >> 1462301584.42070508 Symmetrize density (0.04101s) started
T12 << 1462301584.42078209 Symmetrize density (0.04109s) stopped
T12 << 1462301584.42278504 Pseudo density (6111.74886s) stopped
T12 >> 1462301584.42285705 Atomic density matrices (1575.85976s) started
T12 << 1462301587.86717200 Atomic density matrices (1579.30408s) stopped
T12 >> 1462301587.86720705 Multipole moments (5.47154s) started
T12 << 1462301587.88035107 Multipole moments (5.48468s) stopped
T12 >> 1462301587.88037395 Normalize (3.25991s) started
T12 << 1462301587.88660693 Normalize (3.26615s) stopped
T12 >> 1462301587.88666892 Mix (203.51465s) started
T12 << 1462301588.24668908 Mix (203.87467s) stopped
T12 << 1462301588.24680710 Density (7903.71615s) stopped
T12 >> 1462301588.24685597 Hamiltonian (23163.49682s) started
T12 >> 1462301588.24687600 vbar (12.98596s) started
T12 << 1462301588.27524304 vbar (13.01433s) stopped
T12 >> 1462301588.27537894 XC 3D grid (13591.48556s) started
T12 >> 1462301588.78355908 van der Waals (13129.07853s) started
T12 >> 1462301588.89350796 semilocal (2769.72731s) started
T12 << 1462301594.68109703 semilocal (2775.51490s) stopped
T12 >> 1462301594.75977302 redistribute (1421.33130s) started
T12 << 1462301595.76723504 redistribute (1422.33876s) stopped
T12 >> 1462301595.76728511 libvdwxc nonlocal (8846.40792s) started
T12 << 1462301614.34074306 libvdwxc nonlocal (8864.98138s) stopped
T12 >> 1462301614.34082103 redistribute (1422.33880s) started
T12 << 1462301616.37691998 redistribute (1424.37490s) stopped
T12 << 1462301616.37811208 van der Waals (13156.67309s) stopped
T12 << 1462301616.86497998 XC 3D grid (13620.07517s) stopped
T12 >> 1462301616.86502504 Poisson (2930.21073s) started
T12 << 1462301622.76472402 Poisson (2936.11043s) stopped
T12 >> 1462301622.76481700 Hartree integrate/restrict (177.54850s) started
T12 << 1462301622.80286193 Hartree integrate/restrict (177.58654s) stopped
T12 >> 1462301622.80300593 Hartree integrate/restrict (177.58664s) started
T12 << 1462301623.14641595 Hartree integrate/restrict (177.93005s) stopped
T12 >> 1462301623.14652491 Atomic (1147.42317s) started
T12 >> 1462301623.14854908 XC Correction (0.01579s) started
T12 << 1462301623.14856911 XC Correction (0.01581s) stopped
T12 << 1462301625.52592301 Atomic (1149.80257s) stopped
T12 >> 1462301625.52613091 Communicate (5303.64668s) started
T12 << 1462301642.69591188 Communicate (5320.81646s) stopped
T12 << 1462301642.69595408 Hamiltonian (23217.94591s) stopped
T12 >> 1462301642.69598103 LCAO eigensolver (33155.19215s) started
T12 >> 1462301642.69599509 Potential matrix (497.91263s) started
T12 << 1462301643.66559196 Potential matrix (498.88222s) stopped
T12 >> 1462301643.66566896 DistributedAtomicCorrection (203.29001s) started
T12 << 1462301644.08793592 DistributedAtomicCorrection (203.71228s) stopped
T12 >> 1462301644.08798409 Distribute overlap matrix (3745.84944s) started
T12 >> 1462301644.08802009 blocked summation (2092.73576s) started
T12 << 1462301648.44386101 blocked summation (2097.09160s) stopped
T12 >> 1462301648.45283198 Scalapack redistribute (1648.06167s) started
T12 << 1462301651.95985794 Scalapack redistribute (1651.56869s) stopped
T12 << 1462301651.95995402 Distribute overlap matrix (3753.72141s) stopped
T12 >> 1462301651.96449399 Blacs Orbital Layouts (27800.13901s) started
T12 >> 1462301651.97335291 General diagonalize (27686.51311s) started
T12 << 1462301706.37983108 General diagonalize (27740.91959s) stopped
T12 >> 1462301706.37991691 Redistribute coefs (4.18581s) started
T12 << 1462301706.38942790 Redistribute coefs (4.19532s) stopped
T12 >> 1462301706.38947701 Send coefs to domains (104.76375s) started
T12 << 1462301706.81304312 Send coefs to domains (105.18732s) stopped
T12 << 1462301706.81354499 Blacs Orbital Layouts (27854.98806s) stopped
T12 >> 1462301706.81357503 Calculate projections (905.47535s) started
T12 << 1462301708.59102511 Calculate projections (907.25280s) stopped
T12 << 1462301708.59123206 LCAO eigensolver (33221.08740s) stopped
T12 >> 1462301711.77544093 Density (7903.71616s) started
T12 >> 1462301711.77545691 Pseudo density (6111.74892s) started
T12 >> 1462301711.77768397 Calculate density matrix (5742.20516s) started
T12 << 1462301724.48618102 Calculate density matrix (5754.91366s) stopped
T12 >> 1462301724.48623610 Construct density (359.83010s) started
T12 << 1462301725.25480294 Construct density (360.59867s) stopped
T12 >> 1462301725.26899409 Symmetrize density (0.04111s) started
T12 << 1462301725.26907206 Symmetrize density (0.04119s) stopped
T12 << 1462301725.27106595 Pseudo density (6125.24453s) stopped
T12 >> 1462301725.27113295 Atomic density matrices (1579.30410s) started
T12 << 1462301728.72983909 Atomic density matrices (1582.76281s) stopped
T12 >> 1462301728.72987509 Multipole moments (5.48470s) started
T12 << 1462301728.74372697 Multipole moments (5.49855s) stopped
T12 >> 1462301728.74375105 Normalize (3.26619s) started
T12 << 1462301728.75001001 Normalize (3.27245s) stopped
T12 >> 1462301728.75008512 Mix (203.87478s) started
T12 << 1462301729.10242701 Mix (204.22712s) stopped
T12 << 1462301729.10247707 Density (7921.04320s) stopped
T12 >> 1462301729.10250401 Hamiltonian (23217.94593s) started
T12 >> 1462301729.10251808 vbar (13.01440s) started
T12 << 1462301729.12480998 vbar (13.03670s) stopped
T12 >> 1462301729.12491107 XC 3D grid (13620.07520s) started
T12 >> 1462301729.62442088 van der Waals (13156.67311s) started
T12 >> 1462301729.73236704 semilocal (2775.51498s) started
T12 << 1462301735.42985201 semilocal (2781.21246s) stopped
T12 >> 1462301735.51015806 redistribute (1424.37497s) started
T12 << 1462301736.60627198 redistribute (1425.47109s) stopped
T12 >> 1462301736.60635710 libvdwxc nonlocal (8864.98144s) started
T12 << 1462301754.58693194 libvdwxc nonlocal (8882.96202s) stopped
T12 >> 1462301754.58698606 redistribute (1425.47116s) started
T12 << 1462301756.60136604 redistribute (1427.48554s) stopped
T12 << 1462301756.60257697 van der Waals (13183.65127s) stopped
T12 << 1462301757.06967497 XC 3D grid (13648.01996s) stopped
T12 >> 1462301757.06972408 Poisson (2936.11049s) started
T12 << 1462301767.29214907 Poisson (2946.33292s) stopped
T12 >> 1462301767.29223394 Hartree integrate/restrict (177.93011s) started
T12 << 1462301767.33486009 Hartree integrate/restrict (177.97273s) stopped
T12 >> 1462301767.33495307 Hartree integrate/restrict (177.97279s) started
T12 << 1462301767.76698089 Hartree integrate/restrict (178.40482s) stopped
T12 >> 1462301767.76708102 Atomic (1149.80260s) started
T12 >> 1462301767.76896310 XC Correction (0.01582s) started
T12 << 1462301767.76897812 XC Correction (0.01584s) stopped
T12 << 1462301770.15711403 Atomic (1152.19263s) stopped
T12 >> 1462301770.15731001 Communicate (5320.81649s) started
T12 << 1462301787.30512094 Communicate (5337.96430s) stopped
T12 << 1462301787.30516195 Hamiltonian (23276.14859s) stopped
T12 >> 1462301787.30518889 LCAO eigensolver (33221.08741s) started
T12 >> 1462301787.30520201 Potential matrix (498.88227s) started
T12 << 1462301788.28274393 Potential matrix (499.85981s) stopped
T12 >> 1462301788.28283095 DistributedAtomicCorrection (203.71232s) started
T12 << 1462301788.70535994 DistributedAtomicCorrection (204.13485s) stopped
T12 >> 1462301788.70540810 Distribute overlap matrix (3753.72143s) started
T12 >> 1462301788.70544291 blocked summation (2097.09165s) started
T12 << 1462301793.07439995 blocked summation (2101.46060s) stopped
T12 >> 1462301793.08406401 Scalapack redistribute (1651.56875s) started
T12 << 1462301796.57004309 Scalapack redistribute (1655.05472s) stopped
T12 << 1462301796.57011795 Distribute overlap matrix (3761.58614s) stopped
T12 >> 1462301796.57486796 Blacs Orbital Layouts (27854.98808s) started
T12 >> 1462301796.58363605 General diagonalize (27740.91966s) started
T12 << 1462301849.74547791 General diagonalize (27794.08150s) stopped
T12 >> 1462301849.74552393 Redistribute coefs (4.19536s) started
T12 << 1462301849.75382996 Redistribute coefs (4.20367s) stopped
T12 >> 1462301849.75389600 Send coefs to domains (105.18736s) started
T12 << 1462301849.95951891 Send coefs to domains (105.39298s) stopped
T12 << 1462301849.96001005 Blacs Orbital Layouts (27908.37322s) stopped
T12 >> 1462301849.96003795 Calculate projections (907.25286s) started
T12 << 1462301851.72884011 Calculate projections (909.02166s) stopped
T12 << 1462301851.72932005 LCAO eigensolver (33285.51155s) stopped
T12 >> 1462301854.92989898 Density (7921.04321s) started
T12 >> 1462301854.92991495 Pseudo density (6125.24458s) started
T12 >> 1462301854.93246102 Calculate density matrix (5754.91370s) started
T12 << 1462301866.68398690 Calculate density matrix (5766.66523s) stopped
T12 >> 1462301866.68403506 Construct density (360.59873s) started
T12 << 1462301867.45352507 Construct density (361.36822s) stopped
T12 >> 1462301867.46987605 Symmetrize density (0.04120s) started
T12 << 1462301867.46994209 Symmetrize density (0.04127s) stopped
T12 << 1462301867.47240400 Pseudo density (6137.78707s) stopped
T12 >> 1462301867.47246289 Atomic density matrices (1582.76284s) started
T12 << 1462301870.89346409 Atomic density matrices (1586.18384s) stopped
T12 >> 1462301870.89349794 Multipole moments (5.49857s) started
T12 << 1462301870.90736008 Multipole moments (5.51243s) stopped
T12 >> 1462301870.90738392 Normalize (3.27250s) started
T12 << 1462301870.91400695 Normalize (3.27913s) stopped
T12 >> 1462301870.91404390 Mix (204.22717s) started
T12 << 1462301871.33891797 Mix (204.65205s) stopped
T12 << 1462301871.33898592 Density (7937.45230s) stopped
T12 >> 1462301871.33901310 Hamiltonian (23276.14860s) started
T12 >> 1462301871.33902788 vbar (13.03675s) started
T12 << 1462301871.36413097 vbar (13.06186s) stopped
T12 >> 1462301871.36427307 XC 3D grid (13648.02000s) started
T12 >> 1462301871.87513590 van der Waals (13183.65129s) started
T12 >> 1462301871.98937511 semilocal (2781.21254s) started
T12 << 1462301877.74360895 semilocal (2786.96677s) stopped
T12 >> 1462301877.81734300 redistribute (1427.48560s) started
T12 << 1462301878.82808709 redistribute (1428.49634s) stopped
T12 >> 1462301878.82815289 libvdwxc nonlocal (8882.96206s) started
T12 << 1462301897.16961694 libvdwxc nonlocal (8901.30352s) stopped
T12 >> 1462301897.16967607 redistribute (1428.49639s) started
T12 << 1462301898.84862399 redistribute (1430.17534s) stopped
T12 << 1462301898.84959793 van der Waals (13210.62575s) stopped
T12 << 1462301899.31312108 XC 3D grid (13675.96885s) stopped
T12 >> 1462301899.31315994 Poisson (2946.33298s) started
T12 << 1462301905.06202006 Poisson (2952.08184s) stopped
T12 >> 1462301905.06208897 Hartree integrate/restrict (178.40487s) started
T12 << 1462301905.10622191 Hartree integrate/restrict (178.44900s) stopped
T12 >> 1462301905.10635591 Hartree integrate/restrict (178.44911s) started
T12 << 1462301905.42882609 Hartree integrate/restrict (178.77158s) stopped
T12 >> 1462301905.42891788 Atomic (1152.19265s) started
T12 >> 1462301905.43073297 XC Correction (0.01585s) started
T12 << 1462301905.43075991 XC Correction (0.01588s) stopped
T12 << 1462301907.81644106 Atomic (1154.58018s) stopped
T12 >> 1462301907.81660509 Communicate (5337.96433s) started
T12 << 1462301924.75691795 Communicate (5354.90464s) stopped
T12 << 1462301924.75695491 Hamiltonian (23329.56654s) stopped
T12 >> 1462301924.75697899 LCAO eigensolver (33285.51156s) started
T12 >> 1462301924.75699210 Potential matrix (499.85985s) started
T12 << 1462301925.72787309 Potential matrix (500.83074s) stopped
T12 >> 1462301925.72795796 DistributedAtomicCorrection (204.13489s) started
T12 << 1462301926.14898992 DistributedAtomicCorrection (204.55592s) stopped
T12 >> 1462301926.14903688 Distribute overlap matrix (3761.58615s) started
T12 >> 1462301926.14907002 blocked summation (2101.46064s) started
T12 << 1462301930.60914397 blocked summation (2105.92071s) stopped
T12 >> 1462301930.61848402 Scalapack redistribute (1655.05476s) started
T12 << 1462301934.07990694 Scalapack redistribute (1658.51619s) stopped
T12 << 1462301934.08000207 Distribute overlap matrix (3769.51711s) stopped
T12 >> 1462301934.08442593 Blacs Orbital Layouts (27908.37324s) started
T12 >> 1462301934.09286308 General diagonalize (27794.08154s) started
T12 << 1462301987.00374389 General diagonalize (27846.99242s) stopped
T12 >> 1462301987.00379300 Redistribute coefs (4.20372s) started
T12 << 1462301987.01183796 Redistribute coefs (4.21176s) stopped
T12 >> 1462301987.01190805 Send coefs to domains (105.39301s) started
T12 << 1462301987.10913897 Send coefs to domains (105.49025s) stopped
T12 << 1462301987.10976291 Blacs Orbital Layouts (27961.39858s) stopped
T12 >> 1462301987.10979104 Calculate projections (909.02171s) started
T12 << 1462301988.87779093 Calculate projections (910.78971s) stopped
T12 << 1462301988.87814498 LCAO eigensolver (33349.63273s) stopped
T12 >> 1462301992.07443094 Density (7937.45231s) started
T12 >> 1462301992.07444501 Pseudo density (6137.78711s) started
T12 >> 1462301992.07749009 Calculate density matrix (5766.66526s) started
T12 << 1462302003.77910995 Calculate density matrix (5778.36688s) stopped
T12 >> 1462302003.77915907 Construct density (361.36827s) started
T12 << 1462302004.54691911 Construct density (362.13603s) stopped
T12 >> 1462302004.56342006 Symmetrize density (0.04129s) started
T12 << 1462302004.56348705 Symmetrize density (0.04135s) stopped
T12 << 1462302004.56592607 Pseudo density (6150.27860s) stopped
T12 >> 1462302004.56598496 Atomic density matrices (1586.18387s) started
T12 << 1462302008.03317809 Atomic density matrices (1589.65106s) stopped
T12 >> 1462302008.03320909 Multipole moments (5.51245s) started
T12 << 1462302008.04660606 Multipole moments (5.52584s) stopped
T12 >> 1462302008.04663706 Normalize (3.27915s) started
T12 << 1462302008.05349302 Normalize (3.28601s) stopped
T12 >> 1462302008.05353189 Mix (204.65211s) started
T12 << 1462302008.45679307 Mix (205.05537s) stopped
T12 << 1462302008.45684791 Density (7953.83473s) stopped
T12 >> 1462302008.45687389 Hamiltonian (23329.56655s) started
T12 >> 1462302008.45688796 vbar (13.06194s) started
T12 << 1462302008.48934793 vbar (13.09440s) stopped
T12 >> 1462302008.48944306 XC 3D grid (13675.96888s) started
T12 >> 1462302008.95811200 van der Waals (13210.62578s) started
T12 >> 1462302009.06986499 semilocal (2786.96685s) started
T12 << 1462302014.89083505 semilocal (2792.78782s) stopped
T12 >> 1462302014.96511889 redistribute (1430.17540s) started
T12 << 1462302015.90980506 redistribute (1431.12008s) stopped
T12 >> 1462302015.90987492 libvdwxc nonlocal (8901.30357s) started
T12 << 1462302034.31160498 libvdwxc nonlocal (8919.70530s) stopped
T12 >> 1462302034.31166697 redistribute (1431.12014s) started
T12 << 1462302035.99536204 redistribute (1432.80383s) stopped
T12 << 1462302035.99648809 van der Waals (13237.66416s) stopped
T12 << 1462302036.46411610 XC 3D grid (13703.94356s) stopped
T12 >> 1462302036.46415806 Poisson (2952.08189s) started
T12 << 1462302042.32465291 Poisson (2957.94239s) stopped
T12 >> 1462302042.32473397 Hartree integrate/restrict (178.77163s) started
T12 << 1462302042.36849308 Hartree integrate/restrict (178.81539s) stopped
T12 >> 1462302042.36857510 Hartree integrate/restrict (178.81545s) started
T12 << 1462302042.73135495 Hartree integrate/restrict (179.17823s) stopped
T12 >> 1462302042.73145008 Atomic (1154.58020s) started
T12 >> 1462302042.73323894 XC Correction (0.01589s) started
T12 << 1462302042.73325396 XC Correction (0.01590s) stopped
T12 << 1462302045.11319304 Atomic (1156.96194s) stopped
T12 >> 1462302045.11335492 Communicate (5354.90466s) started
T12 << 1462302061.06405711 Communicate (5370.85537s) stopped
T12 << 1462302061.06409407 Hamiltonian (23382.17377s) stopped
T12 >> 1462302061.06411791 LCAO eigensolver (33349.63275s) started
T12 >> 1462302061.06413102 Potential matrix (500.83078s) started
T12 << 1462302062.03880811 Potential matrix (501.80546s) stopped
T12 >> 1462302062.03889108 DistributedAtomicCorrection (204.55596s) started
T12 << 1462302062.46734190 DistributedAtomicCorrection (204.98441s) stopped
T12 >> 1462302062.46738911 Distribute overlap matrix (3769.51712s) started
T12 >> 1462302062.46742105 blocked summation (2105.92075s) started
T12 << 1462302066.82504606 blocked summation (2110.27837s) stopped
T12 >> 1462302066.83389711 Scalapack redistribute (1658.51625s) started
T12 << 1462302070.33379006 Scalapack redistribute (1662.01614s) stopped
T12 << 1462302070.33388090 Distribute overlap matrix (3777.38362s) stopped
T12 >> 1462302070.33828807 Blacs Orbital Layouts (27961.39860s) started
T12 >> 1462302070.34747791 General diagonalize (27846.99246s) started
T12 << 1462302124.20504498 General diagonalize (27900.85002s) stopped
T12 >> 1462302124.20509195 Redistribute coefs (4.21182s) started
T12 << 1462302124.21281290 Redistribute coefs (4.21954s) stopped
T12 >> 1462302124.21288300 Send coefs to domains (105.49028s) started
T12 << 1462302124.36079502 Send coefs to domains (105.63819s) stopped
T12 << 1462302124.36120009 Blacs Orbital Layouts (28015.42151s) stopped
T12 >> 1462302124.36122799 Calculate projections (910.78976s) started
T12 << 1462302126.13044405 Calculate projections (912.55897s) stopped
T12 << 1462302126.13062906 LCAO eigensolver (33414.69926s) stopped
T12 >> 1462302129.33369589 Density (7953.83474s) started
T12 >> 1462302129.33371091 Pseudo density (6150.27864s) started
T12 >> 1462302129.33618093 Calculate density matrix (5778.36691s) started
T12 << 1462302141.08229399 Calculate density matrix (5790.11302s) stopped
T12 >> 1462302141.08234310 Construct density (362.13608s) started
T12 << 1462302141.85262394 Construct density (362.90636s) stopped
T12 >> 1462302141.86917996 Symmetrize density (0.04137s) started
T12 << 1462302141.86924410 Symmetrize density (0.04143s) stopped
T12 << 1462302141.87167907 Pseudo density (6162.81661s) stopped
T12 >> 1462302141.87173796 Atomic density matrices (1589.65108s) started
T12 << 1462302145.30236197 Atomic density matrices (1593.08171s) stopped
T12 >> 1462302145.30239797 Multipole moments (5.52586s) started
T12 << 1462302145.31558204 Multipole moments (5.53904s) stopped
T12 >> 1462302145.31561399 Normalize (3.28604s) started
T12 << 1462302145.32346201 Normalize (3.29388s) stopped
T12 >> 1462302145.32350612 Mix (205.05543s) started
T12 << 1462302145.76452899 Mix (205.49645s) stopped
T12 << 1462302145.76455903 Density (7970.26561s) stopped
T12 >> 1462302145.76458406 Hamiltonian (23382.17378s) started
T12 >> 1462302145.76459908 vbar (13.09445s) started
T12 << 1462302145.78655791 vbar (13.11641s) stopped
T12 >> 1462302145.78665400 XC 3D grid (13703.94359s) started
T12 >> 1462302146.36125898 van der Waals (13237.66418s) started
T12 >> 1462302146.47692299 semilocal (2792.78788s) started
T12 << 1462302152.30083299 semilocal (2798.61179s) stopped
T12 >> 1462302152.37606001 redistribute (1432.80389s) started
T12 << 1462302153.34055400 redistribute (1433.76838s) stopped
T12 >> 1462302153.34065509 libvdwxc nonlocal (8919.70534s) started
T12 << 1462302172.75875306 libvdwxc nonlocal (8939.12344s) stopped
T12 >> 1462302172.75879788 redistribute (1433.76845s) started
T12 << 1462302174.46344090 redistribute (1435.47310s) stopped
T12 << 1462302174.46457291 van der Waals (13265.76749s) stopped
T12 << 1462302174.94459105 XC 3D grid (13733.10152s) stopped
T12 >> 1462302174.94464207 Poisson (2957.94245s) started
T12 << 1462302180.94172692 Poisson (2963.93953s) stopped
T12 >> 1462302180.94180989 Hartree integrate/restrict (179.17828s) started
T12 << 1462302181.00384688 Hartree integrate/restrict (179.24031s) stopped
T12 >> 1462302181.00389695 Hartree integrate/restrict (179.24034s) started
T12 << 1462302181.35457706 Hartree integrate/restrict (179.59102s) stopped
T12 >> 1462302181.35467410 Atomic (1156.96197s) started
T12 >> 1462302181.35647202 XC Correction (0.01591s) started
T12 << 1462302181.35648704 XC Correction (0.01593s) stopped
T12 << 1462302183.95144892 Atomic (1159.55874s) stopped
T12 >> 1462302183.95161510 Communicate (5370.85539s) started
T12 << 1462302198.96792603 Communicate (5385.87170s) stopped
T12 << 1462302198.96796393 Hamiltonian (23435.37716s) stopped
T12 >> 1462302198.96799111 LCAO eigensolver (33414.69928s) started
T12 >> 1462302198.96800399 Potential matrix (501.80551s) started
T12 << 1462302199.92623496 Potential matrix (502.76374s) stopped
T12 >> 1462302199.92632008 DistributedAtomicCorrection (204.98445s) started
T12 << 1462302200.36016512 DistributedAtomicCorrection (205.41829s) stopped
T12 >> 1462302200.36022902 Distribute overlap matrix (3777.38363s) started
T12 >> 1462302200.36025000 blocked summation (2110.27840s) started
T12 << 1462302204.75090194 blocked summation (2114.66905s) stopped
T12 >> 1462302204.75961590 Scalapack redistribute (1662.01620s) started
T12 << 1462302208.19790101 Scalapack redistribute (1665.45448s) stopped
T12 << 1462302208.19799399 Distribute overlap matrix (3785.22139s) stopped
T12 >> 1462302208.20234990 Blacs Orbital Layouts (28015.42153s) started
T12 >> 1462302208.21112490 General diagonalize (27900.85006s) started
T12 << 1462302263.95105004 General diagonalize (27956.58999s) stopped
T12 >> 1462302263.95112705 Redistribute coefs (4.21960s) started
T12 << 1462302263.96082497 Redistribute coefs (4.22930s) stopped
T12 >> 1462302263.96087599 Send coefs to domains (105.63823s) started
T12 << 1462302264.07267189 Send coefs to domains (105.75002s) stopped
T12 << 1462302264.07333112 Blacs Orbital Layouts (28071.29251s) stopped
T12 >> 1462302264.07336807 Calculate projections (912.55902s) started
T12 << 1462302265.85289502 Calculate projections (914.33855s) stopped
T12 << 1462302265.85313201 LCAO eigensolver (33481.58442s) stopped
T12 >> 1462302269.04336596 Density (7970.26562s) started
T12 >> 1462302269.04338193 Pseudo density (6162.81666s) started
T12 >> 1462302269.04576612 Calculate density matrix (5790.11306s) started
T12 << 1462302280.93738794 Calculate density matrix (5802.00468s) stopped
T12 >> 1462302280.93744302 Construct density (362.90641s) started
T12 << 1462302281.70697999 Construct density (363.67595s) stopped
T12 >> 1462302281.72113705 Symmetrize density (0.04145s) started
T12 << 1462302281.72120190 Symmetrize density (0.04152s) stopped
T12 << 1462302281.72331691 Pseudo density (6175.49659s) stopped
T12 >> 1462302281.72338510 Atomic density matrices (1593.08173s) started
T12 << 1462302285.10815096 Atomic density matrices (1596.46650s) stopped
T12 >> 1462302285.10818911 Multipole moments (5.53906s) started
T12 << 1462302285.12187791 Multipole moments (5.55275s) stopped
T12 >> 1462302285.12191010 Normalize (3.29392s) started
T12 << 1462302285.12843704 Normalize (3.30044s) stopped
T12 >> 1462302285.12854505 Mix (205.49648s) started
T12 << 1462302285.57486105 Mix (205.94280s) stopped
T12 << 1462302285.57491398 Density (7986.79717s) stopped
T12 >> 1462302285.57493901 Hamiltonian (23435.37718s) started
T12 >> 1462302285.57495403 vbar (13.11646s) started
T12 << 1462302285.59836507 vbar (13.13987s) stopped
T12 >> 1462302285.59845805 XC 3D grid (13733.10157s) started
T12 >> 1462302286.10606599 van der Waals (13265.76752s) started
T12 >> 1462302286.21452594 semilocal (2798.61187s) started
T12 << 1462302291.97532392 semilocal (2804.37267s) stopped
T12 >> 1462302292.04969811 redistribute (1435.47315s) started
T12 << 1462302293.07577896 redistribute (1436.49923s) stopped
T12 >> 1462302293.07586503 libvdwxc nonlocal (8939.12348s) started
T12 << 1462302311.17111897 libvdwxc nonlocal (8957.21873s) stopped
T12 >> 1462302311.17120099 redistribute (1436.49930s) started
T12 << 1462302313.18789792 redistribute (1438.51600s) stopped
T12 << 1462302313.18910003 van der Waals (13292.85056s) stopped
T12 << 1462302313.66025901 XC 3D grid (13761.16337s) stopped
T12 >> 1462302313.66032195 Poisson (2963.93959s) started
T12 << 1462302317.97843599 Poisson (2968.25771s) stopped
T12 >> 1462302317.97858000 Hartree integrate/restrict (179.59107s) started
T12 << 1462302318.01611710 Hartree integrate/restrict (179.62861s) stopped
T12 >> 1462302318.01622891 Hartree integrate/restrict (179.62869s) started
T12 << 1462302318.33689189 Hartree integrate/restrict (179.94935s) stopped
T12 >> 1462302318.33699799 Atomic (1159.55877s) started
T12 >> 1462302318.33894897 XC Correction (0.01594s) started
T12 << 1462302318.33897495 XC Correction (0.01597s) stopped
T12 << 1462302320.72537589 Atomic (1161.94715s) stopped
T12 >> 1462302320.72554803 Communicate (5385.87173s) started
T12 << 1462302335.90509009 Communicate (5401.05127s) stopped
T12 << 1462302335.90512395 Hamiltonian (23485.70736s) stopped
T12 >> 1462302335.90514803 LCAO eigensolver (33481.58444s) started
T12 >> 1462302335.90516210 Potential matrix (502.76379s) started
T12 << 1462302336.87003112 Potential matrix (503.72866s) stopped
T12 >> 1462302336.87012601 DistributedAtomicCorrection (205.41833s) started
T12 << 1462302337.30270600 DistributedAtomicCorrection (205.85091s) stopped
T12 >> 1462302337.30277205 Distribute overlap matrix (3785.22141s) started
T12 >> 1462302337.30279708 blocked summation (2114.66909s) started
T12 << 1462302341.69824100 blocked summation (2119.06453s) stopped
T12 >> 1462302341.70807910 Scalapack redistribute (1665.45454s) started
T12 << 1462302345.22577500 Scalapack redistribute (1668.97224s) stopped
T12 << 1462302345.22587705 Distribute overlap matrix (3793.14451s) stopped
T12 >> 1462302345.23023891 Blacs Orbital Layouts (28071.29253s) started
T12 >> 1462302345.23909903 General diagonalize (27956.59005s) started
T12 << 1462302399.45215201 General diagonalize (28010.80310s) stopped
T12 >> 1462302399.45220804 Redistribute coefs (4.22934s) started
T12 << 1462302399.46094489 Redistribute coefs (4.23807s) stopped
T12 >> 1462302399.46099806 Send coefs to domains (105.75006s) started
T12 << 1462302399.70961809 Send coefs to domains (105.99868s) stopped
T12 << 1462302399.71018195 Blacs Orbital Layouts (28125.77247s) stopped
T12 >> 1462302399.71021199 Calculate projections (914.33860s) started
T12 << 1462302401.49026299 Calculate projections (916.11865s) stopped
T12 << 1462302401.49065900 LCAO eigensolver (33547.16995s) stopped
T12 >> 1462302404.65578008 Density (7986.79718s) started
T12 >> 1462302404.65579605 Pseudo density (6175.49665s) started
T12 >> 1462302404.65797496 Calculate density matrix (5802.00472s) started
T12 << 1462302416.44910789 Calculate density matrix (5813.79585s) stopped
T12 >> 1462302416.44916391 Construct density (363.67601s) started
T12 << 1462302417.21996498 Construct density (364.44681s) stopped
T12 >> 1462302417.23427010 Symmetrize density (0.04154s) started
T12 << 1462302417.23433495 Symmetrize density (0.04160s) stopped
T12 << 1462302417.23645592 Pseudo density (6188.07731s) stopped
T12 >> 1462302417.23652697 Atomic density matrices (1596.46653s) started
T12 << 1462302420.61696696 Atomic density matrices (1599.84697s) stopped
T12 >> 1462302420.61700511 Multipole moments (5.55277s) started
T12 << 1462302420.63073111 Multipole moments (5.56649s) stopped
T12 >> 1462302420.63076401 Normalize (3.30052s) started
T12 << 1462302420.63685298 Normalize (3.30661s) stopped
T12 >> 1462302420.63694000 Mix (205.94285s) started
T12 << 1462302421.05077791 Mix (206.35669s) stopped
T12 << 1462302421.05084395 Density (8003.19225s) stopped
T12 >> 1462302421.05087090 Hamiltonian (23485.70737s) started
T12 >> 1462302421.05088711 vbar (13.13992s) started
T12 << 1462302421.07318807 vbar (13.16223s) stopped
T12 >> 1462302421.07334399 XC 3D grid (13761.16342s) started
T12 >> 1462302421.56987190 van der Waals (13292.85059s) started
T12 >> 1462302421.68047810 semilocal (2804.37276s) started
T12 << 1462302427.47582006 semilocal (2810.16810s) stopped
T12 >> 1462302427.54904008 redistribute (1438.51606s) started
T12 << 1462302428.56087899 redistribute (1439.52790s) stopped
T12 >> 1462302428.56095099 libvdwxc nonlocal (8957.21879s) started
T12 << 1462302446.62830710 libvdwxc nonlocal (8975.28615s) stopped
T12 >> 1462302446.62838888 redistribute (1439.52796s) started
T12 << 1462302448.79046798 redistribute (1441.69004s) stopped
T12 << 1462302448.79163098 van der Waals (13320.07235s) stopped
T12 << 1462302449.25607705 XC 3D grid (13789.34615s) stopped
T12 >> 1462302449.25612402 Poisson (2968.25782s) started
T12 << 1462302453.64322901 Poisson (2972.64492s) stopped
T12 >> 1462302453.64330196 Hartree integrate/restrict (179.94940s) started
T12 << 1462302453.68126202 Hartree integrate/restrict (179.98736s) stopped
T12 >> 1462302453.68134308 Hartree integrate/restrict (179.98741s) started
T12 << 1462302454.04524207 Hartree integrate/restrict (180.35131s) stopped
T12 >> 1462302454.04535890 Atomic (1161.94717s) started
T12 >> 1462302454.04730105 XC Correction (0.01598s) started
T12 << 1462302454.04731703 XC Correction (0.01600s) stopped
T12 << 1462302456.42819500 Atomic (1164.33001s) stopped
T12 >> 1462302456.42835999 Communicate (5401.05129s) started
T12 << 1462302471.60593295 Communicate (5416.22887s) stopped
T12 << 1462302471.60597610 Hamiltonian (23536.26248s) stopped
T12 >> 1462302471.60600400 LCAO eigensolver (33547.16997s) started
T12 >> 1462302471.60601807 Potential matrix (503.72871s) started
T12 << 1462302472.58228993 Potential matrix (504.70499s) stopped
T12 >> 1462302472.58237410 DistributedAtomicCorrection (205.85095s) started
T12 << 1462302473.01410389 DistributedAtomicCorrection (206.28268s) stopped
T12 >> 1462302473.01416993 Distribute overlap matrix (3793.14453s) started
T12 >> 1462302473.01419592 blocked summation (2119.06456s) started
T12 << 1462302477.40877390 blocked summation (2123.45914s) stopped
T12 >> 1462302477.41900992 Scalapack redistribute (1668.97229s) started
T12 << 1462302480.98462796 Scalapack redistribute (1672.53791s) stopped
T12 << 1462302480.98475695 Distribute overlap matrix (3801.11512s) stopped
T12 >> 1462302480.98899198 Blacs Orbital Layouts (28125.77249s) started
T12 >> 1462302480.99764395 General diagonalize (28010.80315s) started
T12 << 1462302536.14901209 General diagonalize (28065.95452s) stopped
T12 >> 1462302536.14909601 Redistribute coefs (4.23812s) started
T12 << 1462302536.15747690 Redistribute coefs (4.24650s) stopped
T12 >> 1462302536.15754008 Send coefs to domains (105.99872s) started
T12 << 1462302536.30116510 Send coefs to domains (106.14234s) stopped
T12 << 1462302536.30183196 Blacs Orbital Layouts (28181.08533s) stopped
T12 >> 1462302536.30186105 Calculate projections (916.11871s) started
T12 << 1462302538.07099509 Calculate projections (917.88785s) stopped
T12 << 1462302538.07147193 LCAO eigensolver (33613.63544s) stopped
T12 >> 1462302541.23852611 Density (8003.19226s) started
T12 >> 1462302541.23854303 Pseudo density (6188.07736s) started
T12 >> 1462302541.24117708 Calculate density matrix (5813.79589s) started
T12 << 1462302553.00171304 Calculate density matrix (5825.55643s) stopped
T12 >> 1462302553.00176191 Construct density (364.44687s) started
T12 << 1462302553.77122402 Construct density (365.21633s) stopped
T12 >> 1462302553.78778100 Symmetrize density (0.04162s) started
T12 << 1462302553.78784609 Symmetrize density (0.04169s) stopped
T12 << 1462302553.79026103 Pseudo density (6200.62908s) stopped
T12 >> 1462302553.79031610 Atomic density matrices (1599.84700s) started
T12 << 1462302557.20051289 Atomic density matrices (1603.25719s) stopped
T12 >> 1462302557.20054603 Multipole moments (5.56651s) started
T12 << 1462302557.21433306 Multipole moments (5.58030s) stopped
T12 >> 1462302557.21436191 Normalize (3.30667s) started
T12 << 1462302557.22334409 Normalize (3.31565s) stopped
T12 >> 1462302557.22339606 Mix (206.35675s) started
T12 << 1462302557.68576407 Mix (206.81912s) stopped
T12 << 1462302557.68579888 Density (8019.63953s) stopped
T12 >> 1462302557.68582296 Hamiltonian (23536.26249s) started
T12 >> 1462302557.68583703 vbar (13.16232s) started
T12 << 1462302557.71491408 vbar (13.19139s) stopped
T12 >> 1462302557.71505904 XC 3D grid (13789.34619s) started
T12 >> 1462302558.20206904 van der Waals (13320.07237s) started
T12 >> 1462302558.31667709 semilocal (2810.16816s) started
T12 << 1462302564.08391500 semilocal (2815.93540s) stopped
T12 >> 1462302564.15864205 redistribute (1441.69010s) started
T12 << 1462302565.17567492 redistribute (1442.70713s) stopped
T12 >> 1462302565.17574096 libvdwxc nonlocal (8975.28621s) started
T12 << 1462302584.71809196 libvdwxc nonlocal (8994.82856s) stopped
T12 >> 1462302584.71815395 redistribute (1442.70719s) started
T12 << 1462302586.39918709 redistribute (1444.38822s) stopped
T12 << 1462302586.40032196 van der Waals (13348.27062s) stopped
T12 << 1462302586.87093997 XC 3D grid (13818.50207s) stopped
T12 >> 1462302586.87100291 Poisson (2972.64497s) started
T12 << 1462302591.32313299 Poisson (2977.09710s) stopped
T12 >> 1462302591.32324004 Hartree integrate/restrict (180.35137s) started
T12 << 1462302591.38056803 Hartree integrate/restrict (180.40870s) stopped
T12 >> 1462302591.38061905 Hartree integrate/restrict (180.40873s) started
T12 << 1462302591.68911600 Hartree integrate/restrict (180.71723s) stopped
T12 >> 1462302591.68921709 Atomic (1164.33004s) started
T12 >> 1462302591.69103408 XC Correction (0.01601s) started
T12 << 1462302591.69105101 XC Correction (0.01602s) stopped
T12 << 1462302594.07123995 Atomic (1166.71206s) stopped
T12 >> 1462302594.07137489 Communicate (5416.22889s) started
T12 << 1462302609.32188392 Communicate (5431.47940s) stopped
T12 << 1462302609.32192302 Hamiltonian (23587.89859s) stopped
T12 >> 1462302609.32194996 LCAO eigensolver (33613.63545s) started
T12 >> 1462302609.32196307 Potential matrix (504.70503s) started
T12 << 1462302610.29621005 Potential matrix (505.67928s) stopped
T12 >> 1462302610.29627895 DistributedAtomicCorrection (206.28272s) started
T12 << 1462302610.71802306 DistributedAtomicCorrection (206.70446s) stopped
T12 >> 1462302610.71808505 Distribute overlap matrix (3801.11513s) started
T12 >> 1462302610.71810699 blocked summation (2123.45918s) started
T12 << 1462302615.11939096 blocked summation (2127.86046s) stopped
T12 >> 1462302615.12955809 Scalapack redistribute (1672.53799s) started
T12 << 1462302618.76580310 Scalapack redistribute (1676.17423s) stopped
T12 << 1462302618.76588988 Distribute overlap matrix (3809.16293s) stopped
T12 >> 1462302618.77116299 Blacs Orbital Layouts (28181.08535s) started
T12 >> 1462302618.78011298 General diagonalize (28065.95459s) started
T12 << 1462302671.79927397 General diagonalize (28118.97375s) stopped
T12 >> 1462302671.79932499 Redistribute coefs (4.24655s) started
T12 << 1462302671.80735302 Redistribute coefs (4.25458s) stopped
T12 >> 1462302671.80741906 Send coefs to domains (106.14237s) started
T12 << 1462302671.99078393 Send coefs to domains (106.32574s) stopped
T12 << 1462302671.99134302 Blacs Orbital Layouts (28234.30553s) stopped
T12 >> 1462302671.99136996 Calculate projections (917.88790s) started
T12 << 1462302673.75981307 Calculate projections (919.65634s) stopped
T12 << 1462302673.76016498 LCAO eigensolver (33678.07367s) stopped
T12 >> 1462302676.93277407 Density (8019.63954s) started
T12 >> 1462302676.93279290 Pseudo density (6200.62913s) started
T12 >> 1462302676.93532491 Calculate density matrix (5825.55646s) started
T12 << 1462302688.71763611 Calculate density matrix (5837.33877s) stopped
T12 >> 1462302688.71768498 Construct density (365.21638s) started
T12 << 1462302689.48721290 Construct density (365.98591s) stopped
T12 >> 1462302689.50369096 Symmetrize density (0.04171s) started
T12 << 1462302689.50374889 Symmetrize density (0.04176s) stopped
T12 << 1462302689.50616503 Pseudo density (6213.20250s) stopped
T12 >> 1462302689.50622201 Atomic density matrices (1603.25722s) started
T12 << 1462302692.92535710 Atomic density matrices (1606.67635s) stopped
T12 >> 1462302692.92539001 Multipole moments (5.58031s) started
T12 << 1462302692.93940806 Multipole moments (5.59433s) stopped
T12 >> 1462302692.93943906 Normalize (3.31569s) started
T12 << 1462302692.94614697 Normalize (3.32239s) stopped
T12 >> 1462302692.94619107 Mix (206.81915s) started
T12 << 1462302693.37629700 Mix (207.24926s) stopped
T12 << 1462302693.37635398 Density (8036.08312s) stopped
T12 >> 1462302693.37638307 Hamiltonian (23587.89861s) started
T12 >> 1462302693.37639689 vbar (13.19148s) started
T12 << 1462302693.40664101 vbar (13.22172s) stopped
T12 >> 1462302693.40681696 XC 3D grid (13818.50212s) started
T12 >> 1462302693.87961602 van der Waals (13348.27065s) started
T12 >> 1462302693.99458003 semilocal (2815.93548s) started
T12 << 1462302699.77660608 semilocal (2821.71750s) stopped
T12 >> 1462302699.85402894 redistribute (1444.38828s) started
T12 << 1462302700.87722397 redistribute (1445.41147s) stopped
T12 >> 1462302700.87728906 libvdwxc nonlocal (8994.82861s) started
T12 << 1462302719.29849505 libvdwxc nonlocal (9013.24981s) stopped
T12 >> 1462302719.29856110 redistribute (1445.41153s) started
T12 << 1462302721.01334596 redistribute (1447.12631s) stopped
T12 << 1462302721.01432300 van der Waals (13375.40535s) stopped
T12 << 1462302721.47715712 XC 3D grid (13846.57246s) stopped
T12 >> 1462302721.47721291 Poisson (2977.09719s) started
T12 << 1462302725.86946106 Poisson (2981.48944s) stopped
T12 >> 1462302725.86952090 Hartree integrate/restrict (180.71728s) started
T12 << 1462302725.91561198 Hartree integrate/restrict (180.76337s) stopped
T12 >> 1462302725.91566205 Hartree integrate/restrict (180.76340s) started
T12 << 1462302726.29525089 Hartree integrate/restrict (181.14299s) stopped
T12 >> 1462302726.29532099 Atomic (1166.71208s) started
T12 >> 1462302726.29702806 XC Correction (0.01603s) started
T12 << 1462302726.29704309 XC Correction (0.01605s) stopped
T12 << 1462302728.65360308 Atomic (1169.07037s) stopped
T12 >> 1462302728.65373397 Communicate (5431.47943s) started
T12 << 1462302743.88135695 Communicate (5446.70705s) stopped
T12 << 1462302743.88139200 Hamiltonian (23638.40362s) stopped
T12 >> 1462302743.88141704 LCAO eigensolver (33678.07369s) started
T12 >> 1462302743.88142991 Potential matrix (505.67932s) started
T12 << 1462302744.85037494 Potential matrix (506.64826s) stopped
T12 >> 1462302744.85044408 DistributedAtomicCorrection (206.70450s) started
T12 << 1462302745.28241301 DistributedAtomicCorrection (207.13647s) stopped
T12 >> 1462302745.28247595 Distribute overlap matrix (3809.16295s) started
T12 >> 1462302745.28249693 blocked summation (2127.86050s) started
T12 << 1462302749.66911101 blocked summation (2132.24711s) stopped
T12 >> 1462302749.67981791 Scalapack redistribute (1676.17427s) started
T12 << 1462302753.32783103 Scalapack redistribute (1679.82229s) stopped
T12 << 1462302753.32790995 Distribute overlap matrix (3817.20838s) stopped
T12 >> 1462302753.33295798 Blacs Orbital Layouts (28234.30555s) started
T12 >> 1462302753.34163094 General diagonalize (28118.97379s) started
T12 << 1462302806.23352194 General diagonalize (28171.86568s) stopped
T12 >> 1462302806.23356795 Redistribute coefs (4.25463s) started
T12 << 1462302806.24122810 Redistribute coefs (4.26229s) stopped
T12 >> 1462302806.24130988 Send coefs to domains (106.32577s) started
T12 << 1462302806.35127306 Send coefs to domains (106.43573s) stopped
T12 << 1462302806.35186005 Blacs Orbital Layouts (28287.32445s) stopped
T12 >> 1462302806.35188699 Calculate projections (919.65639s) started
T12 << 1462302808.12127399 Calculate projections (921.42578s) stopped
T12 << 1462302808.12162995 LCAO eigensolver (33742.31390s) stopped
T12 >> 1462302811.32018995 Density (8036.08314s) started
T12 >> 1462302811.32020497 Pseudo density (6213.20254s) started
T12 >> 1462302811.32294011 Calculate density matrix (5837.33881s) started
T12 << 1462302823.03720593 Calculate density matrix (5849.05307s) stopped
T12 >> 1462302823.03725290 Construct density (365.98599s) started
T12 << 1462302823.80671692 Construct density (366.75545s) stopped
T12 >> 1462302823.82313704 Symmetrize density (0.04178s) started
T12 << 1462302823.82320189 Symmetrize density (0.04184s) stopped
T12 << 1462302823.82562399 Pseudo density (6225.70796s) stopped
T12 >> 1462302823.82568312 Atomic density matrices (1606.67638s) started
T12 << 1462302827.28215504 Atomic density matrices (1610.13285s) stopped
T12 >> 1462302827.28218889 Multipole moments (5.59435s) started
T12 << 1462302827.29594493 Multipole moments (5.60810s) stopped
T12 >> 1462302827.29597712 Normalize (3.32243s) started
T12 << 1462302827.30281401 Normalize (3.32926s) stopped
T12 >> 1462302827.30285501 Mix (207.24932s) started
T12 << 1462302827.75819206 Mix (207.70465s) stopped
T12 << 1462302827.75824809 Density (8052.52120s) stopped
T12 >> 1462302827.75827599 Hamiltonian (23638.40363s) started
T12 >> 1462302827.75829101 vbar (13.22182s) started
T12 << 1462302827.78876591 vbar (13.25230s) stopped
T12 >> 1462302827.78890991 XC 3D grid (13846.57251s) started
T12 >> 1462302828.25626707 van der Waals (13375.40538s) started
T12 >> 1462302828.37067103 semilocal (2821.71761s) started
T12 << 1462302834.22370005 semilocal (2827.57063s) stopped
T12 >> 1462302834.29929996 redistribute (1447.12637s) started
T12 << 1462302835.23154402 redistribute (1448.05861s) stopped
T12 >> 1462302835.23161507 libvdwxc nonlocal (9013.24987s) started
T12 << 1462302854.25580597 libvdwxc nonlocal (9032.27406s) stopped
T12 >> 1462302854.25587201 redistribute (1448.05867s) started
T12 << 1462302855.95939398 redistribute (1449.76219s) stopped
T12 << 1462302855.96053004 van der Waals (13403.10964s) stopped
T12 << 1462302856.42489696 XC 3D grid (13875.20849s) stopped
T12 >> 1462302856.42495704 Poisson (2981.48948s) started
T12 << 1462302860.88675809 Poisson (2985.95128s) stopped
T12 >> 1462302860.88684297 Hartree integrate/restrict (181.14302s) started
T12 << 1462302860.93735790 Hartree integrate/restrict (181.19354s) stopped
T12 >> 1462302860.93740106 Hartree integrate/restrict (181.19356s) started
T12 << 1462302861.24899912 Hartree integrate/restrict (181.50516s) stopped
T12 >> 1462302861.24909401 Atomic (1169.07039s) started
T12 >> 1462302861.25081897 XC Correction (0.01606s) started
T12 << 1462302861.25083590 XC Correction (0.01608s) stopped
T12 << 1462302863.63175106 Atomic (1171.45304s) stopped
T12 >> 1462302863.63187695 Communicate (5446.70707s) started
T12 << 1462302879.00366712 Communicate (5462.07886s) stopped
T12 << 1462302879.00370502 Hamiltonian (23689.64906s) stopped
T12 >> 1462302879.00373101 LCAO eigensolver (33742.31392s) started
T12 >> 1462302879.00374389 Potential matrix (506.64830s) started
T12 << 1462302879.97697401 Potential matrix (507.62153s) stopped
T12 >> 1462302879.97705293 DistributedAtomicCorrection (207.13651s) started
T12 << 1462302880.40699100 DistributedAtomicCorrection (207.56645s) stopped
T12 >> 1462302880.40705395 Distribute overlap matrix (3817.20840s) started
T12 >> 1462302880.40707588 blocked summation (2132.24714s) started
T12 << 1462302884.83581090 blocked summation (2136.67588s) stopped
T12 >> 1462302884.84576797 Scalapack redistribute (1679.82232s) started
T12 << 1462302888.39869809 Scalapack redistribute (1683.37525s) stopped
T12 << 1462302888.39876509 Distribute overlap matrix (3825.20011s) stopped
T12 >> 1462302888.40329409 Blacs Orbital Layouts (28287.32447s) started
T12 >> 1462302888.41222000 General diagonalize (28171.86572s) started
T12 << 1462302943.37543011 General diagonalize (28226.82893s) stopped
T12 >> 1462302943.37547708 Redistribute coefs (4.26235s) started
T12 << 1462302943.38355994 Redistribute coefs (4.27044s) stopped
T12 >> 1462302943.38362598 Send coefs to domains (106.43577s) started
T12 << 1462302943.72138405 Send coefs to domains (106.77353s) stopped
T12 << 1462302943.72191501 Blacs Orbital Layouts (28342.64309s) stopped
T12 >> 1462302943.72194290 Calculate projections (921.42582s) started
T12 << 1462302945.49280095 Calculate projections (923.19668s) stopped
T12 << 1462302945.49315500 LCAO eigensolver (33808.80334s) stopped
T12 >> 1462302948.68498707 Density (8052.52121s) started
T12 >> 1462302948.68500209 Pseudo density (6225.70801s) started
T12 >> 1462302948.68743110 Calculate density matrix (5849.05310s) started
T12 << 1462302960.38795400 Calculate density matrix (5860.75363s) stopped
T12 >> 1462302960.38800192 Construct density (366.75550s) started
T12 << 1462302961.15698695 Construct density (367.52449s) stopped
T12 >> 1462302961.17339706 Symmetrize density (0.04186s) started
T12 << 1462302961.17345405 Symmetrize density (0.04192s) stopped
T12 << 1462302961.17588401 Pseudo density (6238.19889s) stopped
T12 >> 1462302961.17594194 Atomic density matrices (1610.13287s) started
T12 << 1462302964.57393503 Atomic density matrices (1613.53087s) stopped
T12 >> 1462302964.57396889 Multipole moments (5.60812s) started
T12 << 1462302964.58780789 Multipole moments (5.62196s) stopped
T12 >> 1462302964.58783889 Normalize (3.32929s) started
T12 << 1462302964.59556198 Normalize (3.33701s) stopped
T12 >> 1462302964.59560299 Mix (207.70471s) started
T12 << 1462302965.02487707 Mix (208.13398s) stopped
T12 << 1462302965.02493095 Density (8068.86115s) stopped
T12 >> 1462302965.02495503 Hamiltonian (23689.64907s) started
T12 >> 1462302965.02497005 vbar (13.25237s) started
T12 << 1462302965.04892397 vbar (13.27632s) stopped
T12 >> 1462302965.04906988 XC 3D grid (13875.20854s) started
T12 >> 1462302965.54219794 van der Waals (13403.10967s) started
T12 >> 1462302965.65782595 semilocal (2827.57072s) started
T12 << 1462302971.47325397 semilocal (2833.38615s) stopped
T12 >> 1462302971.54769301 redistribute (1449.76224s) started
T12 << 1462302972.55546498 redistribute (1450.77002s) stopped
T12 >> 1462302972.55554891 libvdwxc nonlocal (9032.27411s) started
T12 << 1462302990.96380711 libvdwxc nonlocal (9050.68237s) stopped
T12 >> 1462302990.96387100 redistribute (1450.77007s) started
T12 << 1462302992.74091196 redistribute (1452.54711s) stopped
T12 << 1462302992.74190998 van der Waals (13430.30938s) stopped
T12 << 1462302993.21319795 XC 3D grid (13903.37267s) stopped
T12 >> 1462302993.21323895 Poisson (2985.95135s) started
T12 << 1462302997.56808901 Poisson (2990.30620s) stopped
T12 >> 1462302997.56817389 Hartree integrate/restrict (181.50521s) started
T12 << 1462302997.61514497 Hartree integrate/restrict (181.55218s) stopped
T12 >> 1462302997.61518788 Hartree integrate/restrict (181.55221s) started
T12 << 1462302997.93391991 Hartree integrate/restrict (181.87094s) stopped
T12 >> 1462302997.93400788 Atomic (1171.45307s) started
T12 >> 1462302997.93568110 XC Correction (0.01609s) started
T12 << 1462302997.93569589 XC Correction (0.01610s) stopped
T12 << 1462303000.31529689 Atomic (1173.83436s) stopped
T12 >> 1462303000.31541491 Communicate (5462.07889s) started
T12 << 1462303015.58888698 Communicate (5477.35236s) stopped
T12 << 1462303015.58892608 Hamiltonian (23740.21304s) stopped
T12 >> 1462303015.58895206 LCAO eigensolver (33808.80336s) started
T12 >> 1462303015.58896399 Potential matrix (507.62158s) started
T12 << 1462303016.56801796 Potential matrix (508.60063s) stopped
T12 >> 1462303016.56809711 DistributedAtomicCorrection (207.56649s) started
T12 << 1462303016.99438095 DistributedAtomicCorrection (207.99277s) stopped
T12 >> 1462303016.99444199 Distribute overlap matrix (3825.20012s) started
T12 >> 1462303016.99446392 blocked summation (2136.67591s) started
T12 << 1462303021.41897798 blocked summation (2141.10042s) stopped
T12 >> 1462303021.42886996 Scalapack redistribute (1683.37529s) started
T12 << 1462303025.01205611 Scalapack redistribute (1686.95848s) stopped
T12 << 1462303025.01215196 Distribute overlap matrix (3833.21783s) stopped
T12 >> 1462303025.01635408 Blacs Orbital Layouts (28342.64311s) started
T12 >> 1462303025.02533293 General diagonalize (28226.82897s) started
T12 << 1462303077.45836496 General diagonalize (28279.26200s) stopped
T12 >> 1462303077.45841193 Redistribute coefs (4.27049s) started
T12 << 1462303077.46632004 Redistribute coefs (4.27840s) stopped
T12 >> 1462303077.46638894 Send coefs to domains (106.77359s) started
T12 << 1462303077.55487990 Send coefs to domains (106.86208s) stopped
T12 << 1462303077.55524993 Blacs Orbital Layouts (28395.18201s) stopped
T12 >> 1462303077.55528402 Calculate projections (923.19673s) started
T12 << 1462303079.32660890 Calculate projections (924.96806s) stopped
T12 << 1462303079.32697010 LCAO eigensolver (33872.54138s) stopped
T12 << 1462303082.49697208 SCF-cycle (67356.89300s) stopped
T12 >> 1462303084.45727801 Force calculation (2899.03707s) started
T12 >> 1462303084.45735693 LCAO forces (2867.52158s) started
T12 >> 1462303084.45772099 Initial (0.00084s) started
T12 << 1462303084.45773196 Initial (0.00086s) stopped
T12 >> 1462303084.46443105 Get density matrix (1506.53773s) started
T12 << 1462303093.63165593 Get density matrix (1515.70495s) stopped
T12 >> 1462303093.63169599 Potential (227.10788s) started
T12 << 1462303099.76785302 Potential (233.24404s) stopped
T12 >> 1462303099.76790905 Get density matrix (1515.70499s) started
T12 << 1462303130.83521605 Get density matrix (1546.77229s) stopped
T12 >> 1462303130.83527207 Prepare TCI loop (79.55027s) started
T12 >> 1462303130.83577704 Get neighbors (71.89009s) started
T12 << 1462303132.68608809 Get neighbors (73.74040s) stopped
T12 >> 1462303132.68707395 broadcast dH (7.61839s) started
T12 << 1462303133.04152107 broadcast dH (7.97284s) stopped
T12 << 1462303133.04156303 Prepare TCI loop (81.75656s) stopped
T12 >> 1462303133.04158306 Not so complicated loop (4.40747s) started
T12 << 1462303133.15709805 Not so complicated loop (4.52299s) stopped
T12 >> 1462303133.27189708 Complicated loop (685.92824s) started
T12 << 1462303152.24613500 Complicated loop (704.90248s) stopped
T12 >> 1462303152.24708390 Wait for sum (359.24999s) started
T12 << 1462303162.40332103 Wait for sum (369.40622s) stopped
T12 << 1462303162.40335703 LCAO forces (2945.46758s) stopped
T12 << 1462303163.22716308 Force calculation (2977.80696s) stopped
T12 >> 1462303163.24496102 Initialization (4793.62781s) started
T12 << 1462303163.24513412 Initialization (4793.62798s) stopped
T12 >> 1462303163.24535394 Initialization (4793.62799s) started
T12 << 1462303163.24548793 Initialization (4793.62813s) stopped
T12 >> 1462303163.24562502 Initialization (4793.62814s) started
T12 << 1462303163.24575400 Initialization (4793.62827s) stopped
T12 >> 1462303183.64842796 Initialization (4793.62829s) started
T12 >> 1462303183.71627307 Basic WFS set positions (3.33928s) started
T12 >> 1462303183.71629596 Redistribute (0.01238s) started
T12 << 1462303183.71642995 Redistribute (0.01251s) stopped
T12 << 1462303183.80514598 Basic WFS set positions (3.42815s) stopped
T12 >> 1462303183.80517006 Basis functions set positions (68.97213s) started
T12 << 1462303185.71693707 Basis functions set positions (70.88390s) stopped
T12 >> 1462303185.71738100 TCI: Calculate S, T, P (576.43787s) started
T12 << 1462303201.09113097 TCI: Calculate S, T, P (591.81162s) stopped
T12 >> 1462303201.09118509 blocked summation (847.87863s) started
T12 << 1462303227.90999389 blocked summation (874.69744s) stopped
T12 >> 1462303227.91986799 Scalapack redistribute (336.46693s) started
T12 << 1462303237.67914891 Scalapack redistribute (346.22621s) stopped
T12 >> 1462303237.68030095 blocked summation (874.69748s) started
T12 << 1462303238.73412490 blocked summation (875.75130s) stopped
T12 >> 1462303238.74398994 Scalapack redistribute (346.22626s) started
T12 << 1462303238.96734691 Scalapack redistribute (346.44962s) stopped
T12 >> 1462303238.96964788 Redistribute (0.09577s) started
T12 << 1462303238.97016191 Redistribute (0.09628s) stopped
T12 >> 1462303240.67867804 Redistribute (0.09630s) started
T12 << 1462303240.67914200 Redistribute (0.09676s) stopped
T12 >> 1462303240.69414306 LCAO WFS Initialize (2884.51911s) started
T12 >> 1462303240.69423509 Density initialize from wavefunctions (542.61515s) started
T12 >> 1462303240.69940805 Calculate density matrix (376.08029s) started
T12 << 1462303250.52878809 Calculate density matrix (385.90967s) stopped
T12 >> 1462303250.52883697 Construct density (28.46184s) started
T12 << 1462303251.29552007 Construct density (29.22852s) stopped
T12 >> 1462303251.31053305 Symmetrize density (0.00308s) started
T12 << 1462303251.31059790 Symmetrize density (0.00314s) stopped
T12 << 1462303255.02703404 Density initialize from wavefunctions (556.94795s) stopped
T12 >> 1462303255.02738905 Hamiltonian (2340.97915s) started
T12 >> 1462303255.02740908 vbar (1.07894s) started
T12 << 1462303255.05378604 vbar (1.10532s) stopped
T12 >> 1462303255.05387402 XC 3D grid (1116.96326s) started
T12 >> 1462303255.58034110 van der Waals (1079.22773s) started
T12 >> 1462303255.69001293 semilocal (225.99743s) started
T12 << 1462303261.51031089 semilocal (231.81772s) stopped
T12 >> 1462303261.58433294 redistribute (126.89496s) started
T12 << 1462303262.53050804 redistribute (127.84113s) stopped
T12 >> 1462303262.53056407 libvdwxc nonlocal (718.86417s) started
T12 << 1462303281.20960498 libvdwxc nonlocal (737.54321s) stopped
T12 >> 1462303281.20966911 redistribute (127.84117s) started
T12 << 1462303283.02346492 redistribute (129.65496s) stopped
T12 << 1462303283.02443910 van der Waals (1106.67183s) stopped
T12 << 1462303283.48676705 XC 3D grid (1145.39615s) stopped
T12 >> 1462303283.48681092 Poisson (589.17522s) started
T12 << 1462303295.14000511 Poisson (600.82841s) stopped
T12 >> 1462303295.14013100 Hartree integrate/restrict (14.43377s) started
T12 << 1462303295.18698406 Hartree integrate/restrict (14.48063s) stopped
T12 >> 1462303295.18703294 Hartree integrate/restrict (14.48066s) started
T12 << 1462303295.52648997 Hartree integrate/restrict (14.82011s) stopped
T12 >> 1462303295.52664304 Atomic (92.27173s) started
T12 >> 1462303295.52901411 XC Correction (0.00147s) started
T12 << 1462303295.52903390 XC Correction (0.00149s) stopped
T12 << 1462303297.89755702 Atomic (94.64264s) stopped
T12 >> 1462303297.89772701 Communicate (527.01435s) started
T12 << 1462303315.21875191 Communicate (544.33538s) stopped
T12 << 1462303315.21879292 Hamiltonian (2401.17055s) stopped
T12 << 1462303315.21880794 LCAO WFS Initialize (2959.04378s) stopped
T12 << 1462303315.23100090 Initialization (4925.21086s) stopped
T12 >> 1462303315.25706697 SCF-cycle (67356.89302s) started
T12 >> 1462303315.25710297 LCAO eigensolver (33872.54140s) started
T12 >> 1462303315.25711489 Potential matrix (508.60067s) started
T12 << 1462303316.22854304 Potential matrix (509.57210s) stopped
T12 >> 1462303316.22860599 DistributedAtomicCorrection (207.99281s) started
T12 << 1462303316.65746903 DistributedAtomicCorrection (208.42167s) stopped
T12 >> 1462303316.65751505 Distribute overlap matrix (3833.21784s) started
T12 >> 1462303316.65754604 blocked summation (2141.10045s) started
T12 << 1462303321.02028608 blocked summation (2145.46319s) stopped
T12 >> 1462303321.03027511 Scalapack redistribute (1686.95854s) started
T12 << 1462303324.48817992 Scalapack redistribute (1690.41644s) stopped
T12 << 1462303324.48825693 Distribute overlap matrix (3841.04858s) stopped
T12 >> 1462303324.49324894 Blacs Orbital Layouts (28395.18203s) started
T12 >> 1462303324.50259209 General diagonalize (28279.26204s) started
T12 << 1462303378.36062503 General diagonalize (28333.12007s) stopped
T12 >> 1462303378.36067200 Redistribute coefs (4.27845s) started
T12 << 1462303378.36778998 Redistribute coefs (4.28557s) stopped
T12 >> 1462303378.36786199 Send coefs to domains (106.86211s) started
T12 << 1462303378.46554089 Send coefs to domains (106.95979s) stopped
T12 << 1462303378.46592093 Blacs Orbital Layouts (28449.15470s) stopped
T12 >> 1462303378.46594810 Calculate projections (924.96811s) started
T12 << 1462303380.22898889 Calculate projections (926.73115s) stopped
T12 << 1462303380.22918892 LCAO eigensolver (33937.51348s) stopped
T12 >> 1462303383.40065002 Density (8068.86117s) started
T12 >> 1462303383.40066504 Pseudo density (6238.19894s) started
T12 >> 1462303383.40216994 Calculate density matrix (5860.75366s) started
T12 << 1462303395.18500805 Calculate density matrix (5872.53650s) stopped
T12 >> 1462303395.18505812 Construct density (367.52454s) started
T12 << 1462303395.95257807 Construct density (368.29206s) stopped
T12 >> 1462303395.96655989 Symmetrize density (0.04193s) started
T12 << 1462303395.96662092 Symmetrize density (0.04200s) stopped
T12 << 1462303395.96859002 Pseudo density (6250.76687s) stopped
T12 >> 1462303395.96865106 Atomic density matrices (1613.53089s) started
T12 << 1462303399.41088104 Atomic density matrices (1616.97312s) stopped
T12 >> 1462303399.41091299 Multipole moments (5.62198s) started
T12 << 1462303399.42434812 Multipole moments (5.63541s) stopped
T12 >> 1462303399.42437196 Normalize (3.33704s) started
T12 << 1462303399.43040490 Normalize (3.34308s) stopped
T12 >> 1462303399.43051600 Mix (208.13404s) started
T12 << 1462303399.79429603 Mix (208.49782s) stopped
T12 << 1462303399.79436302 Density (8085.25488s) stopped
T12 >> 1462303399.79439306 Hamiltonian (23740.21305s) started
T12 >> 1462303399.79440999 vbar (13.27641s) started
T12 << 1462303399.81366491 vbar (13.29566s) stopped
T12 >> 1462303399.81373811 XC 3D grid (13903.37270s) started
T12 >> 1462303400.33515692 van der Waals (13430.30941s) started
T12 >> 1462303400.44458199 semilocal (2833.38619s) started
T12 << 1462303406.23733902 semilocal (2839.17895s) stopped
T12 >> 1462303406.31054401 redistribute (1452.54717s) started
T12 << 1462303407.28688788 redistribute (1453.52352s) stopped
T12 >> 1462303407.28695512 libvdwxc nonlocal (9050.68242s) started
T12 << 1462303426.34504890 libvdwxc nonlocal (9069.74051s) stopped
T12 >> 1462303426.34510589 redistribute (1453.52357s) started
T12 << 1462303428.06911802 redistribute (1455.24758s) stopped
T12 << 1462303428.07028604 van der Waals (13458.04454s) stopped
T12 << 1462303428.53528500 XC 3D grid (13932.09425s) stopped
T12 >> 1462303428.53534889 Poisson (2990.30626s) started
T12 << 1462303434.39942598 Poisson (2996.17034s) stopped
T12 >> 1462303434.39952397 Hartree integrate/restrict (181.87099s) started
T12 << 1462303434.45507503 Hartree integrate/restrict (181.92654s) stopped
T12 >> 1462303434.45512891 Hartree integrate/restrict (181.92657s) started
T12 << 1462303434.79022694 Hartree integrate/restrict (182.26167s) stopped
T12 >> 1462303434.79031205 Atomic (1173.83438s) started
T12 >> 1462303434.79239297 XC Correction (0.01611s) started
T12 << 1462303434.79241300 XC Correction (0.01613s) stopped
T12 << 1462303437.16702604 Atomic (1176.21109s) stopped
T12 >> 1462303437.16720295 Communicate (5477.35239s) started
T12 << 1462303454.49844909 Communicate (5494.68363s) stopped
T12 << 1462303454.49848700 Hamiltonian (23794.91715s) stopped
T12 >> 1462303454.49851298 LCAO eigensolver (33937.51350s) started
T12 >> 1462303454.49852610 Potential matrix (509.57214s) started
T12 << 1462303455.46303606 Potential matrix (510.53665s) stopped
T12 >> 1462303455.46309400 DistributedAtomicCorrection (208.42171s) started
T12 << 1462303455.88914609 DistributedAtomicCorrection (208.84776s) stopped
T12 >> 1462303455.88919210 Distribute overlap matrix (3841.04860s) started
T12 >> 1462303455.88922310 blocked summation (2145.46325s) started
T12 << 1462303460.23953390 blocked summation (2149.81356s) stopped
T12 >> 1462303460.24894905 Scalapack redistribute (1690.41648s) started
T12 << 1462303463.79720092 Scalapack redistribute (1693.96473s) stopped
T12 << 1462303463.79729104 Distribute overlap matrix (3848.95669s) stopped
T12 >> 1462303463.80136895 Blacs Orbital Layouts (28449.15472s) started
T12 >> 1462303463.81018710 General diagonalize (28333.12011s) started
T12 << 1462303519.29996109 General diagonalize (28388.60988s) stopped
T12 >> 1462303519.30000591 Redistribute coefs (4.28563s) started
T12 << 1462303519.30727410 Redistribute coefs (4.29289s) stopped
T12 >> 1462303519.30734801 Send coefs to domains (106.95982s) started
T12 << 1462303519.58534002 Send coefs to domains (107.23781s) stopped
T12 << 1462303519.58582497 Blacs Orbital Layouts (28504.93917s) stopped
T12 >> 1462303519.58588099 Calculate projections (926.73120s) started
T12 << 1462303521.34889293 Calculate projections (928.49421s) stopped
T12 << 1462303521.34926009 LCAO eigensolver (34004.36425s) stopped
T12 >> 1462303524.55449200 Density (8085.25490s) started
T12 >> 1462303524.55450702 Pseudo density (6250.76691s) started
T12 >> 1462303524.55615902 Calculate density matrix (5872.53653s) started
T12 << 1462303536.23553705 Calculate density matrix (5884.21591s) stopped
T12 >> 1462303536.23558402 Construct density (368.29211s) started
T12 << 1462303537.00191092 Construct density (369.05843s) stopped
T12 >> 1462303537.01574707 Symmetrize density (0.04201s) started
T12 << 1462303537.01581311 Symmetrize density (0.04208s) stopped
T12 << 1462303537.01776505 Pseudo density (6263.23017s) stopped
T12 >> 1462303537.01782608 Atomic density matrices (1616.97315s) started
T12 << 1462303540.45301509 Atomic density matrices (1620.40834s) stopped
T12 >> 1462303540.45304704 Multipole moments (5.63543s) started
T12 << 1462303540.46652889 Multipole moments (5.64891s) stopped
T12 >> 1462303540.46655297 Normalize (3.34317s) started
T12 << 1462303540.47275400 Normalize (3.34937s) stopped
T12 >> 1462303540.47285390 Mix (208.49788s) started
T12 << 1462303540.84479809 Mix (208.86983s) stopped
T12 << 1462303540.84484911 Density (8101.54525s) stopped
T12 >> 1462303540.84487391 Hamiltonian (23794.91716s) started
T12 >> 1462303540.84488702 vbar (13.29570s) started
T12 << 1462303540.86724710 vbar (13.31806s) stopped
T12 >> 1462303540.86734509 XC 3D grid (13932.09430s) started
T12 >> 1462303541.42158508 van der Waals (13458.04456s) started
T12 >> 1462303541.53240609 semilocal (2839.17902s) started
T12 << 1462303547.36453509 semilocal (2845.01115s) stopped
T12 >> 1462303547.44303298 redistribute (1455.24763s) started
T12 << 1462303548.40819001 redistribute (1456.21279s) stopped
T12 >> 1462303548.40825295 libvdwxc nonlocal (9069.74055s) started
T12 << 1462303566.97816801 libvdwxc nonlocal (9088.31047s) stopped
T12 >> 1462303566.97821903 redistribute (1456.21284s) started
T12 << 1462303568.68139410 redistribute (1457.91601s) stopped
T12 << 1462303568.68266392 van der Waals (13485.30564s) stopped
T12 << 1462303569.14729691 XC 3D grid (13960.37425s) stopped
T12 >> 1462303569.14733791 Poisson (2996.17041s) started
T12 << 1462303574.88313794 Poisson (3001.90621s) stopped
T12 >> 1462303574.88320494 Hartree integrate/restrict (182.26170s) started
T12 << 1462303574.93191409 Hartree integrate/restrict (182.31041s) stopped
T12 >> 1462303574.93196797 Hartree integrate/restrict (182.31044s) started
T12 << 1462303575.24634910 Hartree integrate/restrict (182.62483s) stopped
T12 >> 1462303575.24641991 Atomic (1176.21112s) started
T12 >> 1462303575.24815392 XC Correction (0.01614s) started
T12 << 1462303575.24817610 XC Correction (0.01617s) stopped
T12 << 1462303577.63553309 Atomic (1178.60023s) stopped
T12 >> 1462303577.63569903 Communicate (5494.68366s) started
T12 << 1462303594.98629189 Communicate (5512.03425s) stopped
T12 << 1462303594.98632789 Hamiltonian (23849.05861s) stopped
T12 >> 1462303594.98635292 LCAO eigensolver (34004.36427s) started
T12 >> 1462303594.98636508 Potential matrix (510.53668s) started
T12 << 1462303595.95883489 Potential matrix (511.50915s) stopped
T12 >> 1462303595.95890808 DistributedAtomicCorrection (208.84780s) started
T12 << 1462303596.38125992 DistributedAtomicCorrection (209.27015s) stopped
T12 >> 1462303596.38130593 Distribute overlap matrix (3848.95671s) started
T12 >> 1462303596.38133788 blocked summation (2149.81361s) started
T12 << 1462303600.69478989 blocked summation (2154.12706s) stopped
T12 >> 1462303600.70439792 Scalapack redistribute (1693.96478s) started
T12 << 1462303604.21762490 Scalapack redistribute (1697.47801s) stopped
T12 << 1462303604.21772099 Distribute overlap matrix (3856.79312s) stopped
T12 >> 1462303604.22185397 Blacs Orbital Layouts (28504.93922s) started
T12 >> 1462303604.23097396 General diagonalize (28388.60992s) started
T12 << 1462303660.27109289 General diagonalize (28444.65004s) stopped
T12 >> 1462303660.27113891 Redistribute coefs (4.29295s) started
T12 << 1462303660.27808189 Redistribute coefs (4.29990s) stopped
T12 >> 1462303660.27817798 Send coefs to domains (107.23784s) started
T12 << 1462303660.85890102 Send coefs to domains (107.81857s) stopped
T12 << 1462303660.85940695 Blacs Orbital Layouts (28561.57677s) stopped
T12 >> 1462303660.85943508 Calculate projections (928.49427s) started
T12 << 1462303662.62325311 Calculate projections (930.25809s) stopped
T12 << 1462303662.62360907 LCAO eigensolver (34072.00152s) stopped
T12 >> 1462303665.82663798 Density (8101.54527s) started
T12 >> 1462303665.82665300 Pseudo density (6263.23022s) started
T12 >> 1462303665.82835507 Calculate density matrix (5884.21594s) started
T12 << 1462303677.50719595 Calculate density matrix (5895.89478s) stopped
T12 >> 1462303677.50724411 Construct density (369.05848s) started
T12 << 1462303678.27475309 Construct density (369.82599s) stopped
T12 >> 1462303678.28949904 Symmetrize density (0.04209s) started
T12 << 1462303678.28956604 Symmetrize density (0.04216s) stopped
T12 << 1462303678.29155302 Pseudo density (6275.69512s) stopped
T12 >> 1462303678.29161501 Atomic density matrices (1620.40836s) started
T12 << 1462303681.78704691 Atomic density matrices (1623.90379s) stopped
T12 >> 1462303681.78707910 Multipole moments (5.64893s) started
T12 << 1462303681.80112505 Multipole moments (5.66297s) stopped
T12 >> 1462303681.80114794 Normalize (3.34945s) started
T12 << 1462303681.80728507 Normalize (3.35559s) stopped
T12 >> 1462303681.80739093 Mix (208.86987s) started
T12 << 1462303682.17950296 Mix (209.24199s) stopped
T12 << 1462303682.17957807 Density (8117.89821s) stopped
T12 >> 1462303682.17960596 Hamiltonian (23849.05863s) started
T12 >> 1462303682.17962098 vbar (13.31811s) started
T12 << 1462303682.20551991 vbar (13.34401s) stopped
T12 >> 1462303682.20563889 XC 3D grid (13960.37428s) started
T12 >> 1462303682.74177003 van der Waals (13485.30566s) started
T12 >> 1462303682.85110307 semilocal (2845.01126s) started
T12 << 1462303688.60320997 semilocal (2850.76336s) stopped
T12 >> 1462303688.67806101 redistribute (1457.91607s) started
T12 << 1462303689.70455098 redistribute (1458.94256s) stopped
T12 >> 1462303689.70459294 libvdwxc nonlocal (9088.31051s) started
T12 << 1462303708.21272612 libvdwxc nonlocal (9106.81864s) stopped
T12 >> 1462303708.21279693 redistribute (1458.94259s) started
T12 << 1462303709.89440203 redistribute (1460.62420s) stopped
T12 << 1462303709.89539790 van der Waals (13512.45929s) stopped
T12 << 1462303710.36113310 XC 3D grid (13988.52978s) stopped
T12 >> 1462303710.36119390 Poisson (3001.90626s) started
T12 << 1462303719.01697707 Poisson (3010.56204s) stopped
T12 >> 1462303719.01704311 Hartree integrate/restrict (182.62486s) started
T12 << 1462303719.06309295 Hartree integrate/restrict (182.67091s) stopped
T12 >> 1462303719.06316495 Hartree integrate/restrict (182.67096s) started
T12 << 1462303719.38129091 Hartree integrate/restrict (182.98908s) stopped
T12 >> 1462303719.38138604 Atomic (1178.60026s) started
T12 >> 1462303719.38309598 XC Correction (0.01618s) started
T12 << 1462303719.38311291 XC Correction (0.01619s) stopped
T12 << 1462303721.80296397 Atomic (1181.02183s) stopped
T12 >> 1462303721.80312109 Communicate (5512.03428s) started
T12 << 1462303738.81688190 Communicate (5529.04804s) stopped
T12 << 1462303738.81691504 Hamiltonian (23905.69594s) stopped
T12 >> 1462303738.81694007 LCAO eigensolver (34072.00154s) started
T12 >> 1462303738.81695294 Potential matrix (511.50919s) started
T12 << 1462303739.78089595 Potential matrix (512.47313s) stopped
T12 >> 1462303739.78097606 DistributedAtomicCorrection (209.27019s) started
T12 << 1462303740.20321894 DistributedAtomicCorrection (209.69244s) stopped
T12 >> 1462303740.20326495 Distribute overlap matrix (3856.79313s) started
T12 >> 1462303740.20329690 blocked summation (2154.12711s) started
T12 << 1462303744.60687900 blocked summation (2158.53069s) stopped
T12 >> 1462303744.61636400 Scalapack redistribute (1697.47807s) started
T12 << 1462303748.05240989 Scalapack redistribute (1700.91411s) stopped
T12 << 1462303748.05251908 Distribute overlap matrix (3864.64239s) stopped
T12 >> 1462303748.05789495 Blacs Orbital Layouts (28561.57679s) started
T12 >> 1462303748.06699300 General diagonalize (28444.65007s) started
T12 << 1462303801.01866007 General diagonalize (28497.60174s) stopped
T12 >> 1462303801.01870608 Redistribute coefs (4.29997s) started
T12 << 1462303801.02562189 Redistribute coefs (4.30689s) stopped
T12 >> 1462303801.02571201 Send coefs to domains (107.81860s) started
T12 << 1462303801.11907196 Send coefs to domains (107.91196s) stopped
T12 << 1462303801.11945796 Blacs Orbital Layouts (28614.63835s) stopped
T12 >> 1462303801.11948609 Calculate projections (930.25814s) started
T12 << 1462303802.88167000 Calculate projections (932.02032s) stopped
T12 << 1462303802.88186193 LCAO eigensolver (34136.06646s) stopped
T12 >> 1462303806.07196808 Density (8117.89822s) started
T12 >> 1462303806.07198405 Pseudo density (6275.69517s) started
T12 >> 1462303806.07364392 Calculate density matrix (5895.89482s) started
T12 << 1462303817.81439590 Calculate density matrix (5907.63557s) stopped
T12 >> 1462303817.81444502 Construct density (369.82604s) started
T12 << 1462303818.58027601 Construct density (370.59188s) stopped
T12 >> 1462303818.59416890 Symmetrize density (0.04218s) started
T12 << 1462303818.59423208 Symmetrize density (0.04224s) stopped
T12 << 1462303818.59623599 Pseudo density (6288.21942s) stopped
T12 >> 1462303818.59629703 Atomic density matrices (1623.90382s) started
T12 << 1462303822.00361896 Atomic density matrices (1627.31114s) stopped
T12 >> 1462303822.00365090 Multipole moments (5.66299s) started
T12 << 1462303822.01768088 Multipole moments (5.67702s) stopped
T12 >> 1462303822.01770496 Normalize (3.35568s) started
T12 << 1462303822.02382302 Normalize (3.36179s) stopped
T12 >> 1462303822.02392411 Mix (209.24206s) started
T12 << 1462303822.43897510 Mix (209.65711s) stopped
T12 << 1462303822.43903995 Density (8134.26529s) stopped
T12 >> 1462303822.43906999 Hamiltonian (23905.69595s) started
T12 >> 1462303822.43908501 vbar (13.34408s) started
T12 << 1462303822.46085095 vbar (13.36585s) stopped
T12 >> 1462303822.46093988 XC 3D grid (13988.52983s) started
T12 >> 1462303822.96318197 van der Waals (13512.45932s) started
T12 >> 1462303823.07359290 semilocal (2850.76347s) started
T12 << 1462303828.85455799 semilocal (2856.54443s) stopped
T12 >> 1462303828.92583489 redistribute (1460.62425s) started
T12 << 1462303829.94377589 redistribute (1461.64219s) stopped
T12 >> 1462303829.94382191 libvdwxc nonlocal (9106.81869s) started
T12 << 1462303848.31883788 libvdwxc nonlocal (9125.19370s) stopped
T12 >> 1462303848.31890297 redistribute (1461.64223s) started
T12 << 1462303850.07700300 redistribute (1463.40033s) stopped
T12 << 1462303850.07782292 van der Waals (13539.57396s) stopped
T12 << 1462303850.53745604 XC 3D grid (14016.60634s) stopped
T12 >> 1462303850.53750396 Poisson (3010.56209s) started
T12 << 1462303857.70788193 Poisson (3017.73247s) stopped
T12 >> 1462303857.70799589 Hartree integrate/restrict (182.98913s) started
T12 << 1462303857.75710702 Hartree integrate/restrict (183.03824s) stopped
T12 >> 1462303857.75719190 Hartree integrate/restrict (183.03830s) started
T12 << 1462303858.07326007 Hartree integrate/restrict (183.35437s) stopped
T12 >> 1462303858.07333589 Atomic (1181.02185s) started
T12 >> 1462303858.07509995 XC Correction (0.01620s) started
T12 << 1462303858.07511592 XC Correction (0.01622s) stopped
T12 << 1462303860.49012589 Atomic (1183.43864s) stopped
T12 >> 1462303860.49028897 Communicate (5529.04806s) started
T12 << 1462303876.54841709 Communicate (5545.10619s) stopped
T12 << 1462303876.54845309 Hamiltonian (23959.80533s) stopped
T12 >> 1462303876.54847908 LCAO eigensolver (34136.06648s) started
T12 >> 1462303876.54849195 Potential matrix (512.47318s) started
T12 << 1462303877.52171803 Potential matrix (513.44641s) stopped
T12 >> 1462303877.52180195 DistributedAtomicCorrection (209.69247s) started
T12 << 1462303877.94411492 DistributedAtomicCorrection (210.11479s) stopped
T12 >> 1462303877.94416189 Distribute overlap matrix (3864.64240s) started
T12 >> 1462303877.94419289 blocked summation (2158.53072s) started
T12 << 1462303882.30275011 blocked summation (2162.88928s) stopped
T12 >> 1462303882.31271696 Scalapack redistribute (1700.91418s) started
T12 << 1462303885.76536393 Scalapack redistribute (1704.36683s) stopped
T12 << 1462303885.76545906 Distribute overlap matrix (3872.46370s) stopped
T12 >> 1462303885.76943588 Blacs Orbital Layouts (28614.63837s) started
T12 >> 1462303885.77860403 General diagonalize (28497.60178s) started
T12 << 1462303938.49574208 General diagonalize (28550.31892s) stopped
T12 >> 1462303938.49578691 Redistribute coefs (4.30696s) started
T12 << 1462303938.50262594 Redistribute coefs (4.31380s) stopped
T12 >> 1462303938.50271201 Send coefs to domains (107.91199s) started
T12 << 1462303938.62053800 Send coefs to domains (108.02982s) stopped
T12 << 1462303938.62112999 Blacs Orbital Layouts (28667.49007s) stopped
T12 >> 1462303938.62115788 Calculate projections (932.02037s) started
T12 << 1462303940.38514090 Calculate projections (933.78435s) stopped
T12 << 1462303940.38550210 LCAO eigensolver (34199.90351s) stopped
T12 >> 1462303943.55180311 Density (8134.26531s) started
T12 >> 1462303943.55181909 Pseudo density (6288.21947s) started
T12 >> 1462303943.55341411 Calculate density matrix (5907.63561s) started
T12 << 1462303955.36727190 Calculate density matrix (5919.44947s) stopped
T12 >> 1462303955.36732197 Construct density (370.59193s) started
T12 << 1462303956.13560700 Construct density (371.36021s) stopped
T12 >> 1462303956.14946198 Symmetrize density (0.04226s) started
T12 << 1462303956.14952898 Symmetrize density (0.04232s) stopped
T12 << 1462303956.15156794 Pseudo density (6300.81922s) stopped
T12 >> 1462303956.15162706 Atomic density matrices (1627.31117s) started
T12 << 1462303959.60115290 Atomic density matrices (1630.76069s) stopped
T12 >> 1462303959.60118604 Multipole moments (5.67704s) started
T12 << 1462303959.61528111 Multipole moments (5.69113s) stopped
T12 >> 1462303959.61530495 Normalize (3.36188s) started
T12 << 1462303959.62145400 Normalize (3.36802s) stopped
T12 >> 1462303959.62153912 Mix (209.65717s) started
T12 << 1462303960.03189898 Mix (210.06753s) stopped
T12 << 1462303960.03199697 Density (8150.74550s) stopped
T12 >> 1462303960.03203797 Hamiltonian (23959.80535s) started
T12 >> 1462303960.03205705 vbar (13.36590s) started
T12 << 1462303960.05737400 vbar (13.39122s) stopped
T12 >> 1462303960.05745602 XC 3D grid (14016.60638s) started
T12 >> 1462303960.56244802 van der Waals (13539.57399s) started
T12 >> 1462303960.67380810 semilocal (2856.54453s) started
T12 << 1462303966.46166396 semilocal (2862.33239s) stopped
T12 >> 1462303966.54521203 redistribute (1463.40039s) started
T12 << 1462303967.55589104 redistribute (1464.41107s) stopped
T12 >> 1462303967.55593395 libvdwxc nonlocal (9125.19375s) started
T12 << 1462303986.95860696 libvdwxc nonlocal (9144.59642s) stopped
T12 >> 1462303986.95866895 redistribute (1464.41110s) started
T12 << 1462303988.67736292 redistribute (1466.12979s) stopped
T12 << 1462303988.67836499 van der Waals (13567.68990s) stopped
T12 << 1462303989.14355397 XC 3D grid (14045.69248s) stopped
T12 >> 1462303989.14362001 Poisson (3017.73256s) started
T12 << 1462303995.08819699 Poisson (3023.67714s) stopped
T12 >> 1462303995.08831501 Hartree integrate/restrict (183.35440s) started
T12 << 1462303995.14452410 Hartree integrate/restrict (183.41061s) stopped
T12 >> 1462303995.14461398 Hartree integrate/restrict (183.41067s) started
T12 << 1462303995.46123791 Hartree integrate/restrict (183.72730s) stopped
T12 >> 1462303995.46131897 Atomic (1183.43867s) started
T12 >> 1462303995.46305394 XC Correction (0.01623s) started
T12 << 1462303995.46306896 XC Correction (0.01625s) stopped
T12 << 1462303997.88971305 Atomic (1185.86706s) stopped
T12 >> 1462303997.88987708 Communicate (5545.10621s) started
T12 << 1462304013.40364099 Communicate (5560.61998s) stopped
T12 << 1462304013.40367889 Hamiltonian (24013.17699s) stopped
T12 >> 1462304013.40371799 LCAO eigensolver (34199.90353s) started
T12 >> 1462304013.40373111 Potential matrix (513.44645s) started
T12 << 1462304014.37392807 Potential matrix (514.41665s) stopped
T12 >> 1462304014.37398505 DistributedAtomicCorrection (210.11483s) started
T12 << 1462304014.82044506 DistributedAtomicCorrection (210.56129s) stopped
T12 >> 1462304014.82050991 Distribute overlap matrix (3872.46371s) started
T12 >> 1462304014.82053208 blocked summation (2162.88933s) started
T12 << 1462304019.13089490 blocked summation (2167.19970s) stopped
T12 >> 1462304019.14043498 Scalapack redistribute (1704.36689s) started
T12 << 1462304022.61739993 Scalapack redistribute (1707.84385s) stopped
T12 << 1462304022.61748099 Distribute overlap matrix (3880.26068s) stopped
T12 >> 1462304022.62170601 Blacs Orbital Layouts (28667.49008s) started
T12 >> 1462304022.63069296 General diagonalize (28550.31895s) started
T12 << 1462304077.28914404 General diagonalize (28604.97741s) stopped
T12 >> 1462304077.28919101 Redistribute coefs (4.31387s) started
T12 << 1462304077.29629707 Redistribute coefs (4.32097s) stopped
T12 >> 1462304077.29638696 Send coefs to domains (108.02985s) started
T12 << 1462304077.38726306 Send coefs to domains (108.12073s) stopped
T12 << 1462304077.38776994 Blacs Orbital Layouts (28722.25615s) stopped
T12 >> 1462304077.38779902 Calculate projections (933.78440s) started
T12 << 1462304079.15195107 Calculate projections (935.54856s) stopped
T12 << 1462304079.15230703 LCAO eigensolver (34265.65211s) stopped
T12 >> 1462304082.32908893 Density (8150.74552s) started
T12 >> 1462304082.32910490 Pseudo density (6300.81927s) started
T12 >> 1462304082.33069992 Calculate density matrix (5919.44950s) started
T12 << 1462304094.09656596 Calculate density matrix (5931.21537s) stopped
T12 >> 1462304094.09661293 Construct density (371.36026s) started
T12 << 1462304094.86271095 Construct density (372.12636s) stopped
T12 >> 1462304094.87659597 Symmetrize density (0.04234s) started
T12 << 1462304094.87665701 Symmetrize density (0.04240s) stopped
T12 << 1462304094.87867689 Pseudo density (6313.36884s) stopped
T12 >> 1462304094.87873697 Atomic density matrices (1630.76072s) started
T12 << 1462304098.32840109 Atomic density matrices (1634.21038s) stopped
T12 >> 1462304098.32843494 Multipole moments (5.69115s) started
T12 << 1462304098.34245992 Multipole moments (5.70517s) stopped
T12 >> 1462304098.34249306 Normalize (3.36809s) started
T12 << 1462304098.34890699 Normalize (3.37451s) stopped
T12 >> 1462304098.34900308 Mix (210.06763s) started
T12 << 1462304098.76073909 Mix (210.47937s) stopped
T12 << 1462304098.76084590 Density (8167.17728s) stopped
T12 >> 1462304098.76089191 Hamiltonian (24013.17702s) started
T12 >> 1462304098.76091290 vbar (13.39127s) started
T12 << 1462304098.78772712 vbar (13.41808s) stopped
T12 >> 1462304098.78783989 XC 3D grid (14045.69253s) started
T12 >> 1462304099.29409099 van der Waals (13567.68993s) started
T12 >> 1462304099.40284204 semilocal (2862.33248s) started
T12 << 1462304105.19226599 semilocal (2868.12190s) stopped
T12 >> 1462304105.27492595 redistribute (1466.12983s) started
T12 << 1462304106.26221204 redistribute (1467.11711s) stopped
T12 >> 1462304106.26225591 libvdwxc nonlocal (9144.59647s) started
T12 << 1462304124.96615410 libvdwxc nonlocal (9163.30037s) stopped
T12 >> 1462304124.96620297 redistribute (1467.11715s) started
T12 << 1462304126.66462708 redistribute (1468.81557s) stopped
T12 << 1462304126.66589999 van der Waals (13595.06174s) stopped
T12 << 1462304127.12962008 XC 3D grid (14074.03431s) stopped
T12 >> 1462304127.12968802 Poisson (3023.67724s) started
T12 << 1462304131.48704696 Poisson (3028.03460s) stopped
T12 >> 1462304131.48716593 Hartree integrate/restrict (183.72734s) started
T12 << 1462304131.53543901 Hartree integrate/restrict (183.77561s) stopped
T12 >> 1462304131.53549600 Hartree integrate/restrict (183.77565s) started
T12 << 1462304131.84701204 Hartree integrate/restrict (184.08716s) stopped
T12 >> 1462304131.84710789 Atomic (1185.86708s) started
T12 >> 1462304131.84883094 XC Correction (0.01625s) started
T12 << 1462304131.84884596 XC Correction (0.01627s) stopped
T12 << 1462304134.26717210 Atomic (1188.28715s) stopped
T12 >> 1462304134.26732802 Communicate (5560.62000s) started
T12 << 1462304149.81414294 Communicate (5576.16682s) stopped
T12 << 1462304149.81417894 Hamiltonian (24064.23030s) stopped
T12 >> 1462304149.81420493 LCAO eigensolver (34265.65213s) started
T12 >> 1462304149.81421804 Potential matrix (514.41668s) started
T12 << 1462304150.78678989 Potential matrix (515.38925s) stopped
T12 >> 1462304150.78685188 DistributedAtomicCorrection (210.56133s) started
T12 << 1462304151.22565389 DistributedAtomicCorrection (211.00013s) stopped
T12 >> 1462304151.22571707 Distribute overlap matrix (3880.26069s) started
T12 >> 1462304151.22573805 blocked summation (2167.19975s) started
T12 << 1462304155.70960689 blocked summation (2171.68362s) stopped
T12 >> 1462304155.71958995 Scalapack redistribute (1707.84390s) started
T12 << 1462304159.01324892 Scalapack redistribute (1711.13756s) stopped
T12 << 1462304159.01333594 Distribute overlap matrix (3888.04831s) stopped
T12 >> 1462304159.01720905 Blacs Orbital Layouts (28722.25617s) started
T12 >> 1462304159.02605391 General diagonalize (28604.97744s) started
T12 << 1462304211.76998997 General diagonalize (28657.72138s) stopped
T12 >> 1462304211.77003598 Redistribute coefs (4.32104s) started
T12 << 1462304211.77705002 Redistribute coefs (4.32806s) stopped
T12 >> 1462304211.77714300 Send coefs to domains (108.12076s) started
T12 << 1462304212.01883101 Send coefs to domains (108.36245s) stopped
T12 << 1462304212.01926494 Blacs Orbital Layouts (28775.25822s) stopped
T12 >> 1462304212.01929212 Calculate projections (935.54861s) started
T12 << 1462304213.78245807 Calculate projections (937.31178s) stopped
T12 << 1462304213.78280807 LCAO eigensolver (34329.62073s) stopped
T12 >> 1462304216.97662210 Density (8167.17729s) started
T12 >> 1462304216.97663689 Pseudo density (6313.36889s) started
T12 >> 1462304216.97834992 Calculate density matrix (5931.21540s) started
T12 << 1462304228.69199395 Calculate density matrix (5942.92905s) stopped
T12 >> 1462304228.69203997 Construct density (372.12641s) started
T12 << 1462304229.45667601 Construct density (372.89105s) stopped
T12 >> 1462304229.47066402 Symmetrize density (0.04242s) started
T12 << 1462304229.47072697 Symmetrize density (0.04248s) stopped
T12 << 1462304229.47275305 Pseudo density (6325.86500s) stopped
T12 >> 1462304229.47281694 Atomic density matrices (1634.21041s) started
T12 << 1462304232.85606289 Atomic density matrices (1637.59365s) stopped
T12 >> 1462304232.85609698 Multipole moments (5.70519s) started
T12 << 1462304232.86949492 Multipole moments (5.71859s) stopped
T12 >> 1462304232.86952710 Normalize (3.37458s) started
T12 << 1462304232.87574005 Normalize (3.38080s) stopped
T12 >> 1462304232.87581491 Mix (210.47947s) started
T12 << 1462304233.30515099 Mix (210.90880s) stopped
T12 << 1462304233.30520511 Density (8183.50588s) stopped
T12 >> 1462304233.30522895 Hamiltonian (24064.23032s) started
T12 >> 1462304233.30524206 vbar (13.41814s) started
T12 << 1462304233.32632804 vbar (13.43923s) stopped
T12 >> 1462304233.32639909 XC 3D grid (14074.03437s) started
T12 >> 1462304233.83557606 van der Waals (13595.06176s) started
T12 >> 1462304233.94443703 semilocal (2868.12202s) started
T12 << 1462304239.66585898 semilocal (2873.84344s) stopped
T12 >> 1462304239.74743104 redistribute (1468.81563s) started
T12 << 1462304240.79803801 redistribute (1469.86624s) stopped
T12 >> 1462304240.79808688 libvdwxc nonlocal (9163.30041s) started
T12 << 1462304259.10116005 libvdwxc nonlocal (9181.60348s) stopped
T12 >> 1462304259.10122299 redistribute (1469.86627s) started
T12 << 1462304260.92896199 redistribute (1471.69401s) stopped
T12 << 1462304260.93023705 van der Waals (13622.15642s) stopped
T12 << 1462304261.39366198 XC 3D grid (14102.10163s) stopped
T12 >> 1462304261.39370489 Poisson (3028.03469s) started
T12 << 1462304265.69619894 Poisson (3032.33718s) stopped
T12 >> 1462304265.69627190 Hartree integrate/restrict (184.08721s) started
T12 << 1462304265.74141788 Hartree integrate/restrict (184.13236s) stopped
T12 >> 1462304265.74149799 Hartree integrate/restrict (184.13241s) started
T12 << 1462304266.05540895 Hartree integrate/restrict (184.44633s) stopped
T12 >> 1462304266.05550694 Atomic (1188.28717s) started
T12 >> 1462304266.05731797 XC Correction (0.01628s) started
T12 << 1462304266.05733204 XC Correction (0.01629s) stopped
T12 << 1462304268.47076607 Atomic (1190.70243s) stopped
T12 >> 1462304268.47091794 Communicate (5576.16684s) started
T12 << 1462304283.99979806 Communicate (5591.69572s) stopped
T12 << 1462304283.99983907 Hamiltonian (24114.92493s) stopped
T12 >> 1462304283.99986506 LCAO eigensolver (34329.62075s) started
T12 >> 1462304283.99987698 Potential matrix (515.38928s) started
T12 << 1462304284.96867800 Potential matrix (516.35808s) stopped
T12 >> 1462304284.96875906 DistributedAtomicCorrection (211.00017s) started
T12 << 1462304285.41008997 DistributedAtomicCorrection (211.44150s) stopped
T12 >> 1462304285.41015196 Distribute overlap matrix (3888.04833s) started
T12 >> 1462304285.41017389 blocked summation (2171.68367s) started
T12 << 1462304289.88568902 blocked summation (2176.15918s) stopped
T12 >> 1462304289.89560103 Scalapack redistribute (1711.13761s) started
T12 << 1462304293.25731611 Scalapack redistribute (1714.49932s) stopped
T12 << 1462304293.25741792 Distribute overlap matrix (3895.89559s) stopped
T12 >> 1462304293.26156402 Blacs Orbital Layouts (28775.25824s) started
T12 >> 1462304293.27000403 General diagonalize (28657.72142s) started
T12 << 1462304348.39161301 General diagonalize (28712.84302s) stopped
T12 >> 1462304348.39166403 Redistribute coefs (4.32813s) started
T12 << 1462304348.40033793 Redistribute coefs (4.33681s) stopped
T12 >> 1462304348.40041590 Send coefs to domains (108.36248s) started
T12 << 1462304348.51424098 Send coefs to domains (108.47631s) stopped
T12 << 1462304348.51467800 Blacs Orbital Layouts (28830.51136s) stopped
T12 >> 1462304348.51470900 Calculate projections (937.31182s) started
T12 << 1462304350.29799700 Calculate projections (939.09511s) stopped
T12 << 1462304350.29846597 LCAO eigensolver (34395.91935s) stopped
T12 >> 1462304353.47691202 Density (8183.50589s) started
T12 >> 1462304353.47692704 Pseudo density (6325.86505s) started
T12 >> 1462304353.47930789 Calculate density matrix (5942.92908s) started
T12 << 1462304365.25768995 Calculate density matrix (5954.70746s) stopped
T12 >> 1462304365.25774598 Construct density (372.89110s) started
T12 << 1462304366.02548504 Construct density (373.65884s) stopped
T12 >> 1462304366.04174399 Symmetrize density (0.04250s) started
T12 << 1462304366.04182196 Symmetrize density (0.04258s) stopped
T12 << 1462304366.04429197 Pseudo density (6338.43242s) stopped
T12 >> 1462304366.04436111 Atomic density matrices (1637.59368s) started
T12 << 1462304369.42120600 Atomic density matrices (1640.97052s) stopped
T12 >> 1462304369.42124295 Multipole moments (5.71860s) started
T12 << 1462304369.43526101 Multipole moments (5.73262s) stopped
T12 >> 1462304369.43529701 Normalize (3.38085s) started
T12 << 1462304369.44304490 Normalize (3.38860s) stopped
T12 >> 1462304369.44308996 Mix (210.90886s) started
T12 << 1462304369.88010311 Mix (211.34587s) stopped
T12 << 1462304369.88016105 Density (8199.90914s) stopped
T12 >> 1462304369.88018703 Hamiltonian (24114.92494s) started
T12 >> 1462304369.88020205 vbar (13.43926s) started
T12 << 1462304369.91360307 vbar (13.47266s) stopped
T12 >> 1462304369.91380906 XC 3D grid (14102.10167s) started
T12 >> 1462304370.39820194 van der Waals (13622.15645s) started
T12 >> 1462304370.51055193 semilocal (2873.84352s) started
T12 << 1462304376.30205703 semilocal (2879.63503s) stopped
T12 >> 1462304376.37729502 redistribute (1471.69407s) started
T12 << 1462304377.36064100 redistribute (1472.67742s) stopped
T12 >> 1462304377.36072612 libvdwxc nonlocal (9181.60353s) started
T12 << 1462304395.38123202 libvdwxc nonlocal (9199.62404s) stopped
T12 >> 1462304395.38131499 redistribute (1472.67748s) started
T12 << 1462304397.63611388 redistribute (1474.93228s) stopped
T12 << 1462304397.63729000 van der Waals (13649.39554s) stopped
T12 << 1462304398.10367990 XC 3D grid (14130.29154s) stopped
T12 >> 1462304398.10373402 Poisson (3032.33724s) started
T12 << 1462304402.44506788 Poisson (3036.67857s) stopped
T12 >> 1462304402.44515491 Hartree integrate/restrict (184.44638s) started
T12 << 1462304402.48305011 Hartree integrate/restrict (184.48427s) stopped
T12 >> 1462304402.48317194 Hartree integrate/restrict (184.48435s) started
T12 << 1462304402.84732509 Hartree integrate/restrict (184.84851s) stopped
T12 >> 1462304402.84741211 Atomic (1190.70245s) started
T12 >> 1462304402.84969401 XC Correction (0.01631s) started
T12 << 1462304402.84973598 XC Correction (0.01635s) stopped
T12 << 1462304405.25989890 Atomic (1193.11494s) stopped
T12 >> 1462304405.26006603 Communicate (5591.69575s) started
T12 << 1462304420.78903890 Communicate (5607.22472s) stopped
T12 << 1462304420.78908110 Hamiltonian (24165.83383s) stopped
T12 >> 1462304420.78910804 LCAO eigensolver (34395.91937s) started
T12 >> 1462304420.78912210 Potential matrix (516.35813s) started
T12 << 1462304421.75755596 Potential matrix (517.32656s) stopped
T12 >> 1462304421.75762606 DistributedAtomicCorrection (211.44154s) started
T12 << 1462304422.20915794 DistributedAtomicCorrection (211.89307s) stopped
T12 >> 1462304422.20922494 Distribute overlap matrix (3895.89560s) started
T12 >> 1462304422.20924997 blocked summation (2176.15924s) started
T12 << 1462304426.67852306 blocked summation (2180.62852s) stopped
T12 >> 1462304426.68817306 Scalapack redistribute (1714.49939s) started
T12 << 1462304430.12207890 Scalapack redistribute (1717.93329s) stopped
T12 << 1462304430.12215900 Distribute overlap matrix (3903.80854s) stopped
T12 >> 1462304430.12686706 Blacs Orbital Layouts (28830.51138s) started
T12 >> 1462304430.13571191 General diagonalize (28712.84307s) started
T12 << 1462304482.59032106 General diagonalize (28765.29768s) stopped
T12 >> 1462304482.59036589 Redistribute coefs (4.33687s) started
T12 << 1462304482.59769201 Redistribute coefs (4.34419s) stopped
T12 >> 1462304482.59776711 Send coefs to domains (108.47635s) started
T12 << 1462304482.71702790 Send coefs to domains (108.59561s) stopped
T12 << 1462304482.71750903 Blacs Orbital Layouts (28883.10202s) stopped
T12 >> 1462304482.71753812 Calculate projections (939.09517s) started
T12 << 1462304484.48392391 Calculate projections (940.86155s) stopped
T12 << 1462304484.48441601 LCAO eigensolver (34459.61468s) stopped
T12 >> 1462304487.67183900 Density (8199.90915s) started
T12 >> 1462304487.67185593 Pseudo density (6338.43247s) started
T12 >> 1462304487.67380309 Calculate density matrix (5954.70750s) started
T12 << 1462304499.43461895 Calculate density matrix (5966.46832s) stopped
T12 >> 1462304499.43466806 Construct density (373.65890s) started
T12 << 1462304500.19987512 Construct density (374.42410s) stopped
T12 >> 1462304500.21393299 Symmetrize density (0.04259s) started
T12 << 1462304500.21399689 Symmetrize density (0.04266s) stopped
T12 << 1462304500.21607590 Pseudo density (6350.97669s) stopped
T12 >> 1462304500.21613598 Atomic density matrices (1640.97055s) started
T12 << 1462304503.63660002 Atomic density matrices (1644.39101s) stopped
T12 >> 1462304503.63663411 Multipole moments (5.73264s) started
T12 << 1462304503.65006709 Multipole moments (5.74607s) stopped
T12 >> 1462304503.65009904 Normalize (3.38863s) started
T12 << 1462304503.65619993 Normalize (3.39473s) stopped
T12 >> 1462304503.65632606 Mix (211.34593s) started
T12 << 1462304504.06188107 Mix (211.75148s) stopped
T12 << 1462304504.06193495 Density (8216.29925s) stopped
T12 >> 1462304504.06196308 Hamiltonian (24165.83385s) started
T12 >> 1462304504.06197906 vbar (13.47277s) started
T12 << 1462304504.08415604 vbar (13.49495s) stopped
T12 >> 1462304504.08424997 XC 3D grid (14130.29158s) started
T12 >> 1462304504.63528800 van der Waals (13649.39556s) started
T12 >> 1462304504.74351811 semilocal (2879.63511s) started
T12 << 1462304510.41717005 semilocal (2885.30876s) stopped
T12 >> 1462304510.50456595 redistribute (1474.93235s) started
T12 << 1462304511.57867098 redistribute (1476.00645s) stopped
T12 >> 1462304511.57871509 libvdwxc nonlocal (9199.62410s) started
T12 << 1462304529.77468896 libvdwxc nonlocal (9217.82007s) stopped
T12 >> 1462304529.77474999 redistribute (1476.00648s) started
T12 << 1462304531.57965589 redistribute (1477.81139s) stopped
T12 << 1462304531.58067799 van der Waals (13676.34095s) stopped
T12 << 1462304532.04092598 XC 3D grid (14158.24825s) stopped
T12 >> 1462304532.04098105 Poisson (3036.67863s) started
T12 << 1462304534.97342706 Poisson (3039.61108s) stopped
T12 >> 1462304534.97355390 Hartree integrate/restrict (184.84855s) started
T12 << 1462304535.01863098 Hartree integrate/restrict (184.89362s) stopped
T12 >> 1462304535.01870990 Hartree integrate/restrict (184.89368s) started
T12 << 1462304535.34277892 Hartree integrate/restrict (185.21775s) stopped
T12 >> 1462304535.34287596 Atomic (1193.11497s) started
T12 >> 1462304535.34458399 XC Correction (0.01636s) started
T12 << 1462304535.34459805 XC Correction (0.01638s) stopped
T12 << 1462304537.76486111 Atomic (1195.53695s) stopped
T12 >> 1462304537.76499605 Communicate (5607.22475s) started
T12 << 1462304553.32455397 Communicate (5622.78431s) stopped
T12 << 1462304553.32459092 Hamiltonian (24215.09647s) stopped
T12 >> 1462304553.32461596 LCAO eigensolver (34459.61470s) started
T12 >> 1462304553.32462907 Potential matrix (517.32660s) started
T12 << 1462304554.29395890 Potential matrix (518.29593s) stopped
T12 >> 1462304554.29403901 DistributedAtomicCorrection (211.89311s) started
T12 << 1462304554.74366403 DistributedAtomicCorrection (212.34273s) stopped
T12 >> 1462304554.74372911 Distribute overlap matrix (3903.80855s) started
T12 >> 1462304554.74375200 blocked summation (2180.62857s) started
T12 << 1462304559.19248009 blocked summation (2185.07730s) stopped
T12 >> 1462304559.20273495 Scalapack redistribute (1717.93333s) started
T12 << 1462304562.74659801 Scalapack redistribute (1721.47719s) stopped
T12 << 1462304562.74670410 Distribute overlap matrix (3911.81153s) stopped
T12 >> 1462304562.75186396 Blacs Orbital Layouts (28883.10204s) started
T12 >> 1462304562.76060200 General diagonalize (28765.29771s) started
T12 << 1462304616.71909094 General diagonalize (28819.25620s) stopped
T12 >> 1462304616.71914411 Redistribute coefs (4.34426s) started
T12 << 1462304616.72778797 Redistribute coefs (4.35290s) stopped
T12 >> 1462304616.72783709 Send coefs to domains (108.59564s) started
T12 << 1462304616.87099695 Send coefs to domains (108.73880s) stopped
T12 << 1462304616.87142301 Blacs Orbital Layouts (28937.22160s) stopped
T12 >> 1462304616.87145400 Calculate projections (940.86160s) started
T12 << 1462304618.65123296 Calculate projections (942.64138s) stopped
T12 << 1462304618.65169907 LCAO eigensolver (34524.94178s) stopped
T12 >> 1462304621.81729293 Density (8216.29926s) started
T12 >> 1462304621.81730795 Pseudo density (6350.97674s) started
T12 >> 1462304621.81997609 Calculate density matrix (5966.46836s) started
T12 << 1462304633.74844408 Calculate density matrix (5978.39682s) stopped
T12 >> 1462304633.74850106 Construct density (374.42415s) started
T12 << 1462304634.51659393 Construct density (375.19225s) stopped
T12 >> 1462304634.53299403 Symmetrize density (0.04268s) started
T12 << 1462304634.53306699 Symmetrize density (0.04275s) stopped
T12 << 1462304634.53549600 Pseudo density (6363.69493s) stopped
T12 >> 1462304634.53556490 Atomic density matrices (1644.39104s) started
T12 << 1462304637.93236804 Atomic density matrices (1647.78784s) stopped
T12 >> 1462304637.93240595 Multipole moments (5.74609s) started
T12 << 1462304637.94643402 Multipole moments (5.76012s) stopped
T12 >> 1462304637.94646907 Normalize (3.39483s) started
T12 << 1462304637.95323110 Normalize (3.40160s) stopped
T12 >> 1462304637.95328307 Mix (211.75154s) started
T12 << 1462304638.41431308 Mix (212.21257s) stopped
T12 << 1462304638.41439700 Density (8232.89637s) stopped
T12 >> 1462304638.41443110 Hamiltonian (24215.09649s) started
T12 >> 1462304638.41444802 vbar (13.49501s) started
T12 << 1462304638.44130802 vbar (13.52187s) stopped
T12 >> 1462304638.44141006 XC 3D grid (14158.24830s) started
T12 >> 1462304638.97129297 van der Waals (13676.34098s) started
T12 >> 1462304639.08447003 semilocal (2885.30893s) started
T12 << 1462304644.84288812 semilocal (2891.06735s) stopped
T12 >> 1462304644.91704392 redistribute (1477.81145s) started
T12 << 1462304645.99939609 redistribute (1478.89380s) stopped
T12 >> 1462304645.99944711 libvdwxc nonlocal (9217.82012s) started
T12 << 1462304664.16514897 libvdwxc nonlocal (9235.98582s) stopped
T12 >> 1462304664.16523004 redistribute (1478.89384s) started
T12 << 1462304666.32766604 redistribute (1481.05628s) stopped
T12 << 1462304666.32872200 van der Waals (13703.69841s) stopped
T12 << 1462304666.79049897 XC 3D grid (14186.59739s) stopped
T12 >> 1462304666.79056692 Poisson (3039.61118s) started
T12 << 1462304671.20311189 Poisson (3044.02373s) stopped
T12 >> 1462304671.20324492 Hartree integrate/restrict (185.21780s) started
T12 << 1462304671.24093795 Hartree integrate/restrict (185.25550s) stopped
T12 >> 1462304671.24103189 Hartree integrate/restrict (185.25556s) started
T12 << 1462304671.57274103 Hartree integrate/restrict (185.58726s) stopped
T12 >> 1462304671.57284999 Atomic (1195.53698s) started
T12 >> 1462304671.57470489 XC Correction (0.01639s) started
T12 << 1462304671.57471991 XC Correction (0.01640s) stopped
T12 << 1462304674.01068807 Atomic (1197.97482s) stopped
T12 >> 1462304674.01083708 Communicate (5622.78433s) started
T12 << 1462304689.57518792 Communicate (5638.34868s) stopped
T12 << 1462304689.57522988 Hamiltonian (24266.25729s) stopped
T12 >> 1462304689.57525706 LCAO eigensolver (34524.94180s) started
T12 >> 1462304689.57527089 Potential matrix (518.29598s) started
T12 << 1462304690.54534888 Potential matrix (519.26605s) stopped
T12 >> 1462304690.54542494 DistributedAtomicCorrection (212.34277s) started
T12 << 1462304690.99367499 DistributedAtomicCorrection (212.79102s) stopped
T12 >> 1462304690.99374294 Distribute overlap matrix (3911.81154s) started
T12 >> 1462304690.99376798 blocked summation (2185.07736s) started
T12 << 1462304695.45108008 blocked summation (2189.53467s) stopped
T12 >> 1462304695.46057796 Scalapack redistribute (1721.47726s) started
T12 << 1462304698.87393808 Scalapack redistribute (1724.89062s) stopped
T12 << 1462304698.87406611 Distribute overlap matrix (3919.69186s) stopped
T12 >> 1462304698.87888193 Blacs Orbital Layouts (28937.22162s) started
T12 >> 1462304698.88734794 General diagonalize (28819.25624s) started
T12 << 1462304751.53037691 General diagonalize (28871.89927s) stopped
T12 >> 1462304751.53042889 Redistribute coefs (4.35293s) started
T12 << 1462304751.53869200 Redistribute coefs (4.36120s) stopped
T12 >> 1462304751.53876805 Send coefs to domains (108.73885s) started
T12 << 1462304751.95432496 Send coefs to domains (109.15440s) stopped
T12 << 1462304751.95476794 Blacs Orbital Layouts (28990.29750s) stopped
T12 >> 1462304751.95479798 Calculate projections (942.64144s) started
T12 << 1462304753.73526812 Calculate projections (944.42191s) stopped
T12 << 1462304753.73565006 LCAO eigensolver (34589.10219s) stopped
T12 << 1462304756.90147996 SCF-cycle (68798.53744s) stopped
T12 >> 1462304758.84029293 Force calculation (2977.80698s) started
T12 >> 1462304758.84039807 LCAO forces (2945.46759s) started
T12 >> 1462304758.84078097 Initial (0.00087s) started
T12 << 1462304758.84079194 Initial (0.00088s) stopped
T12 >> 1462304758.84741092 Get density matrix (1546.77233s) started
T12 << 1462304767.99240088 Get density matrix (1555.91732s) stopped
T12 >> 1462304767.99245811 Potential (233.24408s) started
T12 << 1462304774.11789107 Potential (239.36951s) stopped
T12 >> 1462304774.11795306 Get density matrix (1555.91736s) started
T12 << 1462304805.27486801 Get density matrix (1587.07428s) stopped
T12 >> 1462304805.27493906 Prepare TCI loop (81.75657s) started
T12 >> 1462304805.27554607 Get neighbors (73.74046s) started
T12 << 1462304807.31384301 Get neighbors (75.77875s) stopped
T12 >> 1462304807.31430197 broadcast dH (7.97286s) started
T12 << 1462304807.43936205 broadcast dH (8.09792s) stopped
T12 << 1462304807.43941092 Prepare TCI loop (83.92104s) stopped
T12 >> 1462304807.43943095 Not so complicated loop (4.52301s) started
T12 << 1462304807.56242490 Not so complicated loop (4.64601s) stopped
T12 >> 1462304807.68929505 Complicated loop (704.90252s) started
T12 << 1462304827.14530206 Complicated loop (724.35852s) stopped
T12 >> 1462304827.14772511 Wait for sum (369.40626s) started
T12 << 1462304836.79418707 Wait for sum (379.05272s) stopped
T12 << 1462304836.79422903 LCAO forces (3023.42142s) stopped
T12 << 1462304837.68482590 Force calculation (3056.65152s) stopped
T12 >> 1462304837.70295811 Initialization (4925.21088s) started
T12 << 1462304837.70313096 Initialization (4925.21105s) stopped
T12 >> 1462304837.70335698 Initialization (4925.21107s) started
T12 << 1462304837.70349503 Initialization (4925.21121s) stopped
T12 >> 1462304837.70363593 Initialization (4925.21122s) started
T12 << 1462304837.70376992 Initialization (4925.21136s) stopped
T12 >> 1462304858.01943111 Initialization (4925.21138s) started
T12 >> 1462304858.13034701 Basic WFS set positions (3.42817s) started
T12 >> 1462304858.13037205 Redistribute (0.01252s) started
T12 << 1462304858.13050294 Redistribute (0.01266s) stopped
T12 << 1462304858.22273803 Basic WFS set positions (3.52056s) stopped
T12 >> 1462304858.22276402 Basis functions set positions (70.88393s) started
T12 << 1462304860.12815809 Basis functions set positions (72.78932s) stopped
T12 >> 1462304860.12876201 TCI: Calculate S, T, P (591.81165s) started
T12 << 1462304875.87615204 TCI: Calculate S, T, P (607.55904s) stopped
T12 >> 1462304875.87621093 blocked summation (875.75136s) started
T12 << 1462304901.58198094 blocked summation (901.45713s) stopped
T12 >> 1462304901.59278297 Scalapack redistribute (346.44967s) started
T12 << 1462304912.66923189 Scalapack redistribute (357.52612s) stopped
T12 >> 1462304912.67028093 blocked summation (901.45717s) started
T12 << 1462304913.69196606 blocked summation (902.47886s) stopped
T12 >> 1462304913.70236492 Scalapack redistribute (357.52616s) started
T12 << 1462304913.93793893 Scalapack redistribute (357.76174s) stopped
T12 >> 1462304913.93999410 Redistribute (0.09678s) started
T12 << 1462304913.94053507 Redistribute (0.09732s) stopped
T12 >> 1462304915.67993808 Redistribute (0.09734s) started
T12 << 1462304915.68041611 Redistribute (0.09782s) stopped
T12 >> 1462304915.69674897 LCAO WFS Initialize (2959.04379s) started
T12 >> 1462304915.69682097 Density initialize from wavefunctions (556.94800s) started
T12 >> 1462304915.70131111 Calculate density matrix (385.90971s) started
T12 << 1462304925.52481103 Calculate density matrix (395.73321s) stopped
T12 >> 1462304925.52487206 Construct density (29.22857s) started
T12 << 1462304926.29803896 Construct density (30.00174s) stopped
T12 >> 1462304926.31252098 Symmetrize density (0.00316s) started
T12 << 1462304926.31259894 Symmetrize density (0.00324s) stopped
T12 << 1462304930.03752899 Density initialize from wavefunctions (571.28871s) stopped
T12 >> 1462304930.03797889 Hamiltonian (2401.17056s) started
T12 >> 1462304930.03800106 vbar (1.10537s) started
T12 << 1462304930.06398511 vbar (1.13135s) stopped
T12 >> 1462304930.06409192 XC 3D grid (1145.39619s) started
T12 >> 1462304930.55464411 van der Waals (1106.67186s) started
T12 >> 1462304930.66513205 semilocal (231.81782s) started
T12 << 1462304936.41703105 semilocal (237.56972s) stopped
T12 >> 1462304936.50908303 redistribute (129.65501s) started
T12 << 1462304937.56829405 redistribute (130.71422s) stopped
T12 >> 1462304937.56834602 libvdwxc nonlocal (737.54326s) started
T12 << 1462304955.66157103 libvdwxc nonlocal (755.63648s) stopped
T12 >> 1462304955.66162109 redistribute (130.71426s) started
T12 << 1462304957.66276097 redistribute (132.71540s) stopped
T12 << 1462304957.66379309 van der Waals (1133.78100s) stopped
T12 << 1462304958.12587309 XC 3D grid (1173.45797s) stopped
T12 >> 1462304958.12593794 Poisson (600.82851s) started
T12 << 1462304975.48542190 Poisson (618.18799s) stopped
T12 >> 1462304975.48550892 Hartree integrate/restrict (14.82018s) started
T12 << 1462304975.52667189 Hartree integrate/restrict (14.86135s) stopped
T12 >> 1462304975.52674007 Hartree integrate/restrict (14.86139s) started
T12 << 1462304975.84336996 Hartree integrate/restrict (15.17802s) stopped
T12 >> 1462304975.84348202 Atomic (94.64267s) started
T12 >> 1462304975.84578896 XC Correction (0.00151s) started
T12 << 1462304975.84582090 XC Correction (0.00154s) stopped
T12 << 1462304978.23435903 Atomic (97.03354s) stopped
T12 >> 1462304978.23454905 Communicate (544.33540s) started
T12 << 1462304996.08913708 Communicate (562.18999s) stopped
T12 << 1462304996.08917904 Hamiltonian (2467.22176s) stopped
T12 << 1462304996.08919406 LCAO WFS Initialize (3039.43624s) stopped
T12 << 1462304996.10157490 Initialization (5063.29352s) stopped
T12 >> 1462304996.12814093 SCF-cycle (68798.53746s) started
T12 >> 1462304996.12818098 LCAO eigensolver (34589.10221s) started
T12 >> 1462304996.12819409 Potential matrix (519.26609s) started
T12 << 1462304997.10769391 Potential matrix (520.24559s) stopped
T12 >> 1462304997.10777402 DistributedAtomicCorrection (212.79106s) started
T12 << 1462304997.53694105 DistributedAtomicCorrection (213.22023s) stopped
T12 >> 1462304997.53698993 Distribute overlap matrix (3919.69188s) started
T12 >> 1462304997.53702593 blocked summation (2189.53470s) started
T12 << 1462305001.99305701 blocked summation (2193.99074s) stopped
T12 >> 1462305002.00205493 Scalapack redistribute (1724.89069s) started
T12 << 1462305005.51993990 Scalapack redistribute (1728.40858s) stopped
T12 << 1462305005.52005506 Distribute overlap matrix (3927.67494s) stopped
T12 >> 1462305005.52401209 Blacs Orbital Layouts (28990.29752s) started
T12 >> 1462305005.53300190 General diagonalize (28871.89932s) started
T12 << 1462305058.47082591 General diagonalize (28924.83714s) stopped
T12 >> 1462305058.47088289 Redistribute coefs (4.36126s) started
T12 << 1462305058.48000693 Redistribute coefs (4.37038s) stopped
T12 >> 1462305058.48005390 Send coefs to domains (109.15444s) started
T12 << 1462305058.58482194 Send coefs to domains (109.25921s) stopped
T12 << 1462305058.58539701 Blacs Orbital Layouts (29043.35891s) stopped
T12 >> 1462305058.58542800 Calculate projections (944.42197s) started
T12 << 1462305060.36392093 Calculate projections (946.20046s) stopped
T12 << 1462305060.36413598 LCAO eigensolver (34653.33817s) stopped
T12 >> 1462305063.55293012 Density (8232.89638s) started
T12 >> 1462305063.55294609 Pseudo density (6363.69498s) started
T12 >> 1462305063.55494905 Calculate density matrix (5978.39687s) started
T12 << 1462305075.25594592 Calculate density matrix (5990.09787s) stopped
T12 >> 1462305075.25600195 Construct density (375.19230s) started
T12 << 1462305076.02956510 Construct density (375.96587s) stopped
T12 >> 1462305076.04357290 Symmetrize density (0.04277s) started
T12 << 1462305076.04364800 Symmetrize density (0.04284s) stopped
T12 << 1462305076.04562712 Pseudo density (6376.18767s) stopped
T12 >> 1462305076.04569507 Atomic density matrices (1647.78787s) started
T12 << 1462305079.47891808 Atomic density matrices (1651.22109s) stopped
T12 >> 1462305079.47895408 Multipole moments (5.76013s) started
T12 << 1462305079.49335408 Multipole moments (5.77453s) stopped
T12 >> 1462305079.49337912 Normalize (3.40164s) started
T12 << 1462305079.49972701 Normalize (3.40798s) stopped
T12 >> 1462305079.49978089 Mix (212.21265s) started
T12 << 1462305079.82893610 Mix (212.54180s) stopped
T12 << 1462305079.82900810 Density (8249.17246s) stopped
T12 >> 1462305079.82903790 Hamiltonian (24266.25730s) started
T12 >> 1462305079.82905293 vbar (13.52192s) started
T12 << 1462305079.85277390 vbar (13.54564s) stopped
T12 >> 1462305079.85291409 XC 3D grid (14186.59744s) started
T12 >> 1462305080.35623097 van der Waals (13703.69843s) started
T12 >> 1462305080.46824002 semilocal (2891.06742s) started
T12 << 1462305086.29813409 semilocal (2896.89731s) stopped
T12 >> 1462305086.38275599 redistribute (1481.05634s) started
T12 << 1462305087.38030291 redistribute (1482.05388s) stopped
T12 >> 1462305087.38037896 libvdwxc nonlocal (9235.98588s) started
T12 << 1462305105.27543902 libvdwxc nonlocal (9253.88094s) stopped
T12 >> 1462305105.27552295 redistribute (1482.05395s) started
T12 << 1462305107.41407704 redistribute (1484.19250s) stopped
T12 << 1462305107.41527200 van der Waals (13730.75747s) stopped
T12 << 1462305107.88265610 XC 3D grid (14214.62719s) stopped
T12 >> 1462305107.88270307 Poisson (3044.02382s) started
T12 << 1462305113.59409308 Poisson (3049.73521s) stopped
T12 >> 1462305113.59417295 Hartree integrate/restrict (185.58732s) started
T12 << 1462305113.63384390 Hartree integrate/restrict (185.62699s) stopped
T12 >> 1462305113.63391495 Hartree integrate/restrict (185.62703s) started
T12 << 1462305114.01164508 Hartree integrate/restrict (186.00476s) stopped
T12 >> 1462305114.01175189 Atomic (1197.97484s) started
T12 >> 1462305114.01388693 XC Correction (0.01641s) started
T12 << 1462305114.01390910 XC Correction (0.01644s) stopped
T12 << 1462305116.41754603 Atomic (1200.38064s) stopped
T12 >> 1462305116.41774201 Communicate (5638.34871s) started
T12 << 1462305134.35859704 Communicate (5656.28957s) stopped
T12 << 1462305134.35863709 Hamiltonian (24320.78690s) stopped
T12 >> 1462305134.35866308 LCAO eigensolver (34653.33819s) started
T12 >> 1462305134.35867691 Potential matrix (520.24564s) started
T12 << 1462305135.32725501 Potential matrix (521.21421s) stopped
T12 >> 1462305135.32733202 DistributedAtomicCorrection (213.22027s) started
T12 << 1462305135.75455403 DistributedAtomicCorrection (213.64749s) stopped
T12 >> 1462305135.75460100 Distribute overlap matrix (3927.67496s) started
T12 >> 1462305135.75463796 blocked summation (2193.99077s) started
T12 << 1462305140.14547992 blocked summation (2198.38161s) stopped
T12 >> 1462305140.15513206 Scalapack redistribute (1728.40864s) started
T12 << 1462305143.83331203 Scalapack redistribute (1732.08682s) stopped
T12 << 1462305143.83343005 Distribute overlap matrix (3935.75378s) stopped
T12 >> 1462305143.83762789 Blacs Orbital Layouts (29043.35893s) started
T12 >> 1462305143.84656000 General diagonalize (28924.83719s) started
T12 << 1462305200.18172193 General diagonalize (28981.17235s) stopped
T12 >> 1462305200.18177390 Redistribute coefs (4.37042s) started
T12 << 1462305200.19052792 Redistribute coefs (4.37917s) stopped
T12 >> 1462305200.19057488 Send coefs to domains (109.25925s) started
T12 << 1462305200.30163002 Send coefs to domains (109.37030s) stopped
T12 << 1462305200.30216503 Blacs Orbital Layouts (29099.82347s) stopped
T12 >> 1462305200.30219603 Calculate projections (946.20051s) started
T12 << 1462305202.08145595 Calculate projections (947.97977s) stopped
T12 << 1462305202.08188701 LCAO eigensolver (34721.06141s) stopped
T12 >> 1462305205.26000500 Density (8249.17247s) started
T12 >> 1462305205.26002192 Pseudo density (6376.18772s) started
T12 >> 1462305205.26203203 Calculate density matrix (5990.09791s) started
T12 << 1462305217.05137110 Calculate density matrix (6001.88725s) stopped
T12 >> 1462305217.05142593 Construct density (375.96593s) started
T12 << 1462305217.82532811 Construct density (376.73983s) stopped
T12 >> 1462305217.83933711 Symmetrize density (0.04286s) started
T12 << 1462305217.83941388 Symmetrize density (0.04294s) stopped
T12 << 1462305217.84139299 Pseudo density (6388.76909s) stopped
T12 >> 1462305217.84146094 Atomic density matrices (1651.22112s) started
T12 << 1462305221.23407888 Atomic density matrices (1654.61374s) stopped
T12 >> 1462305221.23411393 Multipole moments (5.77455s) started
T12 << 1462305221.24793792 Multipole moments (5.78837s) stopped
T12 >> 1462305221.24796391 Normalize (3.40802s) started
T12 << 1462305221.25424099 Normalize (3.41430s) stopped
T12 >> 1462305221.25430202 Mix (212.54187s) started
T12 << 1462305221.60058188 Mix (212.88815s) stopped
T12 << 1462305221.60066295 Density (8265.51313s) stopped
T12 >> 1462305221.60069895 Hamiltonian (24320.78692s) started
T12 >> 1462305221.60071611 vbar (13.54572s) started
T12 << 1462305221.62534809 vbar (13.57035s) stopped
T12 >> 1462305221.62544703 XC 3D grid (14214.62722s) started
T12 >> 1462305222.12932992 van der Waals (13730.75750s) started
T12 >> 1462305222.24209499 semilocal (2896.89740s) started
T12 << 1462305228.11259699 semilocal (2902.76790s) stopped
T12 >> 1462305228.19014001 redistribute (1484.19256s) started
T12 << 1462305229.14373708 redistribute (1485.14616s) stopped
T12 >> 1462305229.14380908 libvdwxc nonlocal (9253.88101s) started
T12 << 1462305247.26614594 libvdwxc nonlocal (9272.00334s) stopped
T12 >> 1462305247.26623011 redistribute (1485.14622s) started
T12 << 1462305249.47898698 redistribute (1487.35897s) stopped
T12 << 1462305249.48032093 van der Waals (13758.10849s) stopped
T12 << 1462305249.94833899 XC 3D grid (14242.95011s) stopped
T12 >> 1462305249.94841290 Poisson (3049.73527s) started
T12 << 1462305262.91575909 Poisson (3062.70262s) stopped
T12 >> 1462305262.91585112 Hartree integrate/restrict (186.00481s) started
T12 << 1462305262.95746493 Hartree integrate/restrict (186.04643s) stopped
T12 >> 1462305262.95754695 Hartree integrate/restrict (186.04648s) started
T12 << 1462305263.27659297 Hartree integrate/restrict (186.36552s) stopped
T12 >> 1462305263.27670693 Atomic (1200.38066s) started
T12 >> 1462305263.27873492 XC Correction (0.01645s) started
T12 << 1462305263.27876592 XC Correction (0.01648s) stopped
T12 << 1462305265.67138410 Atomic (1202.77534s) stopped
T12 >> 1462305265.67157412 Communicate (5656.28960s) started
T12 << 1462305283.61949205 Communicate (5674.23751s) stopped
T12 << 1462305283.61953402 Hamiltonian (24382.80575s) stopped
T12 >> 1462305283.61956000 LCAO eigensolver (34721.06143s) started
T12 >> 1462305283.61957312 Potential matrix (521.21426s) started
T12 << 1462305284.60414004 Potential matrix (522.19882s) stopped
T12 >> 1462305284.60422611 DistributedAtomicCorrection (213.64753s) started
T12 << 1462305285.03425503 DistributedAtomicCorrection (214.07756s) stopped
T12 >> 1462305285.03430390 Distribute overlap matrix (3935.75380s) started
T12 >> 1462305285.03433990 blocked summation (2198.38165s) started
T12 << 1462305289.53027391 blocked summation (2202.87759s) stopped
T12 >> 1462305289.54029298 Scalapack redistribute (1732.08689s) started
T12 << 1462305292.98956990 Scalapack redistribute (1735.53617s) stopped
T12 << 1462305292.98969603 Distribute overlap matrix (3943.70919s) stopped
T12 >> 1462305292.99380589 Blacs Orbital Layouts (29099.82349s) started
T12 >> 1462305293.00253606 General diagonalize (28981.17239s) started
T12 << 1462305345.63858509 General diagonalize (29033.80844s) stopped
T12 >> 1462305345.63863802 Redistribute coefs (4.37921s) started
T12 << 1462305345.64764190 Redistribute coefs (4.38821s) stopped
T12 >> 1462305345.64769006 Send coefs to domains (109.37034s) started
T12 << 1462305345.96167994 Send coefs to domains (109.68433s) stopped
T12 << 1462305345.96216011 Blacs Orbital Layouts (29152.79184s) stopped
T12 >> 1462305345.96219206 Calculate projections (947.97983s) started
T12 << 1462305347.74135900 Calculate projections (949.75900s) stopped
T12 << 1462305347.74175406 LCAO eigensolver (34785.18362s) stopped
T12 >> 1462305350.92392707 Density (8265.51315s) started
T12 >> 1462305350.92394304 Pseudo density (6388.76914s) started
T12 >> 1462305350.92554307 Calculate density matrix (6001.88730s) started
T12 << 1462305362.62898993 Calculate density matrix (6013.59074s) stopped
T12 >> 1462305362.62904596 Construct density (376.73989s) started
T12 << 1462305363.40330505 Construct density (377.51415s) stopped
T12 >> 1462305363.41793704 Symmetrize density (0.04296s) started
T12 << 1462305363.41801310 Symmetrize density (0.04304s) stopped
T12 << 1462305363.41997409 Pseudo density (6401.26518s) stopped
T12 >> 1462305363.42004108 Atomic density matrices (1654.61377s) started
T12 << 1462305366.89769602 Atomic density matrices (1658.09142s) stopped
T12 >> 1462305366.89773297 Multipole moments (5.78839s) started
T12 << 1462305366.91225004 Multipole moments (5.80291s) stopped
T12 >> 1462305366.91227388 Normalize (3.41434s) started
T12 << 1462305366.91855311 Normalize (3.42062s) stopped
T12 >> 1462305366.91867709 Mix (212.88823s) started
T12 << 1462305367.30683994 Mix (213.27639s) stopped
T12 << 1462305367.30689812 Density (8281.89612s) stopped
T12 >> 1462305367.30692506 Hamiltonian (24382.80576s) started
T12 >> 1462305367.30694103 vbar (13.57040s) started
T12 << 1462305367.33070803 vbar (13.59417s) stopped
T12 >> 1462305367.33085108 XC 3D grid (14242.95017s) started
T12 >> 1462305367.83574200 van der Waals (13758.10853s) started
T12 >> 1462305367.94568801 semilocal (2902.76798s) started
T12 << 1462305373.75204897 semilocal (2908.57434s) stopped
T12 >> 1462305373.82627296 redistribute (1487.35903s) started
T12 << 1462305374.82294893 redistribute (1488.35571s) stopped
T12 >> 1462305374.82299995 libvdwxc nonlocal (9272.00341s) started
T12 << 1462305393.42262006 libvdwxc nonlocal (9290.60303s) stopped
T12 >> 1462305393.42268205 redistribute (1488.35575s) started
T12 << 1462305395.59713697 redistribute (1490.53020s) stopped
T12 << 1462305395.59816003 van der Waals (13785.87095s) stopped
T12 << 1462305396.07382989 XC 3D grid (14271.69315s) stopped
T12 >> 1462305396.07389092 Poisson (3062.70268s) started
T12 << 1462305407.63260293 Poisson (3074.26139s) stopped
T12 >> 1462305407.63270497 Hartree integrate/restrict (186.36558s) started
T12 << 1462305407.67087007 Hartree integrate/restrict (186.40375s) stopped
T12 >> 1462305407.67100811 Hartree integrate/restrict (186.40384s) started
T12 << 1462305408.00020504 Hartree integrate/restrict (186.73304s) stopped
T12 >> 1462305408.00031900 Atomic (1202.77536s) started
T12 >> 1462305408.00224900 XC Correction (0.01650s) started
T12 << 1462305408.00227809 XC Correction (0.01653s) stopped
T12 << 1462305410.40352297 Atomic (1205.17857s) stopped
T12 >> 1462305410.40370798 Communicate (5674.23754s) started
T12 << 1462305428.07943106 Communicate (5691.91327s) stopped
T12 << 1462305428.07947111 Hamiltonian (24443.57831s) stopped
T12 >> 1462305428.07949710 LCAO eigensolver (34785.18364s) started
T12 >> 1462305428.07951093 Potential matrix (522.19887s) started
T12 << 1462305429.05251789 Potential matrix (523.17188s) stopped
T12 >> 1462305429.05261397 DistributedAtomicCorrection (214.07760s) started
T12 << 1462305429.48084402 DistributedAtomicCorrection (214.50583s) stopped
T12 >> 1462305429.48089194 Distribute overlap matrix (3943.70920s) started
T12 >> 1462305429.48092794 blocked summation (2202.87762s) started
T12 << 1462305433.90758801 blocked summation (2207.30428s) stopped
T12 >> 1462305433.91670203 Scalapack redistribute (1735.53624s) started
T12 << 1462305437.47077799 Scalapack redistribute (1739.09032s) stopped
T12 << 1462305437.47089911 Distribute overlap matrix (3951.69921s) stopped
T12 >> 1462305437.47501898 Blacs Orbital Layouts (29152.79186s) started
T12 >> 1462305437.48440599 General diagonalize (29033.80849s) started
T12 << 1462305493.08845496 General diagonalize (29089.41253s) stopped
T12 >> 1462305493.08850694 Redistribute coefs (4.38825s) started
T12 << 1462305493.09767795 Redistribute coefs (4.39742s) stopped
T12 >> 1462305493.09772396 Send coefs to domains (109.68437s) started
T12 << 1462305493.19032001 Send coefs to domains (109.77696s) stopped
T12 << 1462305493.19102311 Blacs Orbital Layouts (29208.50787s) stopped
T12 >> 1462305493.19105291 Calculate projections (949.75905s) started
T12 << 1462305494.96928310 Calculate projections (951.53728s) stopped
T12 << 1462305494.96948695 LCAO eigensolver (34852.07363s) stopped
T12 >> 1462305498.15418792 Density (8281.89613s) started
T12 >> 1462305498.15420294 Pseudo density (6401.26523s) started
T12 >> 1462305498.15624905 Calculate density matrix (6013.59079s) started
T12 << 1462305509.87677312 Calculate density matrix (6025.31132s) stopped
T12 >> 1462305509.87683296 Construct density (377.51421s) started
T12 << 1462305510.64978409 Construct density (378.28716s) stopped
T12 >> 1462305510.66367412 Symmetrize density (0.04306s) started
T12 << 1462305510.66374803 Symmetrize density (0.04313s) stopped
T12 << 1462305510.66571212 Pseudo density (6413.77674s) stopped
T12 >> 1462305510.66578102 Atomic density matrices (1658.09145s) started
T12 << 1462305514.07553792 Atomic density matrices (1661.50121s) stopped
T12 >> 1462305514.07557511 Multipole moments (5.80292s) started
T12 << 1462305514.08995104 Multipole moments (5.81730s) stopped
T12 >> 1462305514.08998394 Normalize (3.42073s) started
T12 << 1462305514.09628701 Normalize (3.42703s) stopped
T12 >> 1462305514.09635592 Mix (213.27645s) started
T12 << 1462305514.51244402 Mix (213.69254s) stopped
T12 << 1462305514.51253891 Density (8298.25448s) stopped
T12 >> 1462305514.51257610 Hamiltonian (24443.57832s) started
T12 >> 1462305514.51259398 vbar (13.59425s) started
T12 << 1462305514.53644490 vbar (13.61810s) stopped
T12 >> 1462305514.53652692 XC 3D grid (14271.69320s) started
T12 >> 1462305515.03753591 van der Waals (13785.87098s) started
T12 >> 1462305515.15064192 semilocal (2908.57444s) started
T12 << 1462305520.94568300 semilocal (2914.36948s) stopped
T12 >> 1462305521.02482009 redistribute (1490.53027s) started
T12 << 1462305522.06839108 redistribute (1491.57384s) stopped
T12 >> 1462305522.06846309 libvdwxc nonlocal (9290.60307s) started
T12 << 1462305540.13371706 libvdwxc nonlocal (9308.66833s) stopped
T12 >> 1462305540.13380098 redistribute (1491.57389s) started
T12 << 1462305542.29672909 redistribute (1493.73682s) stopped
T12 << 1462305542.29754496 van der Waals (13813.13099s) stopped
T12 << 1462305542.76330805 XC 3D grid (14299.91998s) stopped
T12 >> 1462305542.76336002 Poisson (3074.26147s) started
T12 << 1462305549.94805598 Poisson (3081.44617s) stopped
T12 >> 1462305549.94813490 Hartree integrate/restrict (186.73310s) started
T12 << 1462305549.98970890 Hartree integrate/restrict (186.77467s) stopped
T12 >> 1462305549.98989296 Hartree integrate/restrict (186.77481s) started
T12 << 1462305550.32724309 Hartree integrate/restrict (187.11216s) stopped
T12 >> 1462305550.32735705 Atomic (1205.17859s) started
T12 >> 1462305550.32923198 XC Correction (0.01654s) started
T12 << 1462305550.32924604 XC Correction (0.01655s) stopped
T12 << 1462305552.72263288 Atomic (1207.57387s) stopped
T12 >> 1462305552.72282505 Communicate (5691.91329s) started
T12 << 1462305569.45309591 Communicate (5708.64356s) stopped
T12 << 1462305569.45313597 Hamiltonian (24498.51888s) stopped
T12 >> 1462305569.45316291 LCAO eigensolver (34852.07365s) started
T12 >> 1462305569.45317698 Potential matrix (523.17193s) started
T12 << 1462305570.42231297 Potential matrix (524.14107s) stopped
T12 >> 1462305570.42240691 DistributedAtomicCorrection (214.50586s) started
T12 << 1462305570.85543108 DistributedAtomicCorrection (214.93889s) stopped
T12 >> 1462305570.85547996 Distribute overlap matrix (3951.69922s) started
T12 >> 1462305570.85551596 blocked summation (2207.30432s) started
T12 << 1462305575.31834197 blocked summation (2211.76715s) stopped
T12 >> 1462305575.32871604 Scalapack redistribute (1739.09039s) started
T12 << 1462305578.78328395 Scalapack redistribute (1742.54496s) stopped
T12 << 1462305578.78339505 Distribute overlap matrix (3959.62714s) stopped
T12 >> 1462305578.78739405 Blacs Orbital Layouts (29208.50789s) started
T12 >> 1462305578.79594803 General diagonalize (29089.41258s) started
T12 << 1462305631.69333911 General diagonalize (29142.30997s) stopped
T12 >> 1462305631.69342995 Redistribute coefs (4.39745s) started
T12 << 1462305631.70279694 Redistribute coefs (4.40682s) stopped
T12 >> 1462305631.70284700 Send coefs to domains (109.77700s) started
T12 << 1462305632.01703501 Send coefs to domains (110.09119s) stopped
T12 << 1462305632.01737690 Blacs Orbital Layouts (29261.73787s) stopped
T12 >> 1462305632.01740789 Calculate projections (951.53734s) started
T12 << 1462305633.79554105 Calculate projections (953.31547s) stopped
T12 << 1462305633.79592395 LCAO eigensolver (34916.41641s) stopped
T12 >> 1462305636.97856307 Density (8298.25450s) started
T12 >> 1462305636.97857904 Pseudo density (6413.77679s) started
T12 >> 1462305636.98046994 Calculate density matrix (6025.31136s) started
T12 << 1462305648.71124411 Calculate density matrix (6037.04214s) stopped
T12 >> 1462305648.71130109 Construct density (378.28722s) started
T12 << 1462305649.48464704 Construct density (379.06057s) stopped
T12 >> 1462305649.49850512 Symmetrize density (0.04315s) started
T12 << 1462305649.49858093 Symmetrize density (0.04323s) stopped
T12 << 1462305649.50056696 Pseudo density (6426.29878s) stopped
T12 >> 1462305649.50063396 Atomic density matrices (1661.50124s) started
T12 << 1462305652.96038795 Atomic density matrices (1664.96099s) stopped
T12 >> 1462305652.96042299 Multipole moments (5.81732s) started
T12 << 1462305652.97498703 Multipole moments (5.83188s) stopped
T12 >> 1462305652.97501898 Normalize (3.42708s) started
T12 << 1462305652.98147511 Normalize (3.43354s) stopped
T12 >> 1462305652.98154211 Mix (213.69263s) started
T12 << 1462305653.40965199 Mix (214.12074s) stopped
T12 << 1462305653.40971398 Density (8314.68565s) stopped
T12 >> 1462305653.40974593 Hamiltonian (24498.51890s) started
T12 >> 1462305653.40976191 vbar (13.61814s) started
T12 << 1462305653.43479896 vbar (13.64318s) stopped
T12 >> 1462305653.43496108 XC 3D grid (14299.92002s) started
T12 >> 1462305653.93831396 van der Waals (13813.13102s) started
T12 >> 1462305654.04877996 semilocal (2914.36959s) started
T12 << 1462305659.85487509 semilocal (2920.17569s) stopped
T12 >> 1462305659.93293810 redistribute (1493.73688s) started
T12 << 1462305660.89697599 redistribute (1494.70092s) stopped
T12 >> 1462305660.89704108 libvdwxc nonlocal (9308.66839s) started
T12 << 1462305679.47295403 libvdwxc nonlocal (9327.24431s) stopped
T12 >> 1462305679.47303891 redistribute (1494.70096s) started
T12 << 1462305681.58723688 redistribute (1496.81516s) stopped
T12 << 1462305681.58823895 van der Waals (13840.78094s) stopped
T12 << 1462305682.06089497 XC 3D grid (14328.54596s) stopped
T12 >> 1462305682.06096292 Poisson (3081.44622s) started
T12 << 1462305687.92268896 Poisson (3087.30795s) stopped
T12 >> 1462305687.92276096 Hartree integrate/restrict (187.11221s) started
T12 << 1462305687.96199799 Hartree integrate/restrict (187.15145s) stopped
T12 >> 1462305687.96216106 Hartree integrate/restrict (187.15156s) started
T12 << 1462305688.31985307 Hartree integrate/restrict (187.50925s) stopped
T12 >> 1462305688.31996393 Atomic (1207.57389s) started
T12 >> 1462305688.32191205 XC Correction (0.01656s) started
T12 << 1462305688.32193089 XC Correction (0.01658s) stopped
T12 << 1462305690.68859005 Atomic (1209.94252s) stopped
T12 >> 1462305690.68876910 Communicate (5708.64359s) started
T12 << 1462305706.71924591 Communicate (5724.67407s) stopped
T12 << 1462305706.71928501 Hamiltonian (24551.82844s) stopped
T12 >> 1462305706.71931195 LCAO eigensolver (34916.41643s) started
T12 >> 1462305706.71932602 Potential matrix (524.14112s) started
T12 << 1462305707.69915104 Potential matrix (525.12094s) stopped
T12 >> 1462305707.69924593 DistributedAtomicCorrection (214.93893s) started
T12 << 1462305708.13890600 DistributedAtomicCorrection (215.37859s) stopped
T12 >> 1462305708.13897300 Distribute overlap matrix (3959.62715s) started
T12 >> 1462305708.13899899 blocked summation (2211.76718s) started
T12 << 1462305712.55032110 blocked summation (2216.17850s) stopped
T12 >> 1462305712.55933499 Scalapack redistribute (1742.54502s) started
T12 << 1462305716.14055204 Scalapack redistribute (1746.12624s) stopped
T12 << 1462305716.14065194 Distribute overlap matrix (3967.62883s) stopped
T12 >> 1462305716.14562011 Blacs Orbital Layouts (29261.73789s) started
T12 >> 1462305716.15496993 General diagonalize (29142.31005s) started
T12 << 1462305771.84089088 General diagonalize (29197.99597s) stopped
T12 >> 1462305771.84094596 Redistribute coefs (4.40686s) started
T12 << 1462305771.85002208 Redistribute coefs (4.41594s) stopped
T12 >> 1462305771.85006905 Send coefs to domains (110.09122s) started
T12 << 1462305771.99552298 Send coefs to domains (110.23668s) stopped
T12 << 1462305771.99601793 Blacs Orbital Layouts (29317.58829s) stopped
T12 >> 1462305771.99605799 Calculate projections (953.31553s) started
T12 << 1462305773.77363610 Calculate projections (955.09311s) stopped
T12 << 1462305773.77383590 LCAO eigensolver (34983.47096s) stopped
T12 >> 1462305776.96087289 Density (8314.68567s) started
T12 >> 1462305776.96088910 Pseudo density (6426.29883s) started
T12 >> 1462305776.96305108 Calculate density matrix (6037.04218s) started
T12 << 1462305789.32324600 Calculate density matrix (6049.40238s) stopped
T12 >> 1462305789.32330203 Construct density (379.06062s) started
T12 << 1462305790.09658504 Construct density (379.83391s) stopped
T12 >> 1462305790.11037397 Symmetrize density (0.04325s) started
T12 << 1462305790.11044002 Symmetrize density (0.04331s) stopped
T12 << 1462305790.11244702 Pseudo density (6439.45039s) stopped
T12 >> 1462305790.11251712 Atomic density matrices (1664.96102s) started
T12 << 1462305793.59729505 Atomic density matrices (1668.44580s) stopped
T12 >> 1462305793.59733295 Multipole moments (5.83190s) started
T12 << 1462305793.61159801 Multipole moments (5.84616s) stopped
T12 >> 1462305793.61162996 Normalize (3.43359s) started
T12 << 1462305793.61790109 Normalize (3.43986s) stopped
T12 >> 1462305793.61796689 Mix (214.12080s) started
T12 << 1462305794.06815195 Mix (214.57098s) stopped
T12 << 1462305794.06824493 Density (8331.79304s) stopped
T12 >> 1462305794.06828094 Hamiltonian (24551.82845s) started
T12 >> 1462305794.06829691 vbar (13.64327s) started
T12 << 1462305794.09405899 vbar (13.66903s) stopped
T12 >> 1462305794.09415507 XC 3D grid (14328.54601s) started
T12 >> 1462305794.58525801 van der Waals (13840.78098s) started
T12 >> 1462305794.69915795 semilocal (2920.17576s) started
T12 << 1462305800.41658592 semilocal (2925.89318s) stopped
T12 >> 1462305800.49446702 redistribute (1496.81523s) started
T12 << 1462305801.57009006 redistribute (1497.89085s) stopped
T12 >> 1462305801.57017493 libvdwxc nonlocal (9327.24437s) started
T12 << 1462305819.61263204 libvdwxc nonlocal (9345.28683s) stopped
T12 >> 1462305819.61270905 redistribute (1497.89092s) started
T12 << 1462305821.63483691 redistribute (1499.91305s) stopped
T12 << 1462305821.63601303 van der Waals (13867.83173s) stopped
T12 << 1462305822.09887505 XC 3D grid (14356.55073s) stopped
T12 >> 1462305822.09892392 Poisson (3087.30800s) started
T12 << 1462305826.49125600 Poisson (3091.70033s) stopped
T12 >> 1462305826.49135089 Hartree integrate/restrict (187.50931s) started
T12 << 1462305826.52986407 Hartree integrate/restrict (187.54782s) stopped
T12 >> 1462305826.53002691 Hartree integrate/restrict (187.54794s) started
T12 << 1462305826.85012794 Hartree integrate/restrict (187.86804s) stopped
T12 >> 1462305826.85022998 Atomic (1209.94254s) started
T12 >> 1462305826.85216093 XC Correction (0.01660s) started
T12 << 1462305826.85218596 XC Correction (0.01662s) stopped
T12 << 1462305829.23802710 Atomic (1212.33034s) stopped
T12 >> 1462305829.23819900 Communicate (5724.67409s) started
T12 << 1462305845.27535892 Communicate (5740.71125s) stopped
T12 << 1462305845.27539206 Hamiltonian (24603.03556s) stopped
T12 >> 1462305845.27541494 LCAO eigensolver (34983.47098s) started
T12 >> 1462305845.27542806 Potential matrix (525.12099s) started
T12 << 1462305846.24232006 Potential matrix (526.08789s) stopped
T12 >> 1462305846.24240208 DistributedAtomicCorrection (215.37863s) started
T12 << 1462305846.67551708 DistributedAtomicCorrection (215.81174s) stopped
T12 >> 1462305846.67558193 Distribute overlap matrix (3967.62884s) started
T12 >> 1462305846.67560697 blocked summation (2216.17854s) started
T12 << 1462305851.11014295 blocked summation (2220.61308s) stopped
T12 >> 1462305851.11938000 Scalapack redistribute (1746.12629s) started
T12 << 1462305854.67890906 Scalapack redistribute (1749.68582s) stopped
T12 << 1462305854.67900991 Distribute overlap matrix (3975.63227s) stopped
T12 >> 1462305854.68393803 Blacs Orbital Layouts (29317.58831s) started
T12 >> 1462305854.69279099 General diagonalize (29197.99601s) started
T12 << 1462305907.64184809 General diagonalize (29250.94507s) stopped
T12 >> 1462305907.64190507 Redistribute coefs (4.41597s) started
T12 << 1462305907.65098691 Redistribute coefs (4.42505s) stopped
T12 >> 1462305907.65103412 Send coefs to domains (110.23672s) started
T12 << 1462305907.96053195 Send coefs to domains (110.54622s) stopped
T12 << 1462305907.96109891 Blacs Orbital Layouts (29370.86547s) stopped
T12 >> 1462305907.96112990 Calculate projections (955.09317s) started
T12 << 1462305909.73829007 Calculate projections (956.87033s) stopped
T12 << 1462305909.73850298 LCAO eigensolver (35047.93407s) stopped
T12 >> 1462305912.95297909 Density (8331.79305s) started
T12 >> 1462305912.95299411 Pseudo density (6439.45045s) started
T12 >> 1462305912.95514393 Calculate density matrix (6049.40242s) started
T12 << 1462305924.65646696 Calculate density matrix (6061.10374s) stopped
T12 >> 1462305924.65652299 Construct density (379.83397s) started
T12 << 1462305925.42883611 Construct density (380.60628s) stopped
T12 >> 1462305925.44235492 Symmetrize density (0.04333s) started
T12 << 1462305925.44242001 Symmetrize density (0.04340s) stopped
T12 << 1462305925.44448590 Pseudo density (6451.94194s) stopped
T12 >> 1462305925.44455600 Atomic density matrices (1668.44582s) started
T12 << 1462305928.90361500 Atomic density matrices (1671.90488s) stopped
T12 >> 1462305928.90365410 Multipole moments (5.84618s) started
T12 << 1462305928.91802406 Multipole moments (5.86055s) stopped
T12 >> 1462305928.91805696 Normalize (3.43990s) started
T12 << 1462305928.92432094 Normalize (3.44617s) stopped
T12 >> 1462305928.92438412 Mix (214.57107s) started
T12 << 1462305929.39168000 Mix (215.03837s) stopped
T12 << 1462305929.39173698 Density (8348.23181s) stopped
T12 >> 1462305929.39176393 Hamiltonian (24603.03557s) started
T12 >> 1462305929.39177990 vbar (13.66909s) started
T12 << 1462305929.41485190 vbar (13.69216s) stopped
T12 >> 1462305929.41502309 XC 3D grid (14356.55077s) started
T12 >> 1462305929.90515399 van der Waals (13867.83177s) started
T12 >> 1462305930.01928806 semilocal (2925.89328s) started
T12 << 1462305935.74177790 semilocal (2931.61577s) stopped
T12 >> 1462305935.81593394 redistribute (1499.91311s) started
T12 << 1462305936.90287209 redistribute (1501.00004s) stopped
T12 >> 1462305936.90292311 libvdwxc nonlocal (9345.28689s) started
T12 << 1462305954.76883101 libvdwxc nonlocal (9363.15279s) stopped
T12 >> 1462305954.76891088 redistribute (1501.00008s) started
T12 << 1462305956.93170595 redistribute (1503.16288s) stopped
T12 << 1462305956.93285489 van der Waals (13894.85947s) stopped
T12 << 1462305957.39362192 XC 3D grid (14384.52937s) stopped
T12 >> 1462305957.39367104 Poisson (3091.70039s) started
T12 << 1462305961.73639202 Poisson (3096.04311s) stopped
T12 >> 1462305961.73649812 Hartree integrate/restrict (187.86809s) started
T12 << 1462305961.77360106 Hartree integrate/restrict (187.90519s) stopped
T12 >> 1462305961.77369308 Hartree integrate/restrict (187.90525s) started
T12 << 1462305962.13719797 Hartree integrate/restrict (188.26876s) stopped
T12 >> 1462305962.13730407 Atomic (1212.33037s) started
T12 >> 1462305962.13918090 XC Correction (0.01663s) started
T12 << 1462305962.13919497 XC Correction (0.01665s) stopped
T12 << 1462305964.52551389 Atomic (1214.71858s) stopped
T12 >> 1462305964.52568197 Communicate (5740.71127s) started
T12 << 1462305980.54417205 Communicate (5756.72976s) stopped
T12 << 1462305980.54421496 Hamiltonian (24654.18802s) stopped
T12 >> 1462305980.54424095 LCAO eigensolver (35047.93408s) started
T12 >> 1462305980.54425502 Potential matrix (526.08793s) started
T12 << 1462305981.52388597 Potential matrix (527.06756s) stopped
T12 >> 1462305981.52396703 DistributedAtomicCorrection (215.81178s) started
T12 << 1462305981.95401001 DistributedAtomicCorrection (216.24183s) stopped
T12 >> 1462305981.95407701 Distribute overlap matrix (3975.63228s) started
T12 >> 1462305981.95410109 blocked summation (2220.61311s) started
T12 << 1462305986.38437104 blocked summation (2225.04338s) stopped
T12 >> 1462305986.39338589 Scalapack redistribute (1749.68588s) started
T12 << 1462305989.96258903 Scalapack redistribute (1753.25508s) stopped
T12 << 1462305989.96266794 Distribute overlap matrix (3983.64088s) stopped
T12 >> 1462305989.96732092 Blacs Orbital Layouts (29370.86549s) started
T12 >> 1462305989.97593188 General diagonalize (29250.94511s) started
T12 << 1462306045.48014903 General diagonalize (29306.44933s) stopped
T12 >> 1462306045.48020101 Redistribute coefs (4.42509s) started
T12 << 1462306045.48909807 Redistribute coefs (4.43399s) stopped
T12 >> 1462306045.48914504 Send coefs to domains (110.54626s) started
T12 << 1462306045.79988408 Send coefs to domains (110.85700s) stopped
T12 << 1462306045.80049896 Blacs Orbital Layouts (29426.69867s) stopped
T12 >> 1462306045.80053091 Calculate projections (956.87039s) started
T12 << 1462306047.57844996 Calculate projections (958.64830s) stopped
T12 << 1462306047.57865500 LCAO eigensolver (35114.96850s) stopped
T12 >> 1462306050.77883697 Density (8348.23182s) started
T12 >> 1462306050.77885294 Pseudo density (6451.94199s) started
T12 >> 1462306050.78097391 Calculate density matrix (6061.10378s) started
T12 << 1462306062.49771190 Calculate density matrix (6072.82052s) stopped
T12 >> 1462306062.49777007 Construct density (380.60634s) started
T12 << 1462306063.26997995 Construct density (381.37855s) stopped
T12 >> 1462306063.28464389 Symmetrize density (0.04342s) started
T12 << 1462306063.28471494 Symmetrize density (0.04349s) stopped
T12 << 1462306063.28671694 Pseudo density (6464.44986s) stopped
T12 >> 1462306063.28678393 Atomic density matrices (1671.90491s) started
T12 << 1462306066.76037788 Atomic density matrices (1675.37850s) stopped
T12 >> 1462306066.76041508 Multipole moments (5.86056s) started
T12 << 1462306066.77478290 Multipole moments (5.87493s) stopped
T12 >> 1462306066.77481794 Normalize (3.44621s) started
T12 << 1462306066.78117108 Normalize (3.45256s) stopped
T12 >> 1462306066.78124309 Mix (215.03842s) started
T12 << 1462306067.23162103 Mix (215.48880s) stopped
T12 << 1462306067.23168993 Density (8364.68468s) stopped
T12 >> 1462306067.23171902 Hamiltonian (24654.18803s) started
T12 >> 1462306067.23173594 vbar (13.69225s) started
T12 << 1462306067.25397301 vbar (13.71449s) stopped
T12 >> 1462306067.25410604 XC 3D grid (14384.52941s) started
T12 >> 1462306067.74797797 van der Waals (13894.85949s) started
T12 >> 1462306067.86118603 semilocal (2931.61586s) started
T12 << 1462306073.69324088 semilocal (2937.44792s) stopped
T12 >> 1462306073.76905608 redistribute (1503.16294s) started
T12 << 1462306074.73672700 redistribute (1504.13061s) stopped
T12 >> 1462306074.73677802 libvdwxc nonlocal (9363.15285s) started
T12 << 1462306092.73619294 libvdwxc nonlocal (9381.15227s) stopped
T12 >> 1462306092.73627305 redistribute (1504.13066s) started
T12 << 1462306094.84719896 redistribute (1506.24158s) stopped
T12 << 1462306094.84844303 van der Waals (13921.95996s) stopped
T12 << 1462306095.31233406 XC 3D grid (14412.58764s) stopped
T12 >> 1462306095.31239200 Poisson (3096.04319s) started
T12 << 1462306099.66806197 Poisson (3100.39886s) stopped
T12 >> 1462306099.66818094 Hartree integrate/restrict (188.26881s) started
T12 << 1462306099.70875406 Hartree integrate/restrict (188.30938s) stopped
T12 >> 1462306099.70883799 Hartree integrate/restrict (188.30943s) started
T12 << 1462306100.04258490 Hartree integrate/restrict (188.64318s) stopped
T12 >> 1462306100.04278588 Atomic (1214.71860s) started
T12 >> 1462306100.04662800 XC Correction (0.01667s) started
T12 << 1462306100.04669404 XC Correction (0.01673s) stopped
T12 << 1462306102.43154502 Atomic (1217.10736s) stopped
T12 >> 1462306102.43170810 Communicate (5756.72979s) started
T12 << 1462306118.49292803 Communicate (5772.79101s) stopped
T12 << 1462306118.49296999 Hamiltonian (24705.44929s) stopped
T12 >> 1462306118.49299693 LCAO eigensolver (35114.96852s) started
T12 >> 1462306118.49301004 Potential matrix (527.06761s) started
T12 << 1462306119.46386909 Potential matrix (528.03847s) stopped
T12 >> 1462306119.46394992 DistributedAtomicCorrection (216.24187s) started
T12 << 1462306119.89930105 DistributedAtomicCorrection (216.67722s) stopped
T12 >> 1462306119.89936590 Distribute overlap matrix (3983.64089s) started
T12 >> 1462306119.89939094 blocked summation (2225.04342s) started
T12 << 1462306124.35704994 blocked summation (2229.50108s) stopped
T12 >> 1462306124.36624408 Scalapack redistribute (1753.25512s) started
T12 << 1462306127.92588305 Scalapack redistribute (1756.81476s) stopped
T12 << 1462306127.92598701 Distribute overlap matrix (3991.66751s) stopped
T12 >> 1462306127.93011498 Blacs Orbital Layouts (29426.69870s) started
T12 >> 1462306127.93891406 General diagonalize (29306.44937s) started
T12 << 1462306181.71230888 General diagonalize (29360.22277s) stopped
T12 >> 1462306181.71236110 Redistribute coefs (4.43402s) started
T12 << 1462306181.72100806 Redistribute coefs (4.44267s) stopped
T12 >> 1462306181.72105598 Send coefs to domains (110.85703s) started
T12 << 1462306181.81793189 Send coefs to domains (110.95391s) stopped
T12 << 1462306181.81829190 Blacs Orbital Layouts (29480.58687s) stopped
T12 >> 1462306181.81832194 Calculate projections (958.64836s) started
T12 << 1462306183.59744000 Calculate projections (960.42748s) stopped
T12 << 1462306183.59765601 LCAO eigensolver (35180.07318s) stopped
T12 >> 1462306186.76373696 Density (8364.68469s) started
T12 >> 1462306186.76375294 Pseudo density (6464.44991s) started
T12 >> 1462306186.76583195 Calculate density matrix (6072.82057s) started
T12 << 1462306198.60218000 Calculate density matrix (6084.65692s) stopped
T12 >> 1462306198.60223794 Construct density (381.37860s) started
T12 << 1462306199.37741208 Construct density (382.15378s) stopped
T12 >> 1462306199.39142704 Symmetrize density (0.04351s) started
T12 << 1462306199.39150190 Symmetrize density (0.04358s) stopped
T12 << 1462306199.39349699 Pseudo density (6477.07965s) stopped
T12 >> 1462306199.39356494 Atomic density matrices (1675.37853s) started
T12 << 1462306202.79726291 Atomic density matrices (1678.78223s) stopped
T12 >> 1462306202.79730296 Multipole moments (5.87495s) started
T12 << 1462306202.81118011 Multipole moments (5.88882s) stopped
T12 >> 1462306202.81121302 Normalize (3.45262s) started
T12 << 1462306202.81738901 Normalize (3.45879s) stopped
T12 >> 1462306202.81746292 Mix (215.48887s) started
T12 << 1462306203.25686789 Mix (215.92827s) stopped
T12 << 1462306203.25693202 Density (8381.17789s) stopped
T12 >> 1462306203.25696111 Hamiltonian (24705.44930s) started
T12 >> 1462306203.25697708 vbar (13.71457s) started
T12 << 1462306203.27984095 vbar (13.73743s) stopped
T12 >> 1462306203.27998805 XC 3D grid (14412.58768s) started
T12 >> 1462306203.77129793 van der Waals (13921.95999s) started
T12 >> 1462306203.88292289 semilocal (2937.44802s) started
T12 << 1462306209.71251512 semilocal (2943.27761s) stopped
T12 >> 1462306209.79081607 redistribute (1506.24165s) started
T12 << 1462306210.74678898 redistribute (1507.19762s) stopped
T12 >> 1462306210.74684405 libvdwxc nonlocal (9381.15233s) started
T12 << 1462306229.06785607 libvdwxc nonlocal (9399.47334s) stopped
T12 >> 1462306229.06792998 redistribute (1507.19766s) started
T12 << 1462306231.03616190 redistribute (1509.16589s) stopped
T12 << 1462306231.03725195 van der Waals (13949.22594s) stopped
T12 << 1462306231.50067997 XC 3D grid (14440.80838s) stopped
T12 >> 1462306231.50074410 Poisson (3100.39896s) started
T12 << 1462306235.86933589 Poisson (3104.76755s) stopped
T12 >> 1462306235.86945510 Hartree integrate/restrict (188.64327s) started
T12 << 1462306235.90876698 Hartree integrate/restrict (188.68259s) stopped
T12 >> 1462306235.90891695 Hartree integrate/restrict (188.68268s) started
T12 << 1462306236.25806403 Hartree integrate/restrict (189.03183s) stopped
T12 >> 1462306236.25817800 Atomic (1217.10739s) started
T12 >> 1462306236.26021099 XC Correction (0.01675s) started
T12 << 1462306236.26024389 XC Correction (0.01679s) stopped
T12 << 1462306238.64424610 Atomic (1219.49346s) stopped
T12 >> 1462306238.64440203 Communicate (5772.79104s) started
T12 << 1462306254.69429803 Communicate (5788.84094s) stopped
T12 << 1462306254.69433904 Hamiltonian (24756.88668s) stopped
T12 >> 1462306254.69436693 LCAO eigensolver (35180.07320s) started
T12 >> 1462306254.69438100 Potential matrix (528.03851s) started
T12 << 1462306255.66586208 Potential matrix (529.00999s) stopped
T12 >> 1462306255.66594410 DistributedAtomicCorrection (216.67726s) started
T12 << 1462306256.10263991 DistributedAtomicCorrection (217.11395s) stopped
T12 >> 1462306256.10270691 Distribute overlap matrix (3991.66752s) started
T12 >> 1462306256.10273194 blocked summation (2229.50114s) started
T12 << 1462306260.59369707 blocked summation (2233.99211s) stopped
T12 >> 1462306260.60278106 Scalapack redistribute (1756.81482s) started
T12 << 1462306264.07627010 Scalapack redistribute (1760.28831s) stopped
T12 << 1462306264.07636905 Distribute overlap matrix (3999.64119s) stopped
T12 >> 1462306264.08052111 Blacs Orbital Layouts (29480.58689s) started
T12 >> 1462306264.08937907 General diagonalize (29360.22281s) started
T12 << 1462306317.17904401 General diagonalize (29413.31248s) stopped
T12 >> 1462306317.17909789 Redistribute coefs (4.44271s) started
T12 << 1462306317.18815994 Redistribute coefs (4.45177s) stopped
T12 >> 1462306317.18820596 Send coefs to domains (110.95395s) started
T12 << 1462306317.42209005 Send coefs to domains (111.18783s) stopped
T12 << 1462306317.42261410 Blacs Orbital Layouts (29533.92899s) stopped
T12 >> 1462306317.42264509 Calculate projections (960.42754s) started
T12 << 1462306319.20051503 Calculate projections (962.20541s) stopped
T12 << 1462306319.20072198 LCAO eigensolver (35244.57955s) stopped
T12 >> 1462306322.39750504 Density (8381.17790s) started
T12 >> 1462306322.39752007 Pseudo density (6477.07971s) started
T12 >> 1462306322.39998007 Calculate density matrix (6084.65696s) started
T12 << 1462306334.06457090 Calculate density matrix (6096.32155s) stopped
T12 >> 1462306334.06462789 Construct density (382.15384s) started
T12 << 1462306334.83541298 Construct density (382.92462s) stopped
T12 >> 1462306334.84940195 Symmetrize density (0.04360s) started
T12 << 1462306334.84947300 Symmetrize density (0.04367s) stopped
T12 << 1462306334.85148692 Pseudo density (6489.53367s) stopped
T12 >> 1462306334.85155511 Atomic density matrices (1678.78226s) started
T12 << 1462306338.24792099 Atomic density matrices (1682.17863s) stopped
T12 >> 1462306338.24795890 Multipole moments (5.88884s) started
T12 << 1462306338.26227808 Multipole moments (5.90316s) stopped
T12 >> 1462306338.26231003 Normalize (3.45885s) started
T12 << 1462306338.26857901 Normalize (3.46511s) stopped
T12 >> 1462306338.26864600 Mix (215.92834s) started
T12 << 1462306338.71336508 Mix (216.37306s) stopped
T12 << 1462306338.71343589 Density (8397.49383s) stopped
T12 >> 1462306338.71346498 Hamiltonian (24756.88669s) started
T12 >> 1462306338.71348095 vbar (13.73752s) started
T12 << 1462306338.73467493 vbar (13.75871s) stopped
T12 >> 1462306338.73476291 XC 3D grid (14440.80843s) started
T12 >> 1462306339.23087692 van der Waals (13949.22597s) started
T12 >> 1462306339.34421206 semilocal (2943.27766s) started
T12 << 1462306345.10890603 semilocal (2949.04236s) stopped
T12 >> 1462306345.18292403 redistribute (1509.16596s) started
T12 << 1462306346.24258709 redistribute (1510.22562s) stopped
T12 >> 1462306346.24263811 libvdwxc nonlocal (9399.47340s) started
T12 << 1462306364.31295800 libvdwxc nonlocal (9417.54372s) stopped
T12 >> 1462306364.31301689 redistribute (1510.22566s) started
T12 << 1462306366.31673002 redistribute (1512.22937s) stopped
T12 << 1462306366.31760097 van der Waals (13976.31270s) stopped
T12 << 1462306366.78191590 XC 3D grid (14468.85558s) stopped
T12 >> 1462306366.78197598 Poisson (3104.76764s) started
T12 << 1462306371.08365893 Poisson (3109.06932s) stopped
T12 >> 1462306371.08375192 Hartree integrate/restrict (189.03189s) started
T12 << 1462306371.12192798 Hartree integrate/restrict (189.07006s) stopped
T12 >> 1462306371.12200594 Hartree integrate/restrict (189.07011s) started
T12 << 1462306371.43972707 Hartree integrate/restrict (189.38783s) stopped
T12 >> 1462306371.43984294 Atomic (1219.49349s) started
T12 >> 1462306371.44172692 XC Correction (0.01680s) started
T12 << 1462306371.44175410 XC Correction (0.01683s) stopped
T12 << 1462306373.82846189 Atomic (1221.88211s) stopped
T12 >> 1462306373.82860589 Communicate (5788.84096s) started
T12 << 1462306389.92172790 Communicate (5804.93408s) stopped
T12 << 1462306389.92177200 Hamiltonian (24808.09500s) stopped
T12 >> 1462306389.92180109 LCAO eigensolver (35244.57957s) started
T12 >> 1462306389.92181897 Potential matrix (529.01004s) started
T12 << 1462306390.89338207 Potential matrix (529.98160s) stopped
T12 >> 1462306390.89347506 DistributedAtomicCorrection (217.11399s) started
T12 << 1462306391.32969189 DistributedAtomicCorrection (217.55021s) stopped
T12 >> 1462306391.32975698 Distribute overlap matrix (3999.64120s) started
T12 >> 1462306391.32978201 blocked summation (2233.99214s) started
T12 << 1462306395.82392597 blocked summation (2238.48629s) stopped
T12 >> 1462306395.83343196 Scalapack redistribute (1760.28837s) started
T12 << 1462306399.24461293 Scalapack redistribute (1763.69955s) stopped
T12 << 1462306399.24471807 Distribute overlap matrix (4007.55616s) stopped
T12 >> 1462306399.24885106 Blacs Orbital Layouts (29533.92901s) started
T12 >> 1462306399.25763392 General diagonalize (29413.31252s) started
T12 << 1462306454.56390405 General diagonalize (29468.61879s) stopped
T12 >> 1462306454.56395602 Redistribute coefs (4.45180s) started
T12 << 1462306454.57319093 Redistribute coefs (4.46104s) stopped
T12 >> 1462306454.57323909 Send coefs to domains (111.18787s) started
T12 << 1462306454.68106699 Send coefs to domains (111.29570s) stopped
T12 << 1462306454.68164802 Blacs Orbital Layouts (29589.36180s) stopped
T12 >> 1462306454.68167901 Calculate projections (962.20547s) started
T12 << 1462306456.46148300 Calculate projections (963.98527s) stopped
T12 << 1462306456.46169305 LCAO eigensolver (35311.11946s) stopped
T12 >> 1462306459.64682698 Density (8397.49385s) started
T12 >> 1462306459.64684391 Pseudo density (6489.53373s) started
T12 >> 1462306459.64900398 Calculate density matrix (6096.32159s) started
T12 << 1462306471.44603300 Calculate density matrix (6108.11862s) stopped
T12 >> 1462306471.44608998 Construct density (382.92468s) started
T12 << 1462306472.21781802 Construct density (383.69641s) stopped
T12 >> 1462306472.23154306 Symmetrize density (0.04369s) started
T12 << 1462306472.23161411 Symmetrize density (0.04376s) stopped
T12 << 1462306472.23359299 Pseudo density (6502.12048s) stopped
T12 >> 1462306472.23366189 Atomic density matrices (1682.17866s) started
T12 << 1462306475.59228492 Atomic density matrices (1685.53728s) stopped
T12 >> 1462306475.59232402 Multipole moments (5.90318s) started
T12 << 1462306475.60665703 Multipole moments (5.91751s) stopped
T12 >> 1462306475.60668898 Normalize (3.46516s) started
T12 << 1462306475.61304092 Normalize (3.47151s) stopped
T12 >> 1462306475.61311102 Mix (216.37313s) started
T12 << 1462306476.06758094 Mix (216.82760s) stopped
T12 << 1462306476.06763697 Density (8413.91466s) stopped
T12 >> 1462306476.06766510 Hamiltonian (24808.09501s) started
T12 >> 1462306476.06767893 vbar (13.75876s) started
T12 << 1462306476.09118295 vbar (13.78227s) stopped
T12 >> 1462306476.09133291 XC 3D grid (14468.85563s) started
T12 >> 1462306476.58383107 van der Waals (13976.31273s) started
T12 >> 1462306476.69643497 semilocal (2949.04245s) started
T12 << 1462306482.42429304 semilocal (2954.77031s) stopped
T12 >> 1462306482.50101709 redistribute (1512.22944s) started
T12 << 1462306483.55567598 redistribute (1513.28410s) stopped
T12 >> 1462306483.55572701 libvdwxc nonlocal (9417.54376s) started
T12 << 1462306501.52064300 libvdwxc nonlocal (9435.50868s) stopped
T12 >> 1462306501.52072191 redistribute (1513.28413s) started
T12 << 1462306503.54807401 redistribute (1515.31149s) stopped
T12 << 1462306503.54929996 van der Waals (14003.27820s) stopped
T12 << 1462306504.01954007 XC 3D grid (14496.78384s) stopped
T12 >> 1462306504.01958990 Poisson (3109.06939s) started
T12 << 1462306507.01914811 Poisson (3112.06895s) stopped
T12 >> 1462306507.01923990 Hartree integrate/restrict (189.38789s) started
T12 << 1462306507.05763793 Hartree integrate/restrict (189.42629s) stopped
T12 >> 1462306507.05776596 Hartree integrate/restrict (189.42637s) started
T12 << 1462306507.37742209 Hartree integrate/restrict (189.74603s) stopped
T12 >> 1462306507.37752795 Atomic (1221.88213s) started
T12 >> 1462306507.37948298 XC Correction (0.01684s) started
T12 << 1462306507.37950897 XC Correction (0.01687s) stopped
T12 << 1462306509.76646805 Atomic (1224.27107s) stopped
T12 >> 1462306509.76660490 Communicate (5804.93411s) started
T12 << 1462306525.86173391 Communicate (5821.02924s) stopped
T12 << 1462306525.86177802 Hamiltonian (24857.88912s) stopped
T12 >> 1462306525.86180902 LCAO eigensolver (35311.11948s) started
T12 >> 1462306525.86182308 Potential matrix (529.98165s) started
T12 << 1462306526.83430409 Potential matrix (530.95413s) stopped
T12 >> 1462306526.83437705 DistributedAtomicCorrection (217.55025s) started
T12 << 1462306527.26203990 DistributedAtomicCorrection (217.97791s) stopped
T12 >> 1462306527.26210308 Distribute overlap matrix (4007.55618s) started
T12 >> 1462306527.26212692 blocked summation (2238.48632s) started
T12 << 1462306531.83283710 blocked summation (2243.05703s) stopped
T12 >> 1462306531.84197211 Scalapack redistribute (1763.69961s) started
T12 << 1462306535.17859602 Scalapack redistribute (1767.03623s) stopped
T12 << 1462306535.17871690 Distribute overlap matrix (4015.47279s) stopped
T12 >> 1462306535.18357110 Blacs Orbital Layouts (29589.36183s) started
T12 >> 1462306535.19242191 General diagonalize (29468.61884s) started
T12 << 1462306587.69558001 General diagonalize (29521.12199s) stopped
T12 >> 1462306587.69562507 Redistribute coefs (4.46108s) started
T12 << 1462306587.70429301 Redistribute coefs (4.46974s) stopped
T12 >> 1462306587.70433402 Send coefs to domains (111.29573s) started
T12 << 1462306587.81689191 Send coefs to domains (111.40829s) stopped
T12 << 1462306587.81744695 Blacs Orbital Layouts (29641.99570s) stopped
T12 >> 1462306587.81747508 Calculate projections (963.98533s) started
T12 << 1462306589.58607101 Calculate projections (965.75393s) stopped
T12 << 1462306589.58630610 LCAO eigensolver (35374.84398s) stopped
T12 << 1462306592.77542591 SCF-cycle (70395.18474s) stopped
T12 >> 1462306594.74666309 Force calculation (3056.65155s) started
T12 >> 1462306594.74674702 LCAO forces (3023.42143s) started
T12 >> 1462306594.74712110 Initial (0.00089s) started
T12 << 1462306594.74713206 Initial (0.00090s) stopped
T12 >> 1462306594.75382495 Get density matrix (1587.07431s) started
T12 << 1462306604.38795900 Get density matrix (1596.70845s) stopped
T12 >> 1462306604.38800097 Potential (239.36956s) started
T12 << 1462306610.50504994 Potential (245.48661s) stopped
T12 >> 1462306610.50511098 Get density matrix (1596.70848s) started
T12 << 1462306641.66021299 Get density matrix (1627.86358s) stopped
T12 >> 1462306641.66027093 Prepare TCI loop (83.92105s) started
T12 >> 1462306641.66079092 Get neighbors (75.77881s) started
T12 << 1462306643.52909493 Get neighbors (77.64711s) stopped
T12 >> 1462306643.52939892 broadcast dH (8.09795s) started
T12 << 1462306643.92206192 broadcast dH (8.49061s) stopped
T12 << 1462306643.92210293 Prepare TCI loop (86.18289s) stopped
T12 >> 1462306643.92212200 Not so complicated loop (4.64604s) started
T12 << 1462306644.03736496 Not so complicated loop (4.76129s) stopped
T12 >> 1462306644.15253091 Complicated loop (724.35856s) started
T12 << 1462306663.22100997 Complicated loop (743.42704s) stopped
T12 >> 1462306663.22283697 Wait for sum (379.05276s) started
T12 << 1462306673.06854105 Wait for sum (388.89847s) stopped
T12 << 1462306673.06857491 LCAO forces (3101.74326s) stopped
T12 << 1462306673.90190911 Force calculation (3135.80679s) stopped
T12 >> 1462306673.91975999 Initialization (5063.29354s) started
T12 << 1462306673.91993403 Initialization (5063.29371s) stopped
T12 >> 1462306673.92015409 Initialization (5063.29373s) started
T12 << 1462306673.92028904 Initialization (5063.29386s) stopped
T12 >> 1462306673.92042804 Initialization (5063.29388s) started
T12 << 1462306673.92055988 Initialization (5063.29401s) stopped
T12 >> 1462306694.23895907 Initialization (5063.29403s) started
T12 >> 1462306694.32918406 Basic WFS set positions (3.52058s) started
T12 >> 1462306694.32922697 Redistribute (0.01267s) started
T12 << 1462306694.32935691 Redistribute (0.01280s) stopped
T12 << 1462306694.41728997 Basic WFS set positions (3.60869s) stopped
T12 >> 1462306694.41731405 Basis functions set positions (72.78935s) started
T12 << 1462306696.34170008 Basis functions set positions (74.71374s) stopped
T12 >> 1462306696.34220600 TCI: Calculate S, T, P (607.55907s) started
T12 << 1462306712.08590794 TCI: Calculate S, T, P (623.30277s) stopped
T12 >> 1462306712.08596206 blocked summation (902.47889s) started
T12 << 1462306739.88620305 blocked summation (930.27913s) stopped
T12 >> 1462306739.89551306 Scalapack redistribute (357.76179s) started
T12 << 1462306747.94753194 Scalapack redistribute (365.81381s) stopped
T12 >> 1462306747.94871402 blocked summation (930.27917s) started
T12 << 1462306748.96822906 blocked summation (931.29868s) stopped
T12 >> 1462306748.97699499 Scalapack redistribute (365.81387s) started
T12 << 1462306749.25801492 Scalapack redistribute (366.09489s) stopped
T12 >> 1462306749.26036596 Redistribute (0.09783s) started
T12 << 1462306749.26090908 Redistribute (0.09838s) stopped
T12 >> 1462306751.00239992 Redistribute (0.09839s) started
T12 << 1462306751.00285292 Redistribute (0.09885s) stopped
T12 >> 1462306751.01886797 LCAO WFS Initialize (3039.43625s) started
T12 >> 1462306751.01890302 Density initialize from wavefunctions (571.28880s) started
T12 >> 1462306751.02674198 Calculate density matrix (395.73325s) started
T12 << 1462306760.82846808 Calculate density matrix (405.53497s) stopped
T12 >> 1462306760.82851696 Construct density (30.00180s) started
T12 << 1462306761.59708190 Construct density (30.77037s) stopped
T12 >> 1462306761.61167002 Symmetrize density (0.00326s) started
T12 << 1462306761.61173701 Symmetrize density (0.00333s) stopped
T12 << 1462306765.36012101 Density initialize from wavefunctions (585.63002s) stopped
T12 >> 1462306765.36049891 Hamiltonian (2467.22178s) started
T12 >> 1462306765.36052704 vbar (1.13141s) started
T12 << 1462306765.38899589 vbar (1.15988s) stopped
T12 >> 1462306765.38911295 XC 3D grid (1173.45802s) started
T12 >> 1462306765.91770101 van der Waals (1133.78103s) started
T12 >> 1462306766.03022790 semilocal (237.56981s) started
T12 << 1462306771.84131908 semilocal (243.38090s) stopped
T12 >> 1462306771.91426706 redistribute (132.71546s) started
T12 << 1462306772.88760209 redistribute (133.68880s) stopped
T12 >> 1462306772.88765311 libvdwxc nonlocal (755.63652s) started
T12 << 1462306791.02638292 libvdwxc nonlocal (773.77525s) stopped
T12 >> 1462306791.02644205 redistribute (133.68883s) started
T12 << 1462306792.70393109 redistribute (135.36632s) stopped
T12 << 1462306792.70490408 van der Waals (1160.56824s) stopped
T12 << 1462306793.17248511 XC 3D grid (1201.24139s) stopped
T12 >> 1462306793.17252707 Poisson (618.18806s) started
T12 << 1462306803.18483210 Poisson (628.20036s) stopped
T12 >> 1462306803.18491006 Hartree integrate/restrict (15.17808s) started
T12 << 1462306803.23091412 Hartree integrate/restrict (15.22408s) stopped
T12 >> 1462306803.23097110 Hartree integrate/restrict (15.22412s) started
T12 << 1462306803.54632306 Hartree integrate/restrict (15.53947s) stopped
T12 >> 1462306803.54640603 Atomic (97.03357s) started
T12 >> 1462306803.54855800 XC Correction (0.00156s) started
T12 << 1462306803.54858994 XC Correction (0.00159s) stopped
T12 << 1462306805.92700911 Atomic (99.41417s) stopped
T12 >> 1462306805.92717791 Communicate (562.19002s) started
T12 << 1462306823.45042896 Communicate (579.71327s) stopped
T12 << 1462306823.45046711 Hamiltonian (2525.31175s) stopped
T12 << 1462306823.45048094 LCAO WFS Initialize (3111.86786s) stopped
T12 << 1462306823.46265292 Initialization (5192.51772s) stopped
T12 >> 1462306823.48861098 SCF-cycle (70395.18476s) started
T12 >> 1462306823.48864388 LCAO eigensolver (35374.84400s) started
T12 >> 1462306823.48865700 Potential matrix (530.95417s) started
T12 << 1462306824.45778394 Potential matrix (531.92330s) stopped
T12 >> 1462306824.45785809 DistributedAtomicCorrection (217.97795s) started
T12 << 1462306824.88802409 DistributedAtomicCorrection (218.40811s) stopped
T12 >> 1462306824.88807011 Distribute overlap matrix (4015.47280s) started
T12 >> 1462306824.88810205 blocked summation (2243.05707s) started
T12 << 1462306829.25032902 blocked summation (2247.41930s) stopped
T12 >> 1462306829.25940800 Scalapack redistribute (1767.03631s) started
T12 << 1462306832.68771601 Scalapack redistribute (1770.46461s) stopped
T12 << 1462306832.68781710 Distribute overlap matrix (4023.27255s) stopped
T12 >> 1462306832.69197202 Blacs Orbital Layouts (29641.99572s) started
T12 >> 1462306832.70007896 General diagonalize (29521.12203s) started
T12 << 1462306888.43239093 General diagonalize (29576.85434s) stopped
T12 >> 1462306888.43244410 Redistribute coefs (4.46978s) started
T12 << 1462306888.44179606 Redistribute coefs (4.47913s) stopped
T12 >> 1462306888.44185090 Send coefs to domains (111.40833s) started
T12 << 1462306888.53691602 Send coefs to domains (111.50339s) stopped
T12 << 1462306888.53715801 Blacs Orbital Layouts (29697.84091s) stopped
T12 >> 1462306888.53718901 Calculate projections (965.75397s) started
T12 << 1462306890.31707692 Calculate projections (967.53386s) stopped
T12 << 1462306890.31732988 LCAO eigensolver (35441.67268s) stopped
T12 >> 1462306893.50740409 Density (8413.91467s) started
T12 >> 1462306893.50742006 Pseudo density (6502.12053s) started
T12 >> 1462306893.51015401 Calculate density matrix (6108.11866s) started
T12 << 1462306905.17379308 Calculate density matrix (6119.78230s) stopped
T12 >> 1462306905.17385292 Construct density (383.69647s) started
T12 << 1462306905.94343591 Construct density (384.46605s) stopped
T12 >> 1462306905.95955491 Symmetrize density (0.04378s) started
T12 << 1462306905.95963311 Symmetrize density (0.04386s) stopped
T12 << 1462306905.96217203 Pseudo density (6514.57528s) stopped
T12 >> 1462306905.96224093 Atomic density matrices (1685.53731s) started
T12 << 1462306909.35836792 Atomic density matrices (1688.93343s) stopped
T12 >> 1462306909.35840511 Multipole moments (5.91753s) started
T12 << 1462306909.37274504 Multipole moments (5.93187s) stopped
T12 >> 1462306909.37277007 Normalize (3.47156s) started
T12 << 1462306909.37955308 Normalize (3.47835s) stopped
T12 >> 1462306909.37960696 Mix (216.82765s) started
T12 << 1462306909.72662997 Mix (217.17467s) stopped
T12 << 1462306909.72668505 Density (8430.13395s) stopped
T12 >> 1462306909.72671390 Hamiltonian (24857.88914s) started
T12 >> 1462306909.72672892 vbar (13.78236s) started
T12 << 1462306909.74939799 vbar (13.80502s) stopped
T12 >> 1462306909.74949408 XC 3D grid (14496.78388s) started
T12 >> 1462306910.28722501 van der Waals (14003.27823s) started
T12 >> 1462306910.40352607 semilocal (2954.77040s) started
T12 << 1462306916.20160890 semilocal (2960.56849s) stopped
T12 >> 1462306916.27272892 redistribute (1515.31155s) started
T12 << 1462306917.28037310 redistribute (1516.31919s) stopped
T12 >> 1462306917.28044510 libvdwxc nonlocal (9435.50874s) started
T12 << 1462306935.03026891 libvdwxc nonlocal (9453.25856s) stopped
T12 >> 1462306935.03035307 redistribute (1516.31925s) started
T12 << 1462306937.09876990 redistribute (1518.38767s) stopped
T12 << 1462306937.10011911 van der Waals (14030.09113s) stopped
T12 << 1462306937.56004691 XC 3D grid (14524.59443s) stopped
T12 >> 1462306937.56009412 Poisson (3112.06902s) started
T12 << 1462306941.88662100 Poisson (3116.39554s) stopped
T12 >> 1462306941.88673210 Hartree integrate/restrict (189.74608s) started
T12 << 1462306941.92441010 Hartree integrate/restrict (189.78376s) stopped
T12 >> 1462306941.92449307 Hartree integrate/restrict (189.78382s) started
T12 << 1462306942.25108194 Hartree integrate/restrict (190.11041s) stopped
T12 >> 1462306942.25117898 Atomic (1224.27110s) started
T12 >> 1462306942.25415301 XC Correction (0.01688s) started
T12 << 1462306942.25417995 XC Correction (0.01691s) stopped
T12 << 1462306944.63510299 Atomic (1226.65502s) stopped
T12 >> 1462306944.63530302 Communicate (5821.02927s) started
T12 << 1462306962.20495296 Communicate (5838.59892s) stopped
T12 << 1462306962.20499492 Hamiltonian (24910.36742s) stopped
T12 >> 1462306962.20504904 LCAO eigensolver (35441.67270s) started
T12 >> 1462306962.20506310 Potential matrix (531.92334s) started
T12 << 1462306963.16584897 Potential matrix (532.88413s) stopped
T12 >> 1462306963.16592503 DistributedAtomicCorrection (218.40815s) started
T12 << 1462306963.59228301 DistributedAtomicCorrection (218.83451s) stopped
T12 >> 1462306963.59233093 Distribute overlap matrix (4023.27256s) started
T12 >> 1462306963.59236693 blocked summation (2247.41935s) started
T12 << 1462306968.03858805 blocked summation (2251.86557s) stopped
T12 >> 1462306968.04756498 Scalapack redistribute (1770.46467s) started
T12 << 1462306971.47415709 Scalapack redistribute (1773.89127s) stopped
T12 << 1462306971.47425699 Distribute overlap matrix (4031.15449s) stopped
T12 >> 1462306971.47899103 Blacs Orbital Layouts (29697.84093s) started
T12 >> 1462306971.48753810 General diagonalize (29576.85439s) started
T12 << 1462307027.34078598 General diagonalize (29632.70763s) stopped
T12 >> 1462307027.34084296 Redistribute coefs (4.47917s) started
T12 << 1462307027.35002303 Redistribute coefs (4.48835s) stopped
T12 >> 1462307027.35007191 Send coefs to domains (111.50343s) started
T12 << 1462307027.45946097 Send coefs to domains (111.61282s) stopped
T12 << 1462307027.45969009 Blacs Orbital Layouts (29753.82163s) stopped
T12 >> 1462307027.45971990 Calculate projections (967.53392s) started
T12 << 1462307029.23931003 Calculate projections (969.31351s) stopped
T12 << 1462307029.23951793 LCAO eigensolver (35508.70717s) stopped
T12 >> 1462307032.42484188 Density (8430.13397s) started
T12 >> 1462307032.42485905 Pseudo density (6514.57534s) started
T12 >> 1462307032.42749906 Calculate density matrix (6119.78234s) started
T12 << 1462307044.14107203 Calculate density matrix (6131.49591s) stopped
T12 >> 1462307044.14112902 Construct density (384.46611s) started
T12 << 1462307044.91153693 Construct density (385.23652s) stopped
T12 >> 1462307044.92904305 Symmetrize density (0.04388s) started
T12 << 1462307044.92912197 Symmetrize density (0.04396s) stopped
T12 << 1462307044.93159389 Pseudo density (6527.08207s) stopped
T12 >> 1462307044.93166208 Atomic density matrices (1688.93346s) started
T12 << 1462307048.35685396 Atomic density matrices (1692.35866s) stopped
T12 >> 1462307048.35689092 Multipole moments (5.93188s) started
T12 << 1462307048.37092090 Multipole moments (5.94591s) stopped
T12 >> 1462307048.37094593 Normalize (3.47838s) started
T12 << 1462307048.37768197 Normalize (3.48512s) stopped
T12 >> 1462307048.37772989 Mix (217.17473s) started
T12 << 1462307048.74583912 Mix (217.54283s) stopped
T12 << 1462307048.74589896 Density (8446.45502s) stopped
T12 >> 1462307048.74593210 Hamiltonian (24910.36746s) started
T12 >> 1462307048.74594688 vbar (13.80508s) started
T12 << 1462307048.77418590 vbar (13.83332s) stopped
T12 >> 1462307048.77429795 XC 3D grid (14524.59446s) started
T12 >> 1462307049.26282811 van der Waals (14030.09117s) started
T12 >> 1462307049.37688088 semilocal (2960.56855s) started
T12 << 1462307055.17605996 semilocal (2966.36772s) stopped
T12 >> 1462307055.24958611 redistribute (1518.38774s) started
T12 << 1462307056.23059893 redistribute (1519.36875s) stopped
T12 >> 1462307056.23066998 libvdwxc nonlocal (9453.25863s) started
T12 << 1462307073.99969506 libvdwxc nonlocal (9471.02765s) stopped
T12 >> 1462307073.99977303 redistribute (1519.36881s) started
T12 << 1462307076.76659608 redistribute (1522.13563s) stopped
T12 << 1462307076.76785111 van der Waals (14057.59620s) stopped
T12 << 1462307077.23122311 XC 3D grid (14553.05139s) stopped
T12 >> 1462307077.23129392 Poisson (3116.39562s) started
T12 << 1462307083.02928495 Poisson (3122.19361s) stopped
T12 >> 1462307083.02936602 Hartree integrate/restrict (190.11045s) started
T12 << 1462307083.06900311 Hartree integrate/restrict (190.15009s) stopped
T12 >> 1462307083.06908393 Hartree integrate/restrict (190.15014s) started
T12 << 1462307083.43462110 Hartree integrate/restrict (190.51568s) stopped
T12 >> 1462307083.43473792 Atomic (1226.65505s) started
T12 >> 1462307083.43733692 XC Correction (0.01693s) started
T12 << 1462307083.43737602 XC Correction (0.01697s) stopped
T12 << 1462307085.81099892 Atomic (1229.03131s) stopped
T12 >> 1462307085.81119394 Communicate (5838.59895s) started
T12 << 1462307103.47665596 Communicate (5856.26441s) stopped
T12 << 1462307103.47669697 Hamiltonian (24965.09822s) stopped
T12 >> 1462307103.47672510 LCAO eigensolver (35508.70719s) started
T12 >> 1462307103.47673893 Potential matrix (532.88417s) started
T12 << 1462307104.45027804 Potential matrix (533.85771s) stopped
T12 >> 1462307104.45035005 DistributedAtomicCorrection (218.83455s) started
T12 << 1462307104.87904000 DistributedAtomicCorrection (219.26324s) stopped
T12 >> 1462307104.87909007 Distribute overlap matrix (4031.15450s) started
T12 >> 1462307104.87912703 blocked summation (2251.86561s) started
T12 << 1462307109.29873109 blocked summation (2256.28521s) stopped
T12 >> 1462307109.30893493 Scalapack redistribute (1773.89132s) started
T12 << 1462307112.75121903 Scalapack redistribute (1777.33361s) stopped
T12 << 1462307112.75130796 Distribute overlap matrix (4039.02672s) stopped
T12 >> 1462307112.75612402 Blacs Orbital Layouts (29753.82164s) started
T12 >> 1462307112.76472807 General diagonalize (29632.70768s) started
T12 << 1462307167.82574201 General diagonalize (29687.76869s) stopped
T12 >> 1462307167.82579494 Redistribute coefs (4.48839s) started
T12 << 1462307167.83497691 Redistribute coefs (4.49757s) stopped
T12 >> 1462307167.83502507 Send coefs to domains (111.61286s) started
T12 << 1462307167.95157003 Send coefs to domains (111.72940s) stopped
T12 << 1462307167.95181704 Blacs Orbital Layouts (29809.01734s) stopped
T12 >> 1462307167.95184898 Calculate projections (969.31356s) started
T12 << 1462307169.73225403 Calculate projections (971.09397s) stopped
T12 << 1462307169.73265505 LCAO eigensolver (35574.96312s) stopped
T12 >> 1462307172.91511512 Density (8446.45504s) started
T12 >> 1462307172.91513109 Pseudo density (6527.08213s) started
T12 >> 1462307172.91777802 Calculate density matrix (6131.49595s) started
T12 << 1462307184.57313490 Calculate density matrix (6143.15130s) stopped
T12 >> 1462307184.57319093 Construct density (385.23657s) started
T12 << 1462307185.34145403 Construct density (386.00484s) stopped
T12 >> 1462307185.35774708 Symmetrize density (0.04398s) started
T12 << 1462307185.35782504 Symmetrize density (0.04405s) stopped
T12 << 1462307185.36031103 Pseudo density (6539.52731s) stopped
T12 >> 1462307185.36037898 Atomic density matrices (1692.35868s) started
T12 << 1462307188.85425305 Atomic density matrices (1695.85256s) stopped
T12 >> 1462307188.85428905 Multipole moments (5.94593s) started
T12 << 1462307188.86822391 Multipole moments (5.95986s) stopped
T12 >> 1462307188.86824894 Normalize (3.48515s) started
T12 << 1462307188.87474799 Normalize (3.49165s) stopped
T12 >> 1462307188.87479591 Mix (217.54289s) started
T12 << 1462307189.31560612 Mix (217.98370s) stopped
T12 << 1462307189.31564212 Density (8462.85556s) stopped
T12 >> 1462307189.31566906 Hamiltonian (24965.09824s) started
T12 >> 1462307189.31568408 vbar (13.83338s) started
T12 << 1462307189.34337306 vbar (13.86107s) stopped
T12 >> 1462307189.34349895 XC 3D grid (14553.05145s) started
T12 >> 1462307189.80389690 van der Waals (14057.59623s) started
T12 >> 1462307189.91951108 semilocal (2966.36779s) started
T12 << 1462307195.73072600 semilocal (2972.17900s) stopped
T12 >> 1462307195.80492902 redistribute (1522.13569s) started
T12 << 1462307196.79548597 redistribute (1523.12625s) stopped
T12 >> 1462307196.79553795 libvdwxc nonlocal (9471.02771s) started
T12 << 1462307214.78648400 libvdwxc nonlocal (9489.01866s) stopped
T12 >> 1462307214.78656602 redistribute (1523.12629s) started
T12 << 1462307216.77915311 redistribute (1525.11887s) stopped
T12 << 1462307216.78021789 van der Waals (14084.57255s) stopped
T12 << 1462307217.24130607 XC 3D grid (14580.94925s) stopped
T12 >> 1462307217.24136090 Poisson (3122.19367s) started
T12 << 1462307223.24770999 Poisson (3128.20002s) stopped
T12 >> 1462307223.24781895 Hartree integrate/restrict (190.51573s) started
T12 << 1462307223.28889799 Hartree integrate/restrict (190.55681s) stopped
T12 >> 1462307223.28897595 Hartree integrate/restrict (190.55686s) started
T12 << 1462307223.62933302 Hartree integrate/restrict (190.89721s) stopped
T12 >> 1462307223.62951207 Atomic (1229.03134s) started
T12 >> 1462307223.63227510 XC Correction (0.01698s) started
T12 << 1462307223.63229704 XC Correction (0.01701s) stopped
T12 << 1462307226.00020504 Atomic (1231.40203s) stopped
T12 >> 1462307226.00039411 Communicate (5856.26444s) started
T12 << 1462307243.53560400 Communicate (5873.79965s) stopped
T12 << 1462307243.53564906 Hamiltonian (25019.31822s) stopped
T12 >> 1462307243.53567600 LCAO eigensolver (35574.96314s) started
T12 >> 1462307243.53569007 Potential matrix (533.85774s) started
T12 << 1462307244.51224494 Potential matrix (534.83430s) stopped
T12 >> 1462307244.51234102 DistributedAtomicCorrection (219.26328s) started
T12 << 1462307244.94623089 DistributedAtomicCorrection (219.69717s) stopped
T12 >> 1462307244.94628000 Distribute overlap matrix (4039.02673s) started
T12 >> 1462307244.94631600 blocked summation (2256.28525s) started
T12 << 1462307249.35427999 blocked summation (2260.69321s) stopped
T12 >> 1462307249.36397696 Scalapack redistribute (1777.33365s) started
T12 << 1462307252.85906696 Scalapack redistribute (1780.82874s) stopped
T12 << 1462307252.85918808 Distribute overlap matrix (4046.93964s) stopped
T12 >> 1462307252.86360097 Blacs Orbital Layouts (29809.01736s) started
T12 >> 1462307252.87265110 General diagonalize (29687.76874s) started
T12 << 1462307305.63356900 General diagonalize (29740.52966s) stopped
T12 >> 1462307305.63362288 Redistribute coefs (4.49761s) started
T12 << 1462307305.64297605 Redistribute coefs (4.50696s) stopped
T12 >> 1462307305.64302492 Send coefs to domains (111.72944s) started
T12 << 1462307306.39729810 Send coefs to domains (112.48372s) stopped
T12 << 1462307306.39761710 Blacs Orbital Layouts (29862.55138s) stopped
T12 >> 1462307306.39764500 Calculate projections (971.09402s) started
T12 << 1462307308.16600609 Calculate projections (972.86238s) stopped
T12 << 1462307308.16648006 LCAO eigensolver (35639.59395s) stopped
T12 >> 1462307311.35420108 Density (8462.85558s) started
T12 >> 1462307311.35421610 Pseudo density (6539.52736s) started
T12 >> 1462307311.35694289 Calculate density matrix (6143.15134s) started
T12 << 1462307323.05495000 Calculate density matrix (6154.84935s) stopped
T12 >> 1462307323.05499601 Construct density (386.00490s) started
T12 << 1462307323.82273293 Construct density (386.77263s) stopped
T12 >> 1462307323.83661699 Symmetrize density (0.04407s) started
T12 << 1462307323.83668995 Symmetrize density (0.04414s) stopped
T12 << 1462307323.83880210 Pseudo density (6552.01195s) stopped
T12 >> 1462307323.83885908 Atomic density matrices (1695.85259s) started
T12 << 1462307327.27236104 Atomic density matrices (1699.28609s) stopped
T12 >> 1462307327.27239299 Multipole moments (5.95988s) started
T12 << 1462307327.28691697 Multipole moments (5.97441s) stopped
T12 >> 1462307327.28694797 Normalize (3.49169s) started
T12 << 1462307327.29314899 Normalize (3.49789s) stopped
T12 >> 1462307327.29325008 Mix (217.98374s) started
T12 << 1462307327.71164489 Mix (218.40213s) stopped
T12 << 1462307327.71175408 Density (8479.21313s) stopped
T12 >> 1462307327.71179605 Hamiltonian (25019.31823s) started
T12 >> 1462307327.71181989 vbar (13.86114s) started
T12 << 1462307327.73986506 vbar (13.88918s) stopped
T12 >> 1462307327.73995304 XC 3D grid (14580.94930s) started
T12 >> 1462307328.29424000 van der Waals (14084.57257s) started
T12 >> 1462307328.40406203 semilocal (2972.17906s) started
T12 << 1462307334.21734691 semilocal (2977.99234s) stopped
T12 >> 1462307334.30064511 redistribute (1525.11893s) started
T12 << 1462307335.30956602 redistribute (1526.12785s) stopped
T12 >> 1462307335.30960894 libvdwxc nonlocal (9489.01872s) started
T12 << 1462307353.55490303 libvdwxc nonlocal (9507.26401s) stopped
T12 >> 1462307353.55496502 redistribute (1526.12788s) started
T12 << 1462307355.39781690 redistribute (1527.97074s) stopped
T12 << 1462307355.39917588 van der Waals (14111.67751s) stopped
T12 << 1462307355.86416698 XC 3D grid (14609.07351s) stopped
T12 >> 1462307355.86421108 Poisson (3128.20011s) started
T12 << 1462307360.30017090 Poisson (3132.63607s) stopped
T12 >> 1462307360.30025697 Hartree integrate/restrict (190.89730s) started
T12 << 1462307360.34278488 Hartree integrate/restrict (190.93983s) stopped
T12 >> 1462307360.34283209 Hartree integrate/restrict (190.93986s) started
T12 << 1462307360.66618299 Hartree integrate/restrict (191.26321s) stopped
T12 >> 1462307360.66626191 Atomic (1231.40206s) started
T12 >> 1462307360.66802311 XC Correction (0.01702s) started
T12 << 1462307360.66804504 XC Correction (0.01704s) stopped
T12 << 1462307363.05887794 Atomic (1233.79467s) stopped
T12 >> 1462307363.05904698 Communicate (5873.79968s) started
T12 << 1462307379.67595696 Communicate (5890.41659s) stopped
T12 << 1462307379.67599010 Hamiltonian (25071.28242s) stopped
T12 >> 1462307379.67601395 LCAO eigensolver (35639.59397s) started
T12 >> 1462307379.67602706 Potential matrix (534.83435s) started
T12 << 1462307380.65182400 Potential matrix (535.81015s) stopped
T12 >> 1462307380.65190911 DistributedAtomicCorrection (219.69721s) started
T12 << 1462307381.08326411 DistributedAtomicCorrection (220.12856s) stopped
T12 >> 1462307381.08331108 Distribute overlap matrix (4046.93966s) started
T12 >> 1462307381.08334303 blocked summation (2260.69325s) started
T12 << 1462307385.50809407 blocked summation (2265.11800s) stopped
T12 >> 1462307385.51774502 Scalapack redistribute (1780.82881s) started
T12 << 1462307389.07893205 Scalapack redistribute (1784.38999s) stopped
T12 << 1462307389.07904506 Distribute overlap matrix (4054.93539s) stopped
T12 >> 1462307389.08345509 Blacs Orbital Layouts (29862.55140s) started
T12 >> 1462307389.09150195 General diagonalize (29740.52970s) started
T12 << 1462307441.84972906 General diagonalize (29793.28793s) stopped
T12 >> 1462307441.84977508 Redistribute coefs (4.50700s) started
T12 << 1462307441.85925102 Redistribute coefs (4.51648s) stopped
T12 >> 1462307441.85929298 Send coefs to domains (112.48375s) started
T12 << 1462307441.98147988 Send coefs to domains (112.60594s) stopped
T12 << 1462307441.98167896 Blacs Orbital Layouts (29915.44962s) stopped
T12 >> 1462307441.98170590 Calculate projections (972.86243s) started
T12 << 1462307443.75256300 Calculate projections (974.63329s) stopped
T12 << 1462307443.75295210 LCAO eigensolver (35703.67090s) stopped
T12 >> 1462307446.95517492 Density (8479.21315s) started
T12 >> 1462307446.95518899 Pseudo density (6552.01199s) started
T12 >> 1462307446.95769095 Calculate density matrix (6154.84938s) started
T12 << 1462307458.67541409 Calculate density matrix (6166.56710s) stopped
T12 >> 1462307458.67546105 Construct density (386.77268s) started
T12 << 1462307459.44639206 Construct density (387.54361s) stopped
T12 >> 1462307459.46126390 Symmetrize density (0.04416s) started
T12 << 1462307459.46132994 Symmetrize density (0.04423s) stopped
T12 << 1462307459.46343708 Pseudo density (6564.52024s) stopped
T12 >> 1462307459.46349502 Atomic density matrices (1699.28611s) started
T12 << 1462307462.89503598 Atomic density matrices (1702.71765s) stopped
T12 >> 1462307462.89506793 Multipole moments (5.97442s) started
T12 << 1462307462.90956211 Multipole moments (5.98891s) stopped
T12 >> 1462307462.90959501 Normalize (3.49798s) started
T12 << 1462307462.91567492 Normalize (3.50406s) stopped
T12 >> 1462307462.91576290 Mix (218.40224s) started
T12 << 1462307463.34422708 Mix (218.83070s) stopped
T12 << 1462307463.34426403 Density (8495.60224s) stopped
T12 >> 1462307463.34429502 Hamiltonian (25071.28244s) started
T12 >> 1462307463.34431195 vbar (13.88924s) started
T12 << 1462307463.37098193 vbar (13.91591s) stopped
T12 >> 1462307463.37108994 XC 3D grid (14609.07354s) started
T12 >> 1462307463.88874602 van der Waals (14111.67755s) started
T12 >> 1462307463.99842501 semilocal (2977.99247s) started
T12 << 1462307469.85885310 semilocal (2983.85290s) stopped
T12 >> 1462307469.93663406 redistribute (1527.97081s) started
T12 << 1462307470.89627194 redistribute (1528.93045s) stopped
T12 >> 1462307470.89633799 libvdwxc nonlocal (9507.26406s) started
T12 << 1462307489.26205897 libvdwxc nonlocal (9525.62978s) stopped
T12 >> 1462307489.26212406 redistribute (1528.93050s) started
T12 << 1462307490.98687696 redistribute (1530.65525s) stopped
T12 << 1462307490.98805404 van der Waals (14138.77685s) stopped
T12 << 1462307491.45235801 XC 3D grid (14637.15481s) stopped
T12 >> 1462307491.45241308 Poisson (3132.63613s) started
T12 << 1462307497.21761799 Poisson (3138.40134s) stopped
T12 >> 1462307497.21769309 Hartree integrate/restrict (191.26325s) started
T12 << 1462307497.26045394 Hartree integrate/restrict (191.30601s) stopped
T12 >> 1462307497.26052904 Hartree integrate/restrict (191.30606s) started
T12 << 1462307497.58111191 Hartree integrate/restrict (191.62664s) stopped
T12 >> 1462307497.58120704 Atomic (1233.79470s) started
T12 >> 1462307497.58294892 XC Correction (0.01705s) started
T12 << 1462307497.58296394 XC Correction (0.01707s) stopped
T12 << 1462307499.96225595 Atomic (1236.17575s) stopped
T12 >> 1462307499.96241903 Communicate (5890.41661s) started
T12 << 1462307515.93225908 Communicate (5906.38645s) stopped
T12 << 1462307515.93229604 Hamiltonian (25123.87044s) stopped
T12 >> 1462307515.93232107 LCAO eigensolver (35703.67092s) started
T12 >> 1462307515.93233395 Potential matrix (535.81020s) started
T12 << 1462307516.90023398 Potential matrix (536.77810s) stopped
T12 >> 1462307516.90030193 DistributedAtomicCorrection (220.12860s) started
T12 << 1462307517.33978200 DistributedAtomicCorrection (220.56808s) stopped
T12 >> 1462307517.33984900 Distribute overlap matrix (4054.93540s) started
T12 >> 1462307517.33987093 blocked summation (2265.11805s) started
T12 << 1462307521.71638393 blocked summation (2269.49456s) stopped
T12 >> 1462307521.72590303 Scalapack redistribute (1784.39006s) started
T12 << 1462307525.22590995 Scalapack redistribute (1787.89007s) stopped
T12 << 1462307525.22601700 Distribute overlap matrix (4062.82157s) stopped
T12 >> 1462307525.23011804 Blacs Orbital Layouts (29915.44964s) started
T12 >> 1462307525.23837495 General diagonalize (29793.28796s) started
T12 << 1462307580.95877004 General diagonalize (29849.00836s) stopped
T12 >> 1462307580.95882106 Redistribute coefs (4.51651s) started
T12 << 1462307580.96753311 Redistribute coefs (4.52522s) stopped
T12 >> 1462307580.96757293 Send coefs to domains (112.60597s) started
T12 << 1462307581.38675094 Send coefs to domains (113.02515s) stopped
T12 << 1462307581.38699198 Blacs Orbital Layouts (29971.60651s) stopped
T12 >> 1462307581.38701892 Calculate projections (974.63334s) started
T12 << 1462307583.15506911 Calculate projections (976.40139s) stopped
T12 << 1462307583.15542006 LCAO eigensolver (35770.89402s) stopped
T12 >> 1462307586.35766697 Density (8495.60225s) started
T12 >> 1462307586.35768199 Pseudo density (6564.52029s) started
T12 >> 1462307586.36024094 Calculate density matrix (6166.56714s) started
T12 << 1462307598.02532005 Calculate density matrix (6178.23221s) stopped
T12 >> 1462307598.02536702 Construct density (387.54366s) started
T12 << 1462307598.79332209 Construct density (388.31162s) stopped
T12 >> 1462307598.80747509 Symmetrize density (0.04424s) started
T12 << 1462307598.80753994 Symmetrize density (0.04431s) stopped
T12 << 1462307598.80964589 Pseudo density (6576.97225s) stopped
T12 >> 1462307598.80970502 Atomic density matrices (1702.71768s) started
T12 << 1462307602.24059010 Atomic density matrices (1706.14857s) stopped
T12 >> 1462307602.24062395 Multipole moments (5.98893s) started
T12 << 1462307602.25503898 Multipole moments (6.00335s) stopped
T12 >> 1462307602.25506997 Normalize (3.50413s) started
T12 << 1462307602.26116490 Normalize (3.51022s) stopped
T12 >> 1462307602.26126790 Mix (218.83074s) started
T12 << 1462307602.67073107 Mix (219.24020s) stopped
T12 << 1462307602.67081690 Density (8511.91540s) stopped
T12 >> 1462307602.67084599 Hamiltonian (25123.87045s) started
T12 >> 1462307602.67086101 vbar (13.91597s) started
T12 << 1462307602.69658804 vbar (13.94170s) stopped
T12 >> 1462307602.69668698 XC 3D grid (14637.15486s) started
T12 >> 1462307603.23590207 van der Waals (14138.77688s) started
T12 >> 1462307603.34500790 semilocal (2983.85305s) started
T12 << 1462307609.11035490 semilocal (2989.61839s) stopped
T12 >> 1462307609.18850589 redistribute (1530.65531s) started
T12 << 1462307610.21508002 redistribute (1531.68188s) stopped
T12 >> 1462307610.21512508 libvdwxc nonlocal (9525.62983s) started
T12 << 1462307628.71605897 libvdwxc nonlocal (9544.13077s) stopped
T12 >> 1462307628.71612096 redistribute (1531.68192s) started
T12 << 1462307631.24287391 redistribute (1534.20867s) stopped
T12 << 1462307631.24403906 van der Waals (14166.78501s) stopped
T12 << 1462307631.70860410 XC 3D grid (14666.16677s) stopped
T12 >> 1462307631.70864606 Poisson (3138.40139s) started
T12 << 1462307636.07102895 Poisson (3142.76378s) stopped
T12 >> 1462307636.07111406 Hartree integrate/restrict (191.62669s) started
T12 << 1462307636.11227489 Hartree integrate/restrict (191.66785s) stopped
T12 >> 1462307636.11235499 Hartree integrate/restrict (191.66791s) started
T12 << 1462307636.54282808 Hartree integrate/restrict (192.09838s) stopped
T12 >> 1462307636.54291892 Atomic (1236.17577s) started
T12 >> 1462307636.54468989 XC Correction (0.01708s) started
T12 << 1462307636.54470396 XC Correction (0.01709s) stopped
T12 << 1462307638.92656803 Atomic (1238.55942s) stopped
T12 >> 1462307638.92672706 Communicate (5906.38647s) started
T12 << 1462307654.92140293 Communicate (5922.38115s) stopped
T12 << 1462307654.92143512 Hamiltonian (25176.12104s) stopped
T12 >> 1462307654.92145896 LCAO eigensolver (35770.89404s) started
T12 >> 1462307654.92147207 Potential matrix (536.77814s) started
T12 << 1462307655.89331007 Potential matrix (537.74998s) stopped
T12 >> 1462307655.89338398 DistributedAtomicCorrection (220.56812s) started
T12 << 1462307656.32801509 DistributedAtomicCorrection (221.00275s) stopped
T12 >> 1462307656.32807899 Distribute overlap matrix (4062.82158s) started
T12 >> 1462307656.32810092 blocked summation (2269.49460s) started
T12 << 1462307660.75013304 blocked summation (2273.91663s) stopped
T12 >> 1462307660.75979900 Scalapack redistribute (1787.89013s) started
T12 << 1462307664.26305103 Scalapack redistribute (1791.39338s) stopped
T12 << 1462307664.26315093 Distribute overlap matrix (4070.75666s) stopped
T12 >> 1462307664.26735210 Blacs Orbital Layouts (29971.60653s) started
T12 >> 1462307664.27557993 General diagonalize (29849.00840s) started
T12 << 1462307717.48813200 General diagonalize (29902.22095s) stopped
T12 >> 1462307717.48817897 Redistribute coefs (4.52525s) started
T12 << 1462307717.49714994 Redistribute coefs (4.53422s) stopped
T12 >> 1462307717.49719000 Send coefs to domains (113.02518s) started
T12 << 1462307717.75430608 Send coefs to domains (113.28230s) stopped
T12 << 1462307717.75454497 Blacs Orbital Layouts (30025.09372s) stopped
T12 >> 1462307717.75457311 Calculate projections (976.40144s) started
T12 << 1462307719.52586102 Calculate projections (978.17273s) stopped
T12 << 1462307719.52621102 LCAO eigensolver (35835.49879s) stopped
T12 >> 1462307722.71557093 Density (8511.91542s) started
T12 >> 1462307722.71558499 Pseudo density (6576.97230s) started
T12 >> 1462307722.71796489 Calculate density matrix (6178.23225s) started
T12 << 1462307734.45027089 Calculate density matrix (6189.96455s) stopped
T12 >> 1462307734.45031905 Construct density (388.31167s) started
T12 << 1462307735.21882105 Construct density (389.08017s) stopped
T12 >> 1462307735.23294711 Symmetrize density (0.04432s) started
T12 << 1462307735.23300290 Symmetrize density (0.04438s) stopped
T12 << 1462307735.23512197 Pseudo density (6589.49184s) stopped
T12 >> 1462307735.23517990 Atomic density matrices (1706.14859s) started
T12 << 1462307738.61475897 Atomic density matrices (1709.52817s) stopped
T12 >> 1462307738.61479497 Multipole moments (6.00336s) started
T12 << 1462307738.62875509 Multipole moments (6.01732s) stopped
T12 >> 1462307738.62880802 Normalize (3.51031s) started
T12 << 1462307738.63492489 Normalize (3.51642s) stopped
T12 >> 1462307738.63497591 Mix (219.24028s) started
T12 << 1462307739.05118108 Mix (219.65649s) stopped
T12 << 1462307739.05125999 Density (8528.25111s) stopped
T12 >> 1462307739.05129099 Hamiltonian (25176.12105s) started
T12 >> 1462307739.05130696 vbar (13.94175s) started
T12 << 1462307739.07457709 vbar (13.96502s) stopped
T12 >> 1462307739.07465196 XC 3D grid (14666.16680s) started
T12 >> 1462307739.57757211 van der Waals (14166.78504s) started
T12 >> 1462307739.68873811 semilocal (2989.61851s) started
T12 << 1462307745.46350193 semilocal (2995.39328s) stopped
T12 >> 1462307745.54073596 redistribute (1534.20873s) started
T12 << 1462307746.52982593 redistribute (1535.19782s) stopped
T12 >> 1462307746.52986908 libvdwxc nonlocal (9544.13081s) started
T12 << 1462307764.92126489 libvdwxc nonlocal (9562.52221s) stopped
T12 >> 1462307764.92132902 redistribute (1535.19785s) started
T12 << 1462307767.37234902 redistribute (1537.64887s) stopped
T12 << 1462307767.37348294 van der Waals (14194.58095s) stopped
T12 << 1462307767.83473897 XC 3D grid (14694.92689s) stopped
T12 >> 1462307767.83481097 Poisson (3142.76384s) started
T12 << 1462307772.15459394 Poisson (3147.08362s) stopped
T12 >> 1462307772.15471411 Hartree integrate/restrict (192.09843s) started
T12 << 1462307772.19628906 Hartree integrate/restrict (192.14001s) stopped
T12 >> 1462307772.19638109 Hartree integrate/restrict (192.14007s) started
T12 << 1462307772.51467109 Hartree integrate/restrict (192.45836s) stopped
T12 >> 1462307772.51475310 Atomic (1238.55944s) started
T12 >> 1462307772.51645803 XC Correction (0.01710s) started
T12 << 1462307772.51647305 XC Correction (0.01712s) stopped
T12 << 1462307774.89497805 Atomic (1240.93967s) stopped
T12 >> 1462307774.89512897 Communicate (5922.38117s) started
T12 << 1462307790.84174299 Communicate (5938.32778s) stopped
T12 << 1462307790.84177995 Hamiltonian (25227.91154s) stopped
T12 >> 1462307790.84180808 LCAO eigensolver (35835.49881s) started
T12 >> 1462307790.84182191 Potential matrix (537.75002s) started
T12 << 1462307791.81505609 Potential matrix (538.72325s) stopped
T12 >> 1462307791.81513810 DistributedAtomicCorrection (221.00279s) started
T12 << 1462307792.25762510 DistributedAtomicCorrection (221.44528s) stopped
T12 >> 1462307792.25768805 Distribute overlap matrix (4070.75667s) started
T12 >> 1462307792.25770998 blocked summation (2273.91668s) started
T12 << 1462307796.72770691 blocked summation (2278.38668s) stopped
T12 >> 1462307796.73775291 Scalapack redistribute (1791.39344s) started
T12 << 1462307800.20657301 Scalapack redistribute (1794.86226s) stopped
T12 << 1462307800.20666695 Distribute overlap matrix (4078.70565s) stopped
T12 >> 1462307800.21092701 Blacs Orbital Layouts (30025.09374s) started
T12 >> 1462307800.21885395 General diagonalize (29902.22099s) started
T12 << 1462307855.53767991 General diagonalize (29957.53982s) stopped
T12 >> 1462307855.53772497 Redistribute coefs (4.53426s) started
T12 << 1462307855.54653406 Redistribute coefs (4.54306s) stopped
T12 >> 1462307855.54657412 Send coefs to domains (113.28233s) started
T12 << 1462307855.73137808 Send coefs to domains (113.46713s) stopped
T12 << 1462307855.73157310 Blacs Orbital Layouts (30080.61439s) stopped
T12 >> 1462307855.73159909 Calculate projections (978.17278s) started
T12 << 1462307857.50015092 Calculate projections (979.94133s) stopped
T12 << 1462307857.50049710 LCAO eigensolver (35902.15750s) stopped
T12 >> 1462307860.69869304 Density (8528.25112s) started
T12 >> 1462307860.69870806 Pseudo density (6589.49188s) started
T12 >> 1462307860.70112491 Calculate density matrix (6189.96459s) started
T12 << 1462307872.31914592 Calculate density matrix (6201.58261s) stopped
T12 >> 1462307872.31919503 Construct density (389.08022s) started
T12 << 1462307873.08721495 Construct density (389.84824s) stopped
T12 >> 1462307873.10243011 Symmetrize density (0.04440s) started
T12 << 1462307873.10249496 Symmetrize density (0.04446s) stopped
T12 << 1462307873.10460806 Pseudo density (6601.89778s) stopped
T12 >> 1462307873.10466695 Atomic density matrices (1709.52819s) started
T12 << 1462307876.55834699 Atomic density matrices (1712.98187s) stopped
T12 >> 1462307876.55838108 Multipole moments (6.01736s) started
T12 << 1462307876.57240510 Multipole moments (6.03138s) stopped
T12 >> 1462307876.57243705 Normalize (3.51646s) started
T12 << 1462307876.57858610 Normalize (3.52261s) stopped
T12 >> 1462307876.57866693 Mix (219.65657s) started
T12 << 1462307877.01270390 Mix (220.09060s) stopped
T12 << 1462307877.01275206 Density (8544.56518s) stopped
T12 >> 1462307877.01277804 Hamiltonian (25227.91156s) started
T12 >> 1462307877.01279593 vbar (13.96506s) started
T12 << 1462307877.03507400 vbar (13.98734s) stopped
T12 >> 1462307877.03519893 XC 3D grid (14694.92695s) started
T12 >> 1462307877.56674409 van der Waals (14194.58097s) started
T12 >> 1462307877.67721796 semilocal (2995.39336s) started
T12 << 1462307883.47733903 semilocal (3001.19348s) stopped
T12 >> 1462307883.55827689 redistribute (1537.64892s) started
T12 << 1462307884.54935789 redistribute (1538.64001s) stopped
T12 >> 1462307884.54940104 libvdwxc nonlocal (9562.52226s) started
T12 << 1462307902.87940502 libvdwxc nonlocal (9580.85226s) stopped
T12 >> 1462307902.87946796 redistribute (1538.64004s) started
T12 << 1462307905.37691092 redistribute (1541.13748s) stopped
T12 << 1462307905.37805700 van der Waals (14222.39229s) stopped
T12 << 1462307905.84436798 XC 3D grid (14723.73612s) stopped
T12 >> 1462307905.84440899 Poisson (3147.08372s) started
T12 << 1462307910.19801903 Poisson (3151.43733s) stopped
T12 >> 1462307910.19812608 Hartree integrate/restrict (192.45840s) started
T12 << 1462307910.23983693 Hartree integrate/restrict (192.50011s) stopped
T12 >> 1462307910.23988605 Hartree integrate/restrict (192.50014s) started
T12 << 1462307910.60140300 Hartree integrate/restrict (192.86166s) stopped
T12 >> 1462307910.60148001 Atomic (1240.93969s) started
T12 >> 1462307910.60317802 XC Correction (0.01713s) started
T12 << 1462307910.60319209 XC Correction (0.01714s) stopped
T12 << 1462307912.99147391 Atomic (1243.32968s) stopped
T12 >> 1462307912.99161911 Communicate (5938.32781s) started
T12 << 1462307929.01820493 Communicate (5954.35439s) stopped
T12 << 1462307929.01823401 Hamiltonian (25279.91701s) stopped
T12 >> 1462307929.01825595 LCAO eigensolver (35902.15752s) started
T12 >> 1462307929.01826906 Potential matrix (538.72330s) started
T12 << 1462307929.97906995 Potential matrix (539.68410s) stopped
T12 >> 1462307929.97913694 DistributedAtomicCorrection (221.44532s) started
T12 << 1462307930.41489410 DistributedAtomicCorrection (221.88108s) stopped
T12 >> 1462307930.41495800 Distribute overlap matrix (4078.70566s) started
T12 >> 1462307930.41497993 blocked summation (2278.38671s) started
T12 << 1462307934.88509297 blocked summation (2282.85682s) stopped
T12 >> 1462307934.89475012 Scalapack redistribute (1794.86232s) started
T12 << 1462307938.37953901 Scalapack redistribute (1798.34711s) stopped
T12 << 1462307938.37963891 Distribute overlap matrix (4086.67034s) stopped
T12 >> 1462307938.38419795 Blacs Orbital Layouts (30080.61441s) started
T12 >> 1462307938.39240909 General diagonalize (29957.53985s) started
T12 << 1462307993.75270700 General diagonalize (30012.90015s) stopped
T12 >> 1462307993.75275397 Redistribute coefs (4.54309s) started
T12 << 1462307993.76133299 Redistribute coefs (4.55167s) stopped
T12 >> 1462307993.76137495 Send coefs to domains (113.46716s) started
T12 << 1462307993.90406203 Send coefs to domains (113.60985s) stopped
T12 << 1462307993.90425992 Blacs Orbital Layouts (30136.13447s) stopped
T12 >> 1462307993.90428805 Calculate projections (979.94138s) started
T12 << 1462307995.67169309 Calculate projections (981.70879s) stopped
T12 << 1462307995.67204595 LCAO eigensolver (35968.81131s) stopped
T12 >> 1462307998.85897994 Density (8544.56519s) started
T12 >> 1462307998.85899401 Pseudo density (6601.89783s) started
T12 >> 1462307998.86157298 Calculate density matrix (6201.58264s) started
T12 << 1462308010.63083196 Calculate density matrix (6213.35190s) stopped
T12 >> 1462308010.63088107 Construct density (389.84829s) started
T12 << 1462308011.39900208 Construct density (390.61641s) stopped
T12 >> 1462308011.41416097 Symmetrize density (0.04448s) started
T12 << 1462308011.41422796 Symmetrize density (0.04455s) stopped
T12 << 1462308011.41632295 Pseudo density (6614.45516s) stopped
T12 >> 1462308011.41637993 Atomic density matrices (1712.98190s) started
T12 << 1462308014.82222605 Atomic density matrices (1716.38775s) stopped
T12 >> 1462308014.82225990 Multipole moments (6.03140s) started
T12 << 1462308014.83681512 Multipole moments (6.04595s) stopped
T12 >> 1462308014.83684611 Normalize (3.52268s) started
T12 << 1462308014.84283996 Normalize (3.52867s) stopped
T12 >> 1462308014.84295511 Mix (220.09065s) started
T12 << 1462308015.29014111 Mix (220.53784s) stopped
T12 << 1462308015.29017901 Density (8560.99639s) stopped
T12 >> 1462308015.29020309 Hamiltonian (25279.91703s) started
T12 >> 1462308015.29021692 vbar (13.98742s) started
T12 << 1462308015.31427002 vbar (14.01147s) stopped
T12 >> 1462308015.31432700 XC 3D grid (14723.73615s) started
T12 >> 1462308015.82610202 van der Waals (14222.39231s) started
T12 >> 1462308015.93546200 semilocal (3001.19358s) started
T12 << 1462308021.68165493 semilocal (3006.93977s) stopped
T12 >> 1462308021.76194692 redistribute (1541.13752s) started
T12 << 1462308022.81613111 redistribute (1542.19170s) stopped
T12 >> 1462308022.81617403 libvdwxc nonlocal (9580.85231s) started
T12 << 1462308040.93358207 libvdwxc nonlocal (9598.96972s) stopped
T12 >> 1462308040.93364406 redistribute (1542.19173s) started
T12 << 1462308042.70656395 redistribute (1543.96465s) stopped
T12 << 1462308042.70760703 van der Waals (14249.27381s) stopped
T12 << 1462308043.17707896 XC 3D grid (14751.59890s) stopped
T12 >> 1462308043.17712402 Poisson (3151.43741s) started
T12 << 1462308046.11203289 Poisson (3154.37232s) stopped
T12 >> 1462308046.11218905 Hartree integrate/restrict (192.86170s) started
T12 << 1462308046.15531898 Hartree integrate/restrict (192.90483s) stopped
T12 >> 1462308046.15538406 Hartree integrate/restrict (192.90487s) started
T12 << 1462308046.48220205 Hartree integrate/restrict (193.23169s) stopped
T12 >> 1462308046.48229694 Atomic (1243.32971s) started
T12 >> 1462308046.48411012 XC Correction (0.01715s) started
T12 << 1462308046.48412800 XC Correction (0.01717s) stopped
T12 << 1462308048.86411309 Atomic (1245.71152s) stopped
T12 >> 1462308048.86424804 Communicate (5954.35441s) started
T12 << 1462308064.84636092 Communicate (5970.33652s) stopped
T12 << 1462308064.84639406 Hamiltonian (25329.47322s) stopped
T12 >> 1462308064.84641790 LCAO eigensolver (35968.81133s) started
T12 >> 1462308064.84643102 Potential matrix (539.68414s) started
T12 << 1462308065.81525707 Potential matrix (540.65297s) stopped
T12 >> 1462308065.81532311 DistributedAtomicCorrection (221.88111s) started
T12 << 1462308066.25278497 DistributedAtomicCorrection (222.31858s) stopped
T12 >> 1462308066.25285196 Distribute overlap matrix (4086.67036s) started
T12 >> 1462308066.25287390 blocked summation (2282.85686s) started
T12 << 1462308070.69829106 blocked summation (2287.30228s) stopped
T12 >> 1462308070.70688105 Scalapack redistribute (1798.34717s) started
T12 << 1462308074.07179499 Scalapack redistribute (1801.71208s) stopped
T12 << 1462308074.07189894 Distribute overlap matrix (4094.48940s) stopped
T12 >> 1462308074.07607508 Blacs Orbital Layouts (30136.13449s) started
T12 >> 1462308074.08405995 General diagonalize (30012.90019s) started
T12 << 1462308128.19792795 General diagonalize (30067.01406s) stopped
T12 >> 1462308128.19797492 Redistribute coefs (4.55170s) started
T12 << 1462308128.20642400 Redistribute coefs (4.56015s) stopped
T12 >> 1462308128.20646501 Send coefs to domains (113.60989s) started
T12 << 1462308128.43508101 Send coefs to domains (113.83850s) stopped
T12 << 1462308128.43528605 Blacs Orbital Layouts (30190.49370s) stopped
T12 >> 1462308128.43531489 Calculate projections (981.70884s) started
T12 << 1462308130.20415401 Calculate projections (983.47768s) stopped
T12 << 1462308130.20434308 LCAO eigensolver (36034.16925s) stopped
T12 >> 1462308133.39655805 Density (8560.99640s) started
T12 >> 1462308133.39657211 Pseudo density (6614.45521s) started
T12 >> 1462308133.39918399 Calculate density matrix (6213.35193s) started
T12 << 1462308145.14958096 Calculate density matrix (6225.10233s) stopped
T12 >> 1462308145.14962792 Construct density (390.61646s) started
T12 << 1462308145.91751504 Construct density (391.38435s) stopped
T12 >> 1462308145.93264389 Symmetrize density (0.04456s) started
T12 << 1462308145.93270802 Symmetrize density (0.04463s) stopped
T12 << 1462308145.93480897 Pseudo density (6626.99344s) stopped
T12 >> 1462308145.93486500 Atomic density matrices (1716.38777s) started
T12 << 1462308149.35682011 Atomic density matrices (1719.80973s) stopped
T12 >> 1462308149.35685396 Multipole moments (6.04597s) started
T12 << 1462308149.37141395 Multipole moments (6.06053s) stopped
T12 >> 1462308149.37144589 Normalize (3.52876s) started
T12 << 1462308149.37750793 Normalize (3.53482s) stopped
T12 >> 1462308149.37761807 Mix (220.53788s) started
T12 << 1462308149.82006598 Mix (220.98033s) stopped
T12 << 1462308149.82012200 Density (8577.41997s) stopped
T12 >> 1462308149.82014990 Hamiltonian (25329.47323s) started
T12 >> 1462308149.82016492 vbar (14.01150s) started
T12 << 1462308149.84565902 vbar (14.03700s) stopped
T12 >> 1462308149.84578609 XC 3D grid (14751.59894s) started
T12 >> 1462308150.33170509 van der Waals (14249.27383s) started
T12 >> 1462308150.44122505 semilocal (3006.93991s) started
T12 << 1462308156.20675492 semilocal (3012.70544s) stopped
T12 >> 1462308156.29025006 redistribute (1543.96471s) started
T12 << 1462308157.33789301 redistribute (1545.01235s) stopped
T12 >> 1462308157.33793592 libvdwxc nonlocal (9598.96977s) started
T12 << 1462308175.52578092 libvdwxc nonlocal (9617.15761s) stopped
T12 >> 1462308175.52586198 redistribute (1545.01239s) started
T12 << 1462308177.25860310 redistribute (1546.74513s) stopped
T12 << 1462308177.25963902 van der Waals (14276.20177s) stopped
T12 << 1462308177.72763300 XC 3D grid (14779.48079s) stopped
T12 >> 1462308177.72767591 Poisson (3154.37244s) started
T12 << 1462308180.63826799 Poisson (3157.28303s) stopped
T12 >> 1462308180.63834095 Hartree integrate/restrict (193.23174s) started
T12 << 1462308180.68230510 Hartree integrate/restrict (193.27570s) stopped
T12 >> 1462308180.68238711 Hartree integrate/restrict (193.27576s) started
T12 << 1462308181.04728389 Hartree integrate/restrict (193.64066s) stopped
T12 >> 1462308181.04738808 Atomic (1245.71154s) started
T12 >> 1462308181.04909801 XC Correction (0.01718s) started
T12 << 1462308181.04911304 XC Correction (0.01719s) stopped
T12 << 1462308183.42889404 Atomic (1248.09305s) stopped
T12 >> 1462308183.42902589 Communicate (5970.33654s) started
T12 << 1462308199.45006299 Communicate (5986.35758s) stopped
T12 << 1462308199.45009995 Hamiltonian (25379.10318s) stopped
T12 >> 1462308199.45012403 LCAO eigensolver (36034.16927s) started
T12 >> 1462308199.45013809 Potential matrix (540.65301s) started
T12 << 1462308200.41587400 Potential matrix (541.61874s) stopped
T12 >> 1462308200.41595411 DistributedAtomicCorrection (222.31862s) started
T12 << 1462308200.85257792 DistributedAtomicCorrection (222.75524s) stopped
T12 >> 1462308200.85264397 Distribute overlap matrix (4094.48941s) started
T12 >> 1462308200.85266495 blocked summation (2287.30231s) started
T12 << 1462308205.27350712 blocked summation (2291.72315s) stopped
T12 >> 1462308205.28316903 Scalapack redistribute (1801.71214s) started
T12 << 1462308208.74430299 Scalapack redistribute (1805.17327s) stopped
T12 << 1462308208.74440002 Distribute overlap matrix (4102.38117s) stopped
T12 >> 1462308208.74874592 Blacs Orbital Layouts (30190.49372s) started
T12 >> 1462308208.75674295 General diagonalize (30067.01410s) started
T12 << 1462308265.45605803 General diagonalize (30123.71341s) stopped
T12 >> 1462308265.45610499 Redistribute coefs (4.56018s) started
T12 << 1462308265.47260404 Redistribute coefs (4.57668s) stopped
T12 >> 1462308265.47266507 Send coefs to domains (113.83853s) started
T12 << 1462308265.64729691 Send coefs to domains (114.01316s) stopped
T12 << 1462308265.64755893 Blacs Orbital Layouts (30247.39253s) stopped
T12 >> 1462308265.64758492 Calculate projections (983.47773s) started
T12 << 1462308267.41542411 Calculate projections (985.24557s) stopped
T12 << 1462308267.41561890 LCAO eigensolver (36102.13477s) stopped
T12 >> 1462308270.59240699 Density (8577.41998s) started
T12 >> 1462308270.59242201 Pseudo density (6626.99349s) started
T12 >> 1462308270.59530306 Calculate density matrix (6225.10236s) started
T12 << 1462308282.38332295 Calculate density matrix (6236.89038s) stopped
T12 >> 1462308282.38336992 Construct density (391.38440s) started
T12 << 1462308283.15136790 Construct density (392.15240s) stopped
T12 >> 1462308283.16517496 Symmetrize density (0.04464s) started
T12 << 1462308283.16523004 Symmetrize density (0.04470s) stopped
T12 << 1462308283.16731906 Pseudo density (6639.56839s) stopped
T12 >> 1462308283.16737700 Atomic density matrices (1719.80975s) started
T12 << 1462308286.57554007 Atomic density matrices (1723.21791s) stopped
T12 >> 1462308286.57557392 Multipole moments (6.06055s) started
T12 << 1462308286.59008598 Multipole moments (6.07506s) stopped
T12 >> 1462308286.59011698 Normalize (3.53491s) started
T12 << 1462308286.59659290 Normalize (3.54139s) stopped
T12 >> 1462308286.59664297 Mix (220.98038s) started
T12 << 1462308287.04188395 Mix (221.42562s) stopped
T12 << 1462308287.04195189 Density (8593.86953s) stopped
T12 >> 1462308287.04198194 Hamiltonian (25379.10319s) started
T12 >> 1462308287.04199791 vbar (14.03708s) started
T12 << 1462308287.06976509 vbar (14.06484s) stopped
T12 >> 1462308287.06986189 XC 3D grid (14779.48082s) started
T12 >> 1462308287.56789494 van der Waals (14276.20180s) started
T12 >> 1462308287.67808509 semilocal (3012.70555s) started
T12 << 1462308293.40588188 semilocal (3018.43335s) stopped
T12 >> 1462308293.48880005 redistribute (1546.74519s) started
T12 << 1462308294.55245805 redistribute (1547.80884s) stopped
T12 >> 1462308294.55250096 libvdwxc nonlocal (9617.15768s) started
T12 << 1462308312.77937889 libvdwxc nonlocal (9635.38455s) stopped
T12 >> 1462308312.77943802 redistribute (1547.80888s) started
T12 << 1462308314.60253501 redistribute (1549.63197s) stopped
T12 << 1462308314.60352802 van der Waals (14303.23743s) stopped
T12 << 1462308315.07786989 XC 3D grid (14807.48883s) stopped
T12 >> 1462308315.07791305 Poisson (3157.28308s) started
T12 << 1462308319.36296797 Poisson (3161.56814s) stopped
T12 >> 1462308319.36303806 Hartree integrate/restrict (193.64071s) started
T12 << 1462308319.40463805 Hartree integrate/restrict (193.68231s) stopped
T12 >> 1462308319.40468407 Hartree integrate/restrict (193.68234s) started
T12 << 1462308319.72312689 Hartree integrate/restrict (194.00078s) stopped
T12 >> 1462308319.72320390 Atomic (1248.09307s) started
T12 >> 1462308319.72486210 XC Correction (0.01720s) started
T12 << 1462308319.72487593 XC Correction (0.01722s) stopped
T12 << 1462308322.10299897 Atomic (1250.47287s) stopped
T12 >> 1462308322.10312510 Communicate (5986.35761s) started
T12 << 1462308338.16256905 Communicate (6002.41705s) stopped
T12 << 1462308338.16260409 Hamiltonian (25430.22381s) stopped
T12 >> 1462308338.16262794 LCAO eigensolver (36102.13478s) started
T12 >> 1462308338.16264105 Potential matrix (541.61879s) started
T12 << 1462308339.13466501 Potential matrix (542.59081s) stopped
T12 >> 1462308339.13473201 DistributedAtomicCorrection (222.75528s) started
T12 << 1462308339.56160688 DistributedAtomicCorrection (223.18216s) stopped
T12 >> 1462308339.56167102 Distribute overlap matrix (4102.38118s) started
T12 >> 1462308339.56169295 blocked summation (2291.72318s) started
T12 << 1462308344.02109098 blocked summation (2296.18258s) stopped
T12 >> 1462308344.03057408 Scalapack redistribute (1805.17333s) started
T12 << 1462308347.47015691 Scalapack redistribute (1808.61291s) stopped
T12 << 1462308347.47025895 Distribute overlap matrix (4110.28977s) stopped
T12 >> 1462308347.47432804 Blacs Orbital Layouts (30247.39255s) started
T12 >> 1462308347.48228312 General diagonalize (30123.71345s) started
T12 << 1462308402.57643390 General diagonalize (30178.80760s) stopped
T12 >> 1462308402.57648301 Redistribute coefs (4.57674s) started
T12 << 1462308402.58510995 Redistribute coefs (4.58536s) stopped
T12 >> 1462308402.58515191 Send coefs to domains (114.01320s) started
T12 << 1462308402.72872496 Send coefs to domains (114.15677s) stopped
T12 << 1462308402.72896099 Blacs Orbital Layouts (30302.64718s) stopped
T12 >> 1462308402.72898889 Calculate projections (985.24562s) started
T12 << 1462308404.49601603 Calculate projections (987.01265s) stopped
T12 << 1462308404.49634790 LCAO eigensolver (36168.46850s) stopped
T12 << 1462308407.68635988 SCF-cycle (71979.38251s) stopped
T12 >> 1462308409.69744205 Force calculation (3135.80682s) started
T12 >> 1462308409.69753003 LCAO forces (3101.74327s) started
T12 >> 1462308409.69790506 Initial (0.00091s) started
T12 << 1462308409.69791698 Initial (0.00092s) stopped
T12 >> 1462308409.70467496 Get density matrix (1627.86362s) started
T12 << 1462308418.84442711 Get density matrix (1637.00337s) stopped
T12 >> 1462308418.84446692 Potential (245.48666s) started
T12 << 1462308425.01684904 Potential (251.65904s) stopped
T12 >> 1462308425.01690102 Get density matrix (1637.00340s) started
T12 << 1462308456.00543499 Get density matrix (1667.99193s) stopped
T12 >> 1462308456.00549197 Prepare TCI loop (86.18290s) started
T12 >> 1462308456.00601602 Get neighbors (77.64717s) started
T12 << 1462308457.92558503 Get neighbors (79.56673s) stopped
T12 >> 1462308457.92595196 broadcast dH (8.49064s) started
T12 << 1462308458.20810795 broadcast dH (8.77279s) stopped
T12 << 1462308458.20814896 Prepare TCI loop (88.38555s) stopped
T12 >> 1462308458.20816803 Not so complicated loop (4.76132s) started
T12 << 1462308458.32408404 Not so complicated loop (4.87724s) stopped
T12 >> 1462308458.43986297 Complicated loop (743.42708s) started
T12 << 1462308477.54477906 Complicated loop (762.53199s) stopped
T12 >> 1462308477.54577088 Wait for sum (388.89850s) started
T12 << 1462308487.87804389 Wait for sum (399.23077s) stopped
T12 << 1462308487.87807703 LCAO forces (3179.92382s) stopped
T12 << 1462308488.70294905 Force calculation (3214.81233s) stopped
T12 >> 1462308488.72081208 Initialization (5192.51774s) started
T12 << 1462308488.72098899 Initialization (5192.51792s) stopped
T12 >> 1462308488.72127104 Initialization (5192.51793s) started
T12 << 1462308488.72140789 Initialization (5192.51807s) stopped
T12 >> 1462308488.72154903 Initialization (5192.51808s) started
T12 << 1462308488.72168303 Initialization (5192.51822s) stopped
T12 >> 1462308508.92464805 Initialization (5192.51824s) started
T12 >> 1462308509.09922600 Basic WFS set positions (3.60871s) started
T12 >> 1462308509.09924889 Redistribute (0.01281s) started
T12 << 1462308509.09937906 Redistribute (0.01294s) stopped
T12 << 1462308509.18728304 Basic WFS set positions (3.69677s) stopped
T12 >> 1462308509.18730807 Basis functions set positions (74.71376s) started
T12 << 1462308511.11021090 Basis functions set positions (76.63666s) stopped
T12 >> 1462308511.11084390 TCI: Calculate S, T, P (623.30281s) started
T12 << 1462308526.75390506 TCI: Calculate S, T, P (638.94587s) stopped
T12 >> 1462308526.75395989 blocked summation (931.29871s) started
T12 << 1462308555.09083104 blocked summation (959.63558s) stopped
T12 >> 1462308555.10059595 Scalapack redistribute (366.09494s) started
T12 << 1462308563.69123006 Scalapack redistribute (374.68557s) stopped
T12 >> 1462308563.69227409 blocked summation (959.63563s) started
T12 << 1462308564.84403300 blocked summation (960.78739s) stopped
T12 >> 1462308564.85387802 Scalapack redistribute (374.68563s) started
T12 << 1462308565.05398989 Scalapack redistribute (374.88575s) stopped
T12 >> 1462308565.05577588 Redistribute (0.09887s) started
T12 << 1462308565.05631709 Redistribute (0.09941s) stopped
T12 >> 1462308566.80730605 Redistribute (0.09943s) started
T12 << 1462308566.80777192 Redistribute (0.09989s) stopped
T12 >> 1462308566.82252097 LCAO WFS Initialize (3111.86787s) started
T12 >> 1462308566.82255602 Density initialize from wavefunctions (585.63008s) started
T12 >> 1462308566.82876205 Calculate density matrix (405.53501s) started
T12 << 1462308577.86082411 Calculate density matrix (416.56707s) stopped
T12 >> 1462308577.86087203 Construct density (30.77042s) started
T12 << 1462308578.62752199 Construct density (31.53707s) stopped
T12 >> 1462308578.64136100 Symmetrize density (0.00334s) started
T12 << 1462308578.64142609 Symmetrize density (0.00341s) stopped
T12 << 1462308582.32686710 Density initialize from wavefunctions (601.13439s) stopped
T12 >> 1462308582.32739711 Hamiltonian (2525.31176s) started
T12 >> 1462308582.32743096 vbar (1.15995s) started
T12 << 1462308582.35538101 vbar (1.18790s) stopped
T12 >> 1462308582.35544896 XC 3D grid (1201.24142s) started
T12 >> 1462308582.86604595 van der Waals (1160.56826s) started
T12 >> 1462308582.97528791 semilocal (243.38096s) started
T12 << 1462308588.73775697 semilocal (249.14343s) stopped
T12 >> 1462308588.82065511 redistribute (135.36637s) started
T12 << 1462308589.83587790 redistribute (136.38159s) stopped
T12 >> 1462308589.83592796 libvdwxc nonlocal (773.77530s) started
T12 << 1462308608.09975100 libvdwxc nonlocal (792.03912s) stopped
T12 >> 1462308608.09982705 redistribute (136.38163s) started
T12 << 1462308609.80016708 redistribute (138.08197s) stopped
T12 << 1462308609.80132294 van der Waals (1187.50353s) stopped
T12 << 1462308610.27381897 XC 3D grid (1229.15979s) stopped
T12 >> 1462308610.27388191 Poisson (628.20042s) started
T12 << 1462308621.64565611 Poisson (639.57219s) stopped
T12 >> 1462308621.64576888 Hartree integrate/restrict (15.53951s) started
T12 << 1462308621.68985891 Hartree integrate/restrict (15.58360s) stopped
T12 >> 1462308621.68991303 Hartree integrate/restrict (15.58363s) started
T12 << 1462308622.00364995 Hartree integrate/restrict (15.89737s) stopped
T12 >> 1462308622.00374293 Atomic (99.41420s) started
T12 >> 1462308622.00569105 XC Correction (0.00160s) started
T12 << 1462308622.00570607 XC Correction (0.00162s) stopped
T12 << 1462308624.38593793 Atomic (101.79639s) stopped
T12 >> 1462308624.38611102 Communicate (579.71330s) started
T12 << 1462308642.31434894 Communicate (597.64154s) stopped
T12 << 1462308642.31438494 Hamiltonian (2585.29875s) stopped
T12 << 1462308642.31439996 LCAO WFS Initialize (3187.35975s) stopped
T12 << 1462308642.32660198 Initialization (5325.92019s) stopped
T12 >> 1462308642.35235405 SCF-cycle (71979.38253s) started
T12 >> 1462308642.35239005 LCAO eigensolver (36168.46852s) started
T12 >> 1462308642.35240293 Potential matrix (542.59085s) started
T12 << 1462308643.32241702 Potential matrix (543.56087s) stopped
T12 >> 1462308643.32247591 DistributedAtomicCorrection (223.18220s) started
T12 << 1462308643.74749088 DistributedAtomicCorrection (223.60721s) stopped
T12 >> 1462308643.74753809 Distribute overlap matrix (4110.28978s) started
T12 >> 1462308643.74756694 blocked summation (2296.18261s) started
T12 << 1462308648.18027592 blocked summation (2300.61532s) stopped
T12 >> 1462308648.19008708 Scalapack redistribute (1808.61298s) started
T12 << 1462308651.63920307 Scalapack redistribute (1812.06209s) stopped
T12 << 1462308651.63930798 Distribute overlap matrix (4118.18155s) stopped
T12 >> 1462308651.64348507 Blacs Orbital Layouts (30302.64720s) started
T12 >> 1462308651.65199590 General diagonalize (30178.80764s) started
T12 << 1462308705.08866811 General diagonalize (30232.24431s) stopped
T12 >> 1462308705.08871603 Redistribute coefs (4.58540s) started
T12 << 1462308705.09676003 Redistribute coefs (4.59344s) stopped
T12 >> 1462308705.09680891 Send coefs to domains (114.15680s) started
T12 << 1462308705.32211399 Send coefs to domains (114.38211s) stopped
T12 << 1462308705.32250595 Blacs Orbital Layouts (30356.32622s) stopped
T12 >> 1462308705.32253289 Calculate projections (987.01269s) started
T12 << 1462308707.08623409 Calculate projections (988.77639s) stopped
T12 << 1462308707.08661890 LCAO eigensolver (36233.20275s) stopped
T12 >> 1462308710.27306795 Density (8593.86954s) started
T12 >> 1462308710.27308297 Pseudo density (6639.56843s) started
T12 >> 1462308710.27662301 Calculate density matrix (6236.89042s) started
T12 << 1462308722.03784299 Calculate density matrix (6248.65164s) stopped
T12 >> 1462308722.03789210 Construct density (392.15244s) started
T12 << 1462308722.80547595 Construct density (392.92003s) stopped
T12 >> 1462308722.81917906 Symmetrize density (0.04471s) started
T12 << 1462308722.81924009 Symmetrize density (0.04478s) stopped
T12 << 1462308722.82125592 Pseudo density (6652.11661s) stopped
T12 >> 1462308722.82131505 Atomic density matrices (1723.21794s) started
T12 << 1462308726.20145893 Atomic density matrices (1726.59808s) stopped
T12 >> 1462308726.20149112 Multipole moments (6.07508s) started
T12 << 1462308726.21644306 Multipole moments (6.09003s) stopped
T12 >> 1462308726.21646595 Normalize (3.54142s) started
T12 << 1462308726.22277689 Normalize (3.54773s) stopped
T12 >> 1462308726.22285104 Mix (221.42569s) started
T12 << 1462308726.59611607 Mix (221.79895s) stopped
T12 << 1462308726.59617996 Density (8610.19265s) stopped
T12 >> 1462308726.59620905 Hamiltonian (25430.22383s) started
T12 >> 1462308726.59622312 vbar (14.06491s) started
T12 << 1462308726.61905289 vbar (14.08774s) stopped
T12 >> 1462308726.61918902 XC 3D grid (14807.48886s) started
T12 >> 1462308727.18784308 van der Waals (14303.23746s) started
T12 >> 1462308727.29568791 semilocal (3018.43346s) started
T12 << 1462308733.08778596 semilocal (3024.22556s) stopped
T12 >> 1462308733.17085004 redistribute (1549.63203s) started
T12 << 1462308734.14933705 redistribute (1550.61052s) stopped
T12 >> 1462308734.14937901 libvdwxc nonlocal (9635.38460s) started
T12 << 1462308752.77190399 libvdwxc nonlocal (9654.00712s) stopped
T12 >> 1462308752.77196693 redistribute (1550.61055s) started
T12 << 1462308754.44044995 redistribute (1552.27903s) stopped
T12 << 1462308754.44166398 van der Waals (14330.49128s) stopped
T12 << 1462308754.90899992 XC 3D grid (14835.77867s) stopped
T12 >> 1462308754.90904307 Poisson (3161.56819s) started
T12 << 1462308759.28391409 Poisson (3165.94306s) stopped
T12 >> 1462308759.28400302 Hartree integrate/restrict (194.00081s) started
T12 << 1462308759.33320689 Hartree integrate/restrict (194.05002s) stopped
T12 >> 1462308759.33329606 Hartree integrate/restrict (194.05008s) started
T12 << 1462308759.66156411 Hartree integrate/restrict (194.37835s) stopped
T12 >> 1462308759.66167212 Atomic (1250.47289s) started
T12 >> 1462308759.66374993 XC Correction (0.01723s) started
T12 << 1462308759.66377807 XC Correction (0.01726s) stopped
T12 << 1462308762.04728198 Atomic (1252.85850s) stopped
T12 >> 1462308762.04745889 Communicate (6002.41707s) started
T12 << 1462308779.95732689 Communicate (6020.32694s) stopped
T12 << 1462308779.95736194 Hamiltonian (25483.58498s) stopped
T12 >> 1462308779.95738697 LCAO eigensolver (36233.20277s) started
T12 >> 1462308779.95740008 Potential matrix (543.56090s) started
T12 << 1462308780.92834711 Potential matrix (544.53184s) stopped
T12 >> 1462308780.92842889 DistributedAtomicCorrection (223.60725s) started
T12 << 1462308781.35538912 DistributedAtomicCorrection (224.03421s) stopped
T12 >> 1462308781.35543609 Distribute overlap matrix (4118.18156s) started
T12 >> 1462308781.35546803 blocked summation (2300.61535s) started
T12 << 1462308785.76498890 blocked summation (2305.02487s) stopped
T12 >> 1462308785.77528191 Scalapack redistribute (1812.06216s) started
T12 << 1462308789.31031108 Scalapack redistribute (1815.59718s) stopped
T12 << 1462308789.31038189 Distribute overlap matrix (4126.13651s) stopped
T12 >> 1462308789.31487393 Blacs Orbital Layouts (30356.32624s) started
T12 >> 1462308789.32394505 General diagonalize (30232.24435s) started
T12 << 1462308841.76984191 General diagonalize (30284.69025s) stopped
T12 >> 1462308841.76991510 Redistribute coefs (4.59348s) started
T12 << 1462308841.77856398 Redistribute coefs (4.60213s) stopped
T12 >> 1462308841.77863693 Send coefs to domains (114.38214s) started
T12 << 1462308841.87888408 Send coefs to domains (114.48239s) stopped
T12 << 1462308841.87936592 Blacs Orbital Layouts (30408.89073s) stopped
T12 >> 1462308841.87939405 Calculate projections (988.77644s) started
T12 << 1462308843.64388609 Calculate projections (990.54094s) stopped
T12 << 1462308843.64428091 LCAO eigensolver (36296.88966s) stopped
T12 >> 1462308846.83732700 Density (8610.19267s) started
T12 >> 1462308846.83734107 Pseudo density (6652.11665s) started
T12 >> 1462308846.84040189 Calculate density matrix (6248.65167s) started
T12 << 1462308858.57026410 Calculate density matrix (6260.38153s) stopped
T12 >> 1462308858.57031298 Construct density (392.92008s) started
T12 << 1462308859.33874011 Construct density (393.68850s) stopped
T12 >> 1462308859.35336399 Symmetrize density (0.04479s) started
T12 << 1462308859.35343003 Symmetrize density (0.04486s) stopped
T12 << 1462308859.35543394 Pseudo density (6664.63475s) stopped
T12 >> 1462308859.35549402 Atomic density matrices (1726.59811s) started
T12 << 1462308862.77912498 Atomic density matrices (1730.02174s) stopped
T12 >> 1462308862.77915692 Multipole moments (6.09004s) started
T12 << 1462308862.79421091 Multipole moments (6.10510s) stopped
T12 >> 1462308862.79423499 Normalize (3.54779s) started
T12 << 1462308862.80030608 Normalize (3.55387s) stopped
T12 >> 1462308862.80041099 Mix (221.79902s) started
T12 << 1462308863.18243694 Mix (222.18104s) stopped
T12 << 1462308863.18251991 Density (8626.53786s) stopped
T12 >> 1462308863.18255591 Hamiltonian (25483.58499s) started
T12 >> 1462308863.18257308 vbar (14.08781s) started
T12 << 1462308863.20663095 vbar (14.11187s) stopped
T12 >> 1462308863.20672488 XC 3D grid (14835.77870s) started
T12 >> 1462308863.69967890 van der Waals (14330.49131s) started
T12 >> 1462308863.80878901 semilocal (3024.22564s) started
T12 << 1462308869.54261088 semilocal (3029.95946s) stopped
T12 >> 1462308869.63283300 redistribute (1552.27909s) started
T12 << 1462308870.70227909 redistribute (1553.34854s) stopped
T12 >> 1462308870.70232296 libvdwxc nonlocal (9654.00717s) started
T12 << 1462308889.34027195 libvdwxc nonlocal (9672.64512s) stopped
T12 >> 1462308889.34033489 redistribute (1553.34857s) started
T12 << 1462308891.03504896 redistribute (1555.04328s) stopped
T12 << 1462308891.03617811 van der Waals (14357.82781s) stopped
T12 << 1462308891.49841905 XC 3D grid (14864.07040s) stopped
T12 >> 1462308891.49846101 Poisson (3165.94313s) started
T12 << 1462308897.32937908 Poisson (3171.77405s) stopped
T12 >> 1462308897.32945395 Hartree integrate/restrict (194.37840s) started
T12 << 1462308897.37945294 Hartree integrate/restrict (194.42840s) stopped
T12 >> 1462308897.37949991 Hartree integrate/restrict (194.42843s) started
T12 << 1462308897.71125793 Hartree integrate/restrict (194.76019s) stopped
T12 >> 1462308897.71133494 Atomic (1252.85852s) started
T12 >> 1462308897.71313310 XC Correction (0.01727s) started
T12 << 1462308897.71315098 XC Correction (0.01729s) stopped
T12 << 1462308900.06475592 Atomic (1255.21194s) stopped
T12 >> 1462308900.06493402 Communicate (6020.32696s) started
T12 << 1462308918.09017611 Communicate (6038.35221s) stopped
T12 << 1462308918.09021401 Hamiltonian (25538.49265s) stopped
T12 >> 1462308918.09023905 LCAO eigensolver (36296.88968s) started
T12 >> 1462308918.09025192 Potential matrix (544.53189s) started
T12 << 1462308919.06381607 Potential matrix (545.50545s) stopped
T12 >> 1462308919.06389689 DistributedAtomicCorrection (224.03425s) started
T12 << 1462308919.49686098 DistributedAtomicCorrection (224.46721s) stopped
T12 >> 1462308919.49690890 Distribute overlap matrix (4126.13652s) started
T12 >> 1462308919.49693990 blocked summation (2305.02490s) started
T12 << 1462308923.84945989 blocked summation (2309.37742s) stopped
T12 >> 1462308923.85882592 Scalapack redistribute (1815.59722s) started
T12 << 1462308927.36847496 Scalapack redistribute (1819.10687s) stopped
T12 << 1462308927.36858201 Distribute overlap matrix (4134.00820s) stopped
T12 >> 1462308927.37295794 Blacs Orbital Layouts (30408.89075s) started
T12 >> 1462308927.38192105 General diagonalize (30284.69031s) started
T12 << 1462308982.82689500 General diagonalize (30340.13528s) stopped
T12 >> 1462308982.82696605 Redistribute coefs (4.60219s) started
T12 << 1462308982.83561206 Redistribute coefs (4.61083s) stopped
T12 >> 1462308982.83568501 Send coefs to domains (114.48242s) started
T12 << 1462308982.93214011 Send coefs to domains (114.57888s) stopped
T12 << 1462308982.93267894 Blacs Orbital Layouts (30464.45047s) stopped
T12 >> 1462308982.93270707 Calculate projections (990.54098s) started
T12 << 1462308984.69706106 Calculate projections (992.30534s) stopped
T12 << 1462308984.69724798 LCAO eigensolver (36363.49669s) stopped
T12 >> 1462308987.87927294 Density (8626.53788s) started
T12 >> 1462308987.87928700 Pseudo density (6664.63479s) started
T12 >> 1462308987.88265610 Calculate density matrix (6260.38157s) started
T12 << 1462308999.64860296 Calculate density matrix (6272.14751s) stopped
T12 >> 1462308999.64865088 Construct density (393.68856s) started
T12 << 1462309000.41754508 Construct density (394.45745s) stopped
T12 >> 1462309000.43260694 Symmetrize density (0.04487s) started
T12 << 1462309000.43267202 Symmetrize density (0.04494s) stopped
T12 << 1462309000.43466306 Pseudo density (6677.19017s) stopped
T12 >> 1462309000.43472099 Atomic density matrices (1730.02176s) started
T12 << 1462309003.85945106 Atomic density matrices (1733.44649s) stopped
T12 >> 1462309003.85948396 Multipole moments (6.10511s) started
T12 << 1462309003.87446308 Multipole moments (6.12009s) stopped
T12 >> 1462309003.87448597 Normalize (3.55395s) started
T12 << 1462309003.88066196 Normalize (3.56013s) stopped
T12 >> 1462309003.88077402 Mix (222.18112s) started
T12 << 1462309004.28554392 Mix (222.58589s) stopped
T12 << 1462309004.28562093 Density (8642.94423s) stopped
T12 >> 1462309004.28565693 Hamiltonian (25538.49266s) started
T12 >> 1462309004.28567290 vbar (14.11193s) started
T12 << 1462309004.31224108 vbar (14.13849s) stopped
T12 >> 1462309004.31234694 XC 3D grid (14864.07043s) started
T12 >> 1462309004.82859993 van der Waals (14357.82783s) started
T12 >> 1462309004.93650603 semilocal (3029.95958s) started
T12 << 1462309010.64985895 semilocal (3035.67293s) stopped
T12 >> 1462309010.73025298 redistribute (1555.04334s) started
T12 << 1462309011.77612996 redistribute (1556.08922s) stopped
T12 >> 1462309011.77617311 libvdwxc nonlocal (9672.64517s) started
T12 << 1462309030.33880091 libvdwxc nonlocal (9691.20780s) stopped
T12 >> 1462309030.33886695 redistribute (1556.08925s) started
T12 << 1462309032.03452492 redistribute (1557.78491s) stopped
T12 << 1462309032.03538108 van der Waals (14385.03461s) stopped
T12 << 1462309032.50631905 XC 3D grid (14892.26440s) stopped
T12 >> 1462309032.50638294 Poisson (3171.77411s) started
T12 << 1462309038.51500010 Poisson (3177.78272s) stopped
T12 >> 1462309038.51513410 Hartree integrate/restrict (194.76022s) started
T12 << 1462309038.56169796 Hartree integrate/restrict (194.80679s) stopped
T12 >> 1462309038.56174803 Hartree integrate/restrict (194.80682s) started
T12 << 1462309038.87743902 Hartree integrate/restrict (195.12251s) stopped
T12 >> 1462309038.87754107 Atomic (1255.21197s) started
T12 >> 1462309038.87928605 XC Correction (0.01730s) started
T12 << 1462309038.87930298 XC Correction (0.01732s) stopped
T12 << 1462309041.26133609 Atomic (1257.59576s) stopped
T12 >> 1462309041.26150107 Communicate (6038.35223s) started
T12 << 1462309059.23235989 Communicate (6056.32309s) stopped
T12 << 1462309059.23239493 Hamiltonian (25593.43940s) stopped
T12 >> 1462309059.23241997 LCAO eigensolver (36363.49671s) started
T12 >> 1462309059.23243308 Potential matrix (545.50550s) started
T12 << 1462309060.20805907 Potential matrix (546.48113s) stopped
T12 >> 1462309060.20814395 DistributedAtomicCorrection (224.46725s) started
T12 << 1462309060.64127898 DistributedAtomicCorrection (224.90039s) stopped
T12 >> 1462309060.64132690 Distribute overlap matrix (4134.00821s) started
T12 >> 1462309060.64135695 blocked summation (2309.37745s) started
T12 << 1462309065.11267900 blocked summation (2313.84877s) stopped
T12 >> 1462309065.12235093 Scalapack redistribute (1819.10694s) started
T12 << 1462309068.52488804 Scalapack redistribute (1822.50948s) stopped
T12 << 1462309068.52500391 Distribute overlap matrix (4141.89189s) stopped
T12 >> 1462309068.52997708 Blacs Orbital Layouts (30464.45049s) started
T12 >> 1462309068.53856206 General diagonalize (30340.13534s) started
T12 << 1462309121.84887004 General diagonalize (30393.44565s) stopped
T12 >> 1462309121.84891701 Redistribute coefs (4.61089s) started
T12 << 1462309121.85737610 Redistribute coefs (4.61935s) stopped
T12 >> 1462309121.85744810 Send coefs to domains (114.57891s) started
T12 << 1462309121.97118402 Send coefs to domains (114.69265s) stopped
T12 << 1462309121.97164989 Blacs Orbital Layouts (30517.89216s) stopped
T12 >> 1462309121.97167802 Calculate projections (992.30539s) started
T12 << 1462309123.73986197 Calculate projections (994.07357s) stopped
T12 << 1462309123.74021411 LCAO eigensolver (36428.00450s) stopped
T12 >> 1462309126.91294789 Density (8642.94424s) started
T12 >> 1462309126.91296411 Pseudo density (6677.19022s) started
T12 >> 1462309126.91546893 Calculate density matrix (6272.14754s) started
T12 << 1462309138.71209598 Calculate density matrix (6283.94417s) stopped
T12 >> 1462309138.71214509 Construct density (394.45750s) started
T12 << 1462309139.48262811 Construct density (395.22798s) stopped
T12 >> 1462309139.49659395 Symmetrize density (0.04496s) started
T12 << 1462309139.49665689 Symmetrize density (0.04502s) stopped
T12 << 1462309139.49862194 Pseudo density (6689.77587s) stopped
T12 >> 1462309139.49868107 Atomic density matrices (1733.44652s) started
T12 << 1462309142.89254189 Atomic density matrices (1736.84038s) stopped
T12 >> 1462309142.89257503 Multipole moments (6.12011s) started
T12 << 1462309142.90754008 Multipole moments (6.13507s) stopped
T12 >> 1462309142.90757203 Normalize (3.56022s) started
T12 << 1462309142.91401196 Normalize (3.56666s) stopped
T12 >> 1462309142.91411996 Mix (222.58597s) started
T12 << 1462309143.32307196 Mix (222.99492s) stopped
T12 << 1462309143.32312894 Density (8659.35442s) stopped
T12 >> 1462309143.32315612 Hamiltonian (25593.43941s) started
T12 >> 1462309143.32316995 vbar (14.13856s) started
T12 << 1462309143.34729195 vbar (14.16268s) stopped
T12 >> 1462309143.34740806 XC 3D grid (14892.26445s) started
T12 >> 1462309143.83646202 van der Waals (14385.03464s) started
T12 >> 1462309143.94798207 semilocal (3035.67304s) started
T12 << 1462309149.78487110 semilocal (3041.50993s) stopped
T12 >> 1462309149.85666895 redistribute (1557.78497s) started
T12 << 1462309150.82975197 redistribute (1558.75805s) stopped
T12 >> 1462309150.82982302 libvdwxc nonlocal (9691.20785s) started
T12 << 1462309169.92552590 libvdwxc nonlocal (9710.30355s) stopped
T12 >> 1462309169.92556810 redistribute (1558.75811s) started
T12 << 1462309171.61064196 redistribute (1560.44318s) stopped
T12 << 1462309171.61161208 van der Waals (14412.80979s) stopped
T12 << 1462309172.08735991 XC 3D grid (14921.00441s) stopped
T12 >> 1462309172.08742690 Poisson (3177.78283s) started
T12 << 1462309178.03632307 Poisson (3183.73173s) stopped
T12 >> 1462309178.03640008 Hartree integrate/restrict (195.12256s) started
T12 << 1462309178.08078003 Hartree integrate/restrict (195.16694s) stopped
T12 >> 1462309178.08082199 Hartree integrate/restrict (195.16697s) started
T12 << 1462309178.39990091 Hartree integrate/restrict (195.48605s) stopped
T12 >> 1462309178.39999104 Atomic (1257.59578s) started
T12 >> 1462309178.40178704 XC Correction (0.01733s) started
T12 << 1462309178.40180206 XC Correction (0.01734s) stopped
T12 << 1462309180.78015804 Atomic (1259.97595s) stopped
T12 >> 1462309180.78032994 Communicate (6056.32311s) started
T12 << 1462309197.85796309 Communicate (6073.40075s) stopped
T12 << 1462309197.85799909 Hamiltonian (25647.97426s) stopped
T12 >> 1462309197.85802293 LCAO eigensolver (36428.00452s) started
T12 >> 1462309197.85803604 Potential matrix (546.48118s) started
T12 << 1462309198.82896209 Potential matrix (547.45210s) stopped
T12 >> 1462309198.82902098 DistributedAtomicCorrection (224.90043s) started
T12 << 1462309199.27011800 DistributedAtomicCorrection (225.34152s) stopped
T12 >> 1462309199.27016497 Distribute overlap matrix (4141.89190s) started
T12 >> 1462309199.27019501 blocked summation (2313.84880s) started
T12 << 1462309203.71156096 blocked summation (2318.29017s) stopped
T12 >> 1462309203.72066998 Scalapack redistribute (1822.50954s) started
T12 << 1462309207.16498590 Scalapack redistribute (1825.95386s) stopped
T12 << 1462309207.16508198 Distribute overlap matrix (4149.78682s) stopped
T12 >> 1462309207.16987491 Blacs Orbital Layouts (30517.89218s) started
T12 >> 1462309207.17880392 General diagonalize (30393.44569s) started
T12 << 1462309260.89281297 General diagonalize (30447.15970s) stopped
T12 >> 1462309260.89286089 Redistribute coefs (4.61941s) started
T12 << 1462309260.90129399 Redistribute coefs (4.62785s) stopped
T12 >> 1462309260.90136504 Send coefs to domains (114.69268s) started
T12 << 1462309260.98979712 Send coefs to domains (114.78111s) stopped
T12 << 1462309260.99016094 Blacs Orbital Layouts (30571.71247s) stopped
T12 >> 1462309260.99018788 Calculate projections (994.07362s) started
T12 << 1462309262.75686193 Calculate projections (995.84029s) stopped
T12 << 1462309262.75705791 LCAO eigensolver (36492.90356s) stopped
T12 >> 1462309265.95481110 Density (8659.35444s) started
T12 >> 1462309265.95482612 Pseudo density (6689.77592s) started
T12 >> 1462309265.95770407 Calculate density matrix (6283.94421s) started
T12 << 1462309278.67206812 Calculate density matrix (6296.65857s) stopped
T12 >> 1462309278.67211509 Construct density (395.22804s) started
T12 << 1462309279.44029188 Construct density (395.99621s) stopped
T12 >> 1462309279.45389199 Symmetrize density (0.04504s) started
T12 << 1462309279.45395494 Symmetrize density (0.04510s) stopped
T12 << 1462309279.45591402 Pseudo density (6703.27701s) stopped
T12 >> 1462309279.45597506 Atomic density matrices (1736.84040s) started
T12 << 1462309282.88973594 Atomic density matrices (1740.27417s) stopped
T12 >> 1462309282.88976789 Multipole moments (6.13509s) started
T12 << 1462309282.90463996 Multipole moments (6.14996s) stopped
T12 >> 1462309282.90467000 Normalize (3.56675s) started
T12 << 1462309282.91084194 Normalize (3.57292s) stopped
T12 >> 1462309282.91094089 Mix (222.99498s) started
T12 << 1462309283.32533693 Mix (223.40937s) stopped
T12 << 1462309283.32539606 Density (8676.72502s) stopped
T12 >> 1462309283.32541990 Hamiltonian (25647.97427s) started
T12 >> 1462309283.32543492 vbar (14.16274s) started
T12 << 1462309283.34996009 vbar (14.18727s) stopped
T12 >> 1462309283.35004902 XC 3D grid (14921.00446s) started
T12 >> 1462309283.83974004 van der Waals (14412.80981s) started
T12 >> 1462309283.95158911 semilocal (3041.51000s) started
T12 << 1462309289.76236200 semilocal (3047.32078s) stopped
T12 >> 1462309289.83642411 redistribute (1560.44323s) started
T12 << 1462309290.82276106 redistribute (1561.42957s) stopped
T12 >> 1462309290.82282710 libvdwxc nonlocal (9710.30358s) started
T12 << 1462309309.01971412 libvdwxc nonlocal (9728.50047s) stopped
T12 >> 1462309309.01976609 redistribute (1561.42962s) started
T12 << 1462309310.90311289 redistribute (1563.31297s) stopped
T12 << 1462309310.90424299 van der Waals (14439.87431s) stopped
T12 << 1462309311.36948109 XC 3D grid (14949.02389s) stopped
T12 >> 1462309311.36952305 Poisson (3183.73178s) started
T12 << 1462309315.72051096 Poisson (3188.08277s) stopped
T12 >> 1462309315.72057605 Hartree integrate/restrict (195.48609s) started
T12 << 1462309315.76724100 Hartree integrate/restrict (195.53276s) stopped
T12 >> 1462309315.76729202 Hartree integrate/restrict (195.53279s) started
T12 << 1462309316.08512306 Hartree integrate/restrict (195.85062s) stopped
T12 >> 1462309316.08521795 Atomic (1259.97597s) started
T12 >> 1462309316.08704305 XC Correction (0.01735s) started
T12 << 1462309316.08705807 XC Correction (0.01737s) stopped
T12 << 1462309318.47400308 Atomic (1262.36476s) stopped
T12 >> 1462309318.47416711 Communicate (6073.40077s) started
T12 << 1462309334.75123310 Communicate (6089.67784s) stopped
T12 << 1462309334.75127196 Hamiltonian (25699.40012s) stopped
T12 >> 1462309334.75129700 LCAO eigensolver (36492.90358s) started
T12 >> 1462309334.75131011 Potential matrix (547.45213s) started
T12 << 1462309335.72202611 Potential matrix (548.42285s) stopped
T12 >> 1462309335.72208309 DistributedAtomicCorrection (225.34156s) started
T12 << 1462309336.16444802 DistributedAtomicCorrection (225.78393s) stopped
T12 >> 1462309336.16451097 Distribute overlap matrix (4149.78683s) started
T12 >> 1462309336.16453290 blocked summation (2318.29021s) started
T12 << 1462309340.61234403 blocked summation (2322.73802s) stopped
T12 >> 1462309340.62249494 Scalapack redistribute (1825.95392s) started
T12 << 1462309344.04913902 Scalapack redistribute (1829.38057s) stopped
T12 << 1462309344.04923701 Distribute overlap matrix (4157.67155s) stopped
T12 >> 1462309344.05354095 Blacs Orbital Layouts (30571.71249s) started
T12 >> 1462309344.06232309 General diagonalize (30447.15974s) started
T12 << 1462309399.44075704 General diagonalize (30502.53817s) stopped
T12 >> 1462309399.44080710 Redistribute coefs (4.62790s) started
T12 << 1462309399.44882989 Redistribute coefs (4.63593s) stopped
T12 >> 1462309399.44890308 Send coefs to domains (114.78115s) started
T12 << 1462309399.56662607 Send coefs to domains (114.89887s) stopped
T12 << 1462309399.56699800 Blacs Orbital Layouts (30627.22594s) stopped
T12 >> 1462309399.56702590 Calculate projections (995.84035s) started
T12 << 1462309401.33236909 Calculate projections (997.60569s) stopped
T12 << 1462309401.33255911 LCAO eigensolver (36559.48484s) stopped
T12 >> 1462309404.54356790 Density (8676.72503s) started
T12 >> 1462309404.54358292 Pseudo density (6703.27706s) started
T12 >> 1462309404.54631901 Calculate density matrix (6296.65860s) started
T12 << 1462309417.37942195 Calculate density matrix (6309.49170s) stopped
T12 >> 1462309417.37947011 Construct density (395.99627s) started
T12 << 1462309418.15115905 Construct density (396.76795s) stopped
T12 >> 1462309418.16623306 Symmetrize density (0.04512s) started
T12 << 1462309418.16629791 Symmetrize density (0.04518s) stopped
T12 << 1462309418.16830707 Pseudo density (6716.90178s) stopped
T12 >> 1462309418.16836691 Atomic density matrices (1740.27419s) started
T12 << 1462309421.51224208 Atomic density matrices (1743.61807s) stopped
T12 >> 1462309421.51227689 Multipole moments (6.14998s) started
T12 << 1462309421.52661610 Multipole moments (6.16432s) stopped
T12 >> 1462309421.52664709 Normalize (3.57300s) started
T12 << 1462309421.53279996 Normalize (3.57915s) stopped
T12 >> 1462309421.53290009 Mix (223.40943s) started
T12 << 1462309421.97187304 Mix (223.84840s) stopped
T12 << 1462309421.97193599 Density (8694.15340s) stopped
T12 >> 1462309421.97196507 Hamiltonian (25699.40013s) started
T12 >> 1462309421.97198009 vbar (14.18731s) started
T12 << 1462309421.99382091 vbar (14.20915s) stopped
T12 >> 1462309421.99393201 XC 3D grid (14949.02393s) started
T12 >> 1462309422.51207089 van der Waals (14439.87434s) started
T12 >> 1462309422.62130594 semilocal (3047.32082s) started
T12 << 1462309428.34831905 semilocal (3053.04784s) stopped
T12 >> 1462309428.42263603 redistribute (1563.31303s) started
T12 << 1462309429.46801305 redistribute (1564.35840s) stopped
T12 >> 1462309429.46807694 libvdwxc nonlocal (9728.50051s) started
T12 << 1462309448.10101795 libvdwxc nonlocal (9747.13345s) stopped
T12 >> 1462309448.10107803 redistribute (1564.35845s) started
T12 << 1462309449.76974297 redistribute (1566.02712s) stopped
T12 << 1462309449.77072811 van der Waals (14467.13300s) stopped
T12 << 1462309450.23696089 XC 3D grid (14977.26695s) stopped
T12 >> 1462309450.23702097 Poisson (3188.08282s) started
T12 << 1462309454.59131193 Poisson (3192.43711s) stopped
T12 >> 1462309454.59141707 Hartree integrate/restrict (195.85067s) started
T12 << 1462309454.64037609 Hartree integrate/restrict (195.89963s) stopped
T12 >> 1462309454.64041901 Hartree integrate/restrict (195.89966s) started
T12 << 1462309454.95138311 Hartree integrate/restrict (196.21062s) stopped
T12 >> 1462309454.95147896 Atomic (1262.36478s) started
T12 >> 1462309454.95330691 XC Correction (0.01738s) started
T12 << 1462309454.95333195 XC Correction (0.01740s) stopped
T12 << 1462309457.34310508 Atomic (1264.75641s) stopped
T12 >> 1462309457.34326100 Communicate (6089.67786s) started
T12 << 1462309473.69179797 Communicate (6106.02640s) stopped
T12 << 1462309473.69183707 Hamiltonian (25751.12001s) stopped
T12 >> 1462309473.69186211 LCAO eigensolver (36559.48486s) started
T12 >> 1462309473.69187593 Potential matrix (548.42288s) started
T12 << 1462309474.66052508 Potential matrix (549.39153s) stopped
T12 >> 1462309474.66058898 DistributedAtomicCorrection (225.78397s) started
T12 << 1462309475.10196900 DistributedAtomicCorrection (226.22535s) stopped
T12 >> 1462309475.10201597 Distribute overlap matrix (4157.67157s) started
T12 >> 1462309475.10205293 blocked summation (2322.73806s) started
T12 << 1462309479.58799100 blocked summation (2327.22400s) stopped
T12 >> 1462309479.59781504 Scalapack redistribute (1829.38063s) started
T12 << 1462309483.10947609 Scalapack redistribute (1832.89229s) stopped
T12 << 1462309483.10957289 Distribute overlap matrix (4165.67912s) stopped
T12 >> 1462309483.11379004 Blacs Orbital Layouts (30627.22596s) started
T12 >> 1462309483.12247491 General diagonalize (30502.53821s) started
T12 << 1462309535.32934999 General diagonalize (30554.74509s) stopped
T12 >> 1462309535.32942009 Redistribute coefs (4.63599s) started
T12 << 1462309535.33772397 Redistribute coefs (4.64429s) stopped
T12 >> 1462309535.33779407 Send coefs to domains (114.89890s) started
T12 << 1462309535.69719911 Send coefs to domains (115.25831s) stopped
T12 << 1462309535.69773698 Blacs Orbital Layouts (30679.80991s) stopped
T12 >> 1462309535.69776511 Calculate projections (997.60575s) started
T12 << 1462309537.46610188 Calculate projections (999.37408s) stopped
T12 << 1462309537.46628904 LCAO eigensolver (36623.25928s) stopped
T12 >> 1462309542.59169102 Density (8694.15342s) started
T12 >> 1462309542.59170604 Pseudo density (6716.90183s) started
T12 >> 1462309542.59564090 Calculate density matrix (6309.49174s) started
T12 << 1462309552.41274095 Calculate density matrix (6319.30884s) stopped
T12 >> 1462309552.41279292 Construct density (396.76800s) started
T12 << 1462309553.18507099 Construct density (397.54028s) stopped
T12 >> 1462309553.20034003 Symmetrize density (0.04520s) started
T12 << 1462309553.20040607 Symmetrize density (0.04526s) stopped
T12 << 1462309553.20242906 Pseudo density (6727.51255s) stopped
T12 >> 1462309553.20249104 Atomic density matrices (1743.61809s) started
T12 << 1462309556.61284304 Atomic density matrices (1747.02844s) stopped
T12 >> 1462309556.61287808 Multipole moments (6.16433s) started
T12 << 1462309556.62765503 Multipole moments (6.17911s) stopped
T12 >> 1462309556.62768602 Normalize (3.57924s) started
T12 << 1462309556.63420010 Normalize (3.58575s) stopped
T12 >> 1462309556.63429594 Mix (223.84847s) started
T12 << 1462309557.06116605 Mix (224.27534s) stopped
T12 << 1462309557.06122088 Density (8708.62295s) stopped
T12 >> 1462309557.06124711 Hamiltonian (25751.12002s) started
T12 >> 1462309557.06126189 vbar (14.20922s) started
T12 << 1462309557.08132505 vbar (14.22928s) stopped
T12 >> 1462309557.08143997 XC 3D grid (14977.26700s) started
T12 >> 1462309557.57445908 van der Waals (14467.13302s) started
T12 >> 1462309557.68115997 semilocal (3053.04794s) started
T12 << 1462309563.44410896 semilocal (3058.81089s) stopped
T12 >> 1462309563.53404188 redistribute (1566.02718s) started
T12 << 1462309564.54930711 redistribute (1567.04244s) stopped
T12 >> 1462309564.54937196 libvdwxc nonlocal (9747.13350s) started
T12 << 1462309582.94238901 libvdwxc nonlocal (9765.52651s) stopped
T12 >> 1462309582.94245100 redistribute (1567.04250s) started
T12 << 1462309584.68134999 redistribute (1568.78139s) stopped
T12 << 1462309584.68234396 van der Waals (14494.24091s) stopped
T12 << 1462309585.14878893 XC 3D grid (15005.33435s) stopped
T12 >> 1462309585.14885402 Poisson (3192.43720s) started
T12 << 1462309589.52142310 Poisson (3196.80976s) stopped
T12 >> 1462309589.52149796 Hartree integrate/restrict (196.21067s) started
T12 << 1462309589.56650400 Hartree integrate/restrict (196.25568s) stopped
T12 >> 1462309589.56658196 Hartree integrate/restrict (196.25573s) started
T12 << 1462309589.89418006 Hartree integrate/restrict (196.58333s) stopped
T12 >> 1462309589.89427805 Atomic (1264.75643s) started
T12 >> 1462309589.89602900 XC Correction (0.01741s) started
T12 << 1462309589.89604592 XC Correction (0.01743s) stopped
T12 << 1462309592.27784896 Atomic (1267.14000s) stopped
T12 >> 1462309592.27800202 Communicate (6106.02643s) started
T12 << 1462309608.56182790 Communicate (6122.31025s) stopped
T12 << 1462309608.56186390 Hamiltonian (25802.62063s) stopped
T12 >> 1462309608.56188893 LCAO eigensolver (36623.25930s) started
T12 >> 1462309608.56190205 Potential matrix (549.39156s) started
T12 << 1462309609.52698398 Potential matrix (550.35664s) stopped
T12 >> 1462309609.52705503 DistributedAtomicCorrection (226.22538s) started
T12 << 1462309609.97108293 DistributedAtomicCorrection (226.66941s) stopped
T12 >> 1462309609.97114611 Distribute overlap matrix (4165.67914s) started
T12 >> 1462309609.97116804 blocked summation (2327.22403s) started
T12 << 1462309614.45101500 blocked summation (2331.70387s) stopped
T12 >> 1462309614.46043396 Scalapack redistribute (1832.89235s) started
T12 << 1462309618.04009390 Scalapack redistribute (1836.47201s) stopped
T12 << 1462309618.04016304 Distribute overlap matrix (4173.74815s) stopped
T12 >> 1462309618.04416394 Blacs Orbital Layouts (30679.80993s) started
T12 >> 1462309618.05255103 General diagonalize (30554.74514s) started
T12 << 1462309673.02275991 General diagonalize (30609.71535s) stopped
T12 >> 1462309673.02282810 Redistribute coefs (4.64435s) started
T12 << 1462309673.03076100 Redistribute coefs (4.65228s) stopped
T12 >> 1462309673.03083611 Send coefs to domains (115.25834s) started
T12 << 1462309673.15760112 Send coefs to domains (115.38510s) stopped
T12 << 1462309673.15798402 Blacs Orbital Layouts (30734.92375s) stopped
T12 >> 1462309673.15801191 Calculate projections (999.37414s) started
T12 << 1462309674.92249107 Calculate projections (1001.13861s) stopped
T12 << 1462309674.92267704 LCAO eigensolver (36689.62009s) stopped
T12 >> 1462309678.10235190 Density (8708.62296s) started
T12 >> 1462309678.10236692 Pseudo density (6727.51260s) started
T12 >> 1462309678.10536194 Calculate density matrix (6319.30888s) started
T12 << 1462309689.97417593 Calculate density matrix (6331.17769s) stopped
T12 >> 1462309689.97422504 Construct density (397.54033s) started
T12 << 1462309690.74358797 Construct density (398.30969s) stopped
T12 >> 1462309690.75757003 Symmetrize density (0.04528s) started
T12 << 1462309690.75763392 Symmetrize density (0.04534s) stopped
T12 << 1462309690.75961208 Pseudo density (6740.16985s) stopped
T12 >> 1462309690.75966907 Atomic density matrices (1747.02847s) started
T12 << 1462309694.21729803 Atomic density matrices (1750.48610s) stopped
T12 >> 1462309694.21733093 Multipole moments (6.17913s) started
T12 << 1462309694.23190188 Multipole moments (6.19370s) stopped
T12 >> 1462309694.23193312 Normalize (3.58583s) started
T12 << 1462309694.23842907 Normalize (3.59232s) stopped
T12 >> 1462309694.23852992 Mix (224.27539s) started
T12 << 1462309694.64212394 Mix (224.67898s) stopped
T12 << 1462309694.64220905 Density (8725.16282s) stopped
T12 >> 1462309694.64224410 Hamiltonian (25802.62065s) started
T12 >> 1462309694.64226103 vbar (14.22934s) started
T12 << 1462309694.66469502 vbar (14.25178s) stopped
T12 >> 1462309694.66481304 XC 3D grid (15005.33441s) started
T12 >> 1462309695.23899698 van der Waals (14494.24093s) started
T12 >> 1462309695.34707808 semilocal (3058.81099s) started
T12 << 1462309701.10162497 semilocal (3064.56554s) stopped
T12 >> 1462309701.17918706 redistribute (1568.78145s) started
T12 << 1462309702.20616102 redistribute (1569.80842s) stopped
T12 >> 1462309702.20620394 libvdwxc nonlocal (9765.52656s) started
T12 << 1462309720.43754411 libvdwxc nonlocal (9783.75790s) stopped
T12 >> 1462309720.43760109 redistribute (1569.80846s) started
T12 << 1462309722.11738896 redistribute (1571.48824s) stopped
T12 << 1462309722.11839294 van der Waals (14521.12033s) stopped
T12 << 1462309722.58579397 XC 3D grid (15033.25539s) stopped
T12 >> 1462309722.58584094 Poisson (3196.80982s) started
T12 << 1462309725.58793998 Poisson (3199.81192s) stopped
T12 >> 1462309725.58801794 Hartree integrate/restrict (196.58338s) started
T12 << 1462309725.63161802 Hartree integrate/restrict (196.62698s) stopped
T12 >> 1462309725.63166809 Hartree integrate/restrict (196.62701s) started
T12 << 1462309726.01724291 Hartree integrate/restrict (197.01259s) stopped
T12 >> 1462309726.01735997 Atomic (1267.14002s) started
T12 >> 1462309726.01909208 XC Correction (0.01744s) started
T12 << 1462309726.01910710 XC Correction (0.01746s) stopped
T12 << 1462309728.38895011 Atomic (1269.51161s) stopped
T12 >> 1462309728.38909698 Communicate (6122.31028s) started
T12 << 1462309744.68846297 Communicate (6138.60964s) stopped
T12 << 1462309744.68849611 Hamiltonian (25852.66690s) stopped
T12 >> 1462309744.68851995 LCAO eigensolver (36689.62011s) started
T12 >> 1462309744.68853402 Potential matrix (550.35669s) started
T12 << 1462309745.66038394 Potential matrix (551.32854s) stopped
T12 >> 1462309745.66045403 DistributedAtomicCorrection (226.66945s) started
T12 << 1462309746.10373497 DistributedAtomicCorrection (227.11273s) stopped
T12 >> 1462309746.10380197 Distribute overlap matrix (4173.74817s) started
T12 >> 1462309746.10382509 blocked summation (2331.70390s) started
T12 << 1462309750.58520389 blocked summation (2336.18528s) stopped
T12 >> 1462309750.59426188 Scalapack redistribute (1836.47204s) started
T12 << 1462309754.15711689 Scalapack redistribute (1840.03490s) stopped
T12 << 1462309754.15721893 Distribute overlap matrix (4181.80158s) stopped
T12 >> 1462309754.16164994 Blacs Orbital Layouts (30734.92377s) started
T12 >> 1462309754.17053103 General diagonalize (30609.71541s) started
T12 << 1462309806.52251601 General diagonalize (30662.06739s) stopped
T12 >> 1462309806.52256298 Redistribute coefs (4.65234s) started
T12 << 1462309806.53028893 Redistribute coefs (4.66007s) stopped
T12 >> 1462309806.53037500 Send coefs to domains (115.38514s) started
T12 << 1462309806.71653104 Send coefs to domains (115.57129s) stopped
T12 << 1462309806.71694112 Blacs Orbital Layouts (30787.47906s) stopped
T12 >> 1462309806.71696901 Calculate projections (1001.13866s) started
T12 << 1462309808.48206210 Calculate projections (1002.90376s) stopped
T12 << 1462309808.48224902 LCAO eigensolver (36753.41384s) stopped
T12 << 1462309811.65847492 SCF-cycle (73148.68865s) stopped
T12 >> 1462309813.70529795 Force calculation (3214.81235s) started
T12 >> 1462309813.70537806 LCAO forces (3179.92383s) started
T12 >> 1462309813.70574999 Initial (0.00093s) started
T12 << 1462309813.70576096 Initial (0.00094s) stopped
T12 >> 1462309813.71252894 Get density matrix (1667.99196s) started
T12 << 1462309822.82507896 Get density matrix (1677.10451s) stopped
T12 >> 1462309822.82512999 Potential (251.65908s) started
T12 << 1462309828.97924709 Potential (257.81320s) stopped
T12 >> 1462309828.97930789 Get density matrix (1677.10455s) started
T12 << 1462309860.12625194 Get density matrix (1708.25150s) stopped
T12 >> 1462309860.12632298 Prepare TCI loop (88.38557s) started
T12 >> 1462309860.12695503 Get neighbors (79.56678s) started
T12 << 1462309862.11309290 Get neighbors (81.55292s) stopped
T12 >> 1462309862.11386204 broadcast dH (8.77282s) started
T12 << 1462309862.29768395 broadcast dH (8.95664s) stopped
T12 << 1462309862.29773092 Prepare TCI loop (90.55697s) stopped
T12 >> 1462309862.29775190 Not so complicated loop (4.87727s) started
T12 << 1462309862.42058396 Not so complicated loop (5.00010s) stopped
T12 >> 1462309862.54656291 Complicated loop (762.53203s) started
T12 << 1462309881.98294902 Complicated loop (781.96841s) stopped
T12 >> 1462309881.98390198 Wait for sum (399.23081s) started
T12 << 1462309892.07455492 Wait for sum (409.32146s) stopped
T12 << 1462309892.07461810 LCAO forces (3258.29307s) stopped
T12 << 1462309892.95488906 Force calculation (3294.06194s) stopped
T12 >> 1462309892.97288489 Initialization (5325.92021s) started
T12 << 1462309892.97305894 Initialization (5325.92038s) stopped
T12 >> 1462309892.97328305 Initialization (5325.92040s) started
T12 << 1462309892.97341990 Initialization (5325.92053s) stopped
T12 >> 1462309892.97356105 Initialization (5325.92055s) started
T12 << 1462309892.97369409 Initialization (5325.92068s) stopped
T12 >> 1462309913.30872107 Initialization (5325.92070s) started
T12 >> 1462309913.37699795 Basic WFS set positions (3.69678s) started
T12 >> 1462309913.37701988 Redistribute (0.01296s) started
T12 << 1462309913.37715101 Redistribute (0.01309s) stopped
T12 << 1462309913.46591210 Basic WFS set positions (3.78570s) stopped
T12 >> 1462309913.46593809 Basis functions set positions (76.63669s) started
T12 << 1462309915.34132290 Basis functions set positions (78.51208s) stopped
T12 >> 1462309915.34188604 TCI: Calculate S, T, P (638.94590s) started
T12 << 1462309931.00620103 TCI: Calculate S, T, P (654.61022s) stopped
T12 >> 1462309931.00625992 blocked summation (960.78744s) started
T12 << 1462309959.11619902 blocked summation (988.89738s) stopped
T12 >> 1462309959.12570405 Scalapack redistribute (374.88579s) started
T12 << 1462309967.36064792 Scalapack redistribute (383.12073s) stopped
T12 >> 1462309967.36174297 blocked summation (988.89742s) started
T12 << 1462309968.43405795 blocked summation (989.96974s) stopped
T12 >> 1462309968.44355798 Scalapack redistribute (383.12078s) started
T12 << 1462309968.64392805 Scalapack redistribute (383.32115s) stopped
T12 >> 1462309968.64638901 Redistribute (0.09991s) started
T12 << 1462309968.64693809 Redistribute (0.10046s) stopped
T12 >> 1462309970.34483600 Redistribute (0.10048s) started
T12 << 1462309970.34531307 Redistribute (0.10095s) stopped
T12 >> 1462309970.36225796 LCAO WFS Initialize (3187.35977s) started
T12 >> 1462309970.36233401 Density initialize from wavefunctions (601.13450s) started
T12 >> 1462309970.36645389 Calculate density matrix (416.56710s) started
T12 << 1462309981.28405190 Calculate density matrix (427.48470s) stopped
T12 >> 1462309981.28410912 Construct density (31.53712s) started
T12 << 1462309982.05419707 Construct density (32.30720s) stopped
T12 >> 1462309982.06824994 Symmetrize density (0.00342s) started
T12 << 1462309982.06831694 Symmetrize density (0.00349s) stopped
T12 << 1462309985.78766203 Density initialize from wavefunctions (616.55982s) stopped
T12 >> 1462309985.78804302 Hamiltonian (2585.29876s) started
T12 >> 1462309985.78806496 vbar (1.18793s) started
T12 << 1462309985.81379294 vbar (1.21366s) stopped
T12 >> 1462309985.81394601 XC 3D grid (1229.15985s) started
T12 >> 1462309986.31065392 van der Waals (1187.50356s) started
T12 >> 1462309986.42269492 semilocal (249.14354s) started
T12 << 1462309992.28686905 semilocal (255.00771s) stopped
T12 >> 1462309992.36336493 redistribute (138.08202s) started
T12 << 1462309993.32985592 redistribute (139.04851s) stopped
T12 >> 1462309993.32991505 libvdwxc nonlocal (792.03918s) started
T12 << 1462310011.33591509 libvdwxc nonlocal (810.04518s) stopped
T12 >> 1462310011.33599806 redistribute (139.04855s) started
T12 << 1462310013.41624498 redistribute (141.12880s) stopped
T12 << 1462310013.41729593 van der Waals (1214.61021s) stopped
T12 << 1462310013.87845492 XC 3D grid (1257.22436s) stopped
T12 >> 1462310013.87850404 Poisson (639.57228s) started
T12 << 1462310025.54066801 Poisson (651.23445s) stopped
T12 >> 1462310025.54075503 Hartree integrate/restrict (15.89741s) started
T12 << 1462310025.58113790 Hartree integrate/restrict (15.93780s) stopped
T12 >> 1462310025.58124089 Hartree integrate/restrict (15.93786s) started
T12 << 1462310025.93396711 Hartree integrate/restrict (16.29059s) stopped
T12 >> 1462310025.93406892 Atomic (101.79642s) started
T12 >> 1462310025.93623996 XC Correction (0.00163s) started
T12 << 1462310025.93625498 XC Correction (0.00164s) stopped
T12 << 1462310028.33047295 Atomic (104.19282s) stopped
T12 >> 1462310028.33066201 Communicate (597.64156s) started
T12 << 1462310046.13139009 Communicate (615.44229s) stopped
T12 << 1462310046.13141704 Hamiltonian (2645.64214s) stopped
T12 << 1462310046.13142991 LCAO WFS Initialize (3263.12894s) stopped
T12 << 1462310046.14353704 Initialization (5458.75551s) stopped
T12 >> 1462310046.17008090 SCF-cycle (73148.68867s) started
T12 >> 1462310046.17012000 LCAO eigensolver (36753.41385s) started
T12 >> 1462310046.17013311 Potential matrix (551.32858s) started
T12 << 1462310047.14560890 Potential matrix (552.30406s) stopped
T12 >> 1462310047.14568901 DistributedAtomicCorrection (227.11277s) started
T12 << 1462310047.57299805 DistributedAtomicCorrection (227.54008s) stopped
T12 >> 1462310047.57304692 Distribute overlap matrix (4181.80159s) started
T12 >> 1462310047.57308698 blocked summation (2336.18532s) started
T12 << 1462310051.98899198 blocked summation (2340.60123s) stopped
T12 >> 1462310051.99951601 Scalapack redistribute (1840.03496s) started
T12 << 1462310055.54220510 Scalapack redistribute (1843.57765s) stopped
T12 << 1462310055.54230595 Distribute overlap matrix (4189.77085s) stopped
T12 >> 1462310055.54708791 Blacs Orbital Layouts (30787.47908s) started
T12 >> 1462310055.55594301 General diagonalize (30662.06743s) started
T12 << 1462310111.59176898 General diagonalize (30718.10326s) stopped
T12 >> 1462310111.59182906 Redistribute coefs (4.66014s) started
T12 << 1462310111.60047102 Redistribute coefs (4.66878s) stopped
T12 >> 1462310111.60051894 Send coefs to domains (115.57132s) started
T12 << 1462310111.69720006 Send coefs to domains (115.66801s) stopped
T12 << 1462310111.69759893 Blacs Orbital Layouts (30843.62959s) stopped
T12 >> 1462310111.69762897 Calculate projections (1002.90381s) started
T12 << 1462310113.47454405 Calculate projections (1004.68072s) stopped
T12 << 1462310113.47495890 LCAO eigensolver (36820.71869s) stopped
T12 >> 1462310116.63394308 Density (8725.16283s) started
T12 >> 1462310116.63395905 Pseudo density (6740.16990s) started
T12 >> 1462310116.63713503 Calculate density matrix (6331.17772s) started
T12 << 1462310128.36042595 Calculate density matrix (6342.90101s) stopped
T12 >> 1462310128.36048293 Construct density (398.30975s) started
T12 << 1462310129.13064694 Construct density (399.07991s) stopped
T12 >> 1462310129.14459705 Symmetrize density (0.04536s) started
T12 << 1462310129.14467597 Symmetrize density (0.04544s) stopped
T12 << 1462310129.14669895 Pseudo density (6752.68264s) stopped
T12 >> 1462310129.14676809 Atomic density matrices (1750.48612s) started
T12 << 1462310132.63142991 Atomic density matrices (1753.97079s) stopped
T12 >> 1462310132.63146591 Multipole moments (6.19371s) started
T12 << 1462310132.64641190 Multipole moments (6.20866s) stopped
T12 >> 1462310132.64643502 Normalize (3.59240s) started
T12 << 1462310132.65258098 Normalize (3.59855s) stopped
T12 >> 1462310132.65266991 Mix (224.67907s) started
T12 << 1462310132.98569608 Mix (225.01209s) stopped
T12 << 1462310132.98578000 Density (8741.51467s) stopped
T12 >> 1462310132.98581910 Hamiltonian (25852.66691s) started
T12 >> 1462310132.98583698 vbar (14.25184s) started
T12 << 1462310133.00825191 vbar (14.27426s) stopped
T12 >> 1462310133.00833988 XC 3D grid (15033.25543s) started
T12 >> 1462310133.53717899 van der Waals (14521.12035s) started
T12 >> 1462310133.64861608 semilocal (3064.56564s) started
T12 << 1462310139.43652511 semilocal (3070.35355s) stopped
T12 >> 1462310139.51374006 redistribute (1571.48830s) started
T12 << 1462310140.50781894 redistribute (1572.48238s) stopped
T12 >> 1462310140.50786996 libvdwxc nonlocal (9783.75795s) started
T12 << 1462310158.54881907 libvdwxc nonlocal (9801.79890s) stopped
T12 >> 1462310158.54889989 redistribute (1572.48242s) started
T12 << 1462310160.57470202 redistribute (1574.50822s) stopped
T12 << 1462310160.57592392 van der Waals (14548.15910s) stopped
T12 << 1462310161.04358196 XC 3D grid (15061.29067s) stopped
T12 >> 1462310161.04363108 Poisson (3199.81198s) started
T12 << 1462310165.45475888 Poisson (3204.22311s) stopped
T12 >> 1462310165.45492005 Hartree integrate/restrict (197.01265s) started
T12 << 1462310165.49484992 Hartree integrate/restrict (197.05258s) stopped
T12 >> 1462310165.49494004 Hartree integrate/restrict (197.05263s) started
T12 << 1462310165.81954193 Hartree integrate/restrict (197.37723s) stopped
T12 >> 1462310165.81964993 Atomic (1269.51163s) started
T12 >> 1462310165.82168198 XC Correction (0.01747s) started
T12 << 1462310165.82169890 XC Correction (0.01748s) stopped
T12 << 1462310168.22043705 Atomic (1271.91242s) stopped
T12 >> 1462310168.22063708 Communicate (6138.60966s) started
T12 << 1462310186.03525209 Communicate (6156.42428s) stopped
T12 << 1462310186.03529000 Hamiltonian (25905.71638s) stopped
T12 >> 1462310186.03531599 LCAO eigensolver (36820.71871s) started
T12 >> 1462310186.03533006 Potential matrix (552.30410s) started
T12 << 1462310187.00674701 Potential matrix (553.27552s) stopped
T12 >> 1462310187.00682592 DistributedAtomicCorrection (227.54012s) started
T12 << 1462310187.44407701 DistributedAtomicCorrection (227.97737s) stopped
T12 >> 1462310187.44412589 Distribute overlap matrix (4189.77087s) started
T12 >> 1462310187.44414997 blocked summation (2340.60126s) started
T12 << 1462310191.88029003 blocked summation (2345.03740s) stopped
T12 >> 1462310191.88969898 Scalapack redistribute (1843.57771s) started
T12 << 1462310195.39125991 Scalapack redistribute (1847.07927s) stopped
T12 << 1462310195.39134789 Distribute overlap matrix (4197.71809s) stopped
T12 >> 1462310195.39504790 Blacs Orbital Layouts (30843.62961s) started
T12 >> 1462310195.40340590 General diagonalize (30718.10330s) started
T12 << 1462310250.81192994 General diagonalize (30773.51183s) stopped
T12 >> 1462310250.81202006 Redistribute coefs (4.66882s) started
T12 << 1462310250.82139206 Redistribute coefs (4.67819s) stopped
T12 >> 1462310250.82143998 Send coefs to domains (115.66804s) started
T12 << 1462310250.93551707 Send coefs to domains (115.78212s) stopped
T12 << 1462310250.93588710 Blacs Orbital Layouts (30899.17045s) stopped
T12 >> 1462310250.93591809 Calculate projections (1004.68078s) started
T12 << 1462310252.71295691 Calculate projections (1006.45782s) stopped
T12 << 1462310252.71335602 LCAO eigensolver (36887.39675s) stopped
T12 >> 1462310255.86230612 Density (8741.51469s) started
T12 >> 1462310255.86232209 Pseudo density (6752.68269s) started
T12 >> 1462310255.86523890 Calculate density matrix (6342.90105s) started
T12 << 1462310267.63603902 Calculate density matrix (6354.67185s) stopped
T12 >> 1462310267.63609695 Construct density (399.07997s) started
T12 << 1462310268.40553904 Construct density (399.84941s) stopped
T12 >> 1462310268.42029405 Symmetrize density (0.04546s) started
T12 << 1462310268.42037106 Symmetrize density (0.04554s) stopped
T12 << 1462310268.42238092 Pseudo density (6765.24275s) stopped
T12 >> 1462310268.42245102 Atomic density matrices (1753.97081s) started
T12 << 1462310271.83063793 Atomic density matrices (1757.37900s) stopped
T12 >> 1462310271.83067393 Multipole moments (6.20867s) started
T12 << 1462310271.84585309 Multipole moments (6.22385s) stopped
T12 >> 1462310271.84587693 Normalize (3.59862s) started
T12 << 1462310271.85206199 Normalize (3.60480s) stopped
T12 >> 1462310271.85212111 Mix (225.01217s) started
T12 << 1462310272.20741510 Mix (225.36747s) stopped
T12 << 1462310272.20748997 Density (8757.85987s) stopped
T12 >> 1462310272.20752096 Hamiltonian (25905.71640s) started
T12 >> 1462310272.20753598 vbar (14.27431s) started
T12 << 1462310272.22734690 vbar (14.29412s) stopped
T12 >> 1462310272.22742009 XC 3D grid (15061.29070s) started
T12 >> 1462310272.74069691 van der Waals (14548.15912s) started
T12 >> 1462310272.85305691 semilocal (3070.35362s) started
T12 << 1462310278.60490394 semilocal (3076.10546s) stopped
T12 >> 1462310278.68308997 redistribute (1574.50828s) started
T12 << 1462310279.71967602 redistribute (1575.54486s) stopped
T12 >> 1462310279.71972704 libvdwxc nonlocal (9801.79896s) started
T12 << 1462310298.22307801 libvdwxc nonlocal (9820.30231s) stopped
T12 >> 1462310298.22315192 redistribute (1575.54490s) started
T12 << 1462310300.38120008 redistribute (1577.70295s) stopped
T12 << 1462310300.38246894 van der Waals (14575.80089s) stopped
T12 << 1462310300.85245895 XC 3D grid (15089.91574s) stopped
T12 >> 1462310300.85251999 Poisson (3204.22325s) started
T12 << 1462310308.20167708 Poisson (3211.57240s) stopped
T12 >> 1462310308.20176697 Hartree integrate/restrict (197.37729s) started
T12 << 1462310308.24260306 Hartree integrate/restrict (197.41812s) stopped
T12 >> 1462310308.24270797 Hartree integrate/restrict (197.41819s) started
T12 << 1462310308.57008195 Hartree integrate/restrict (197.74556s) stopped
T12 >> 1462310308.57015896 Atomic (1271.91245s) started
T12 >> 1462310308.57199907 XC Correction (0.01750s) started
T12 << 1462310308.57201409 XC Correction (0.01751s) stopped
T12 << 1462310310.96150398 Atomic (1274.30379s) stopped
T12 >> 1462310310.96169710 Communicate (6156.42430s) started
T12 << 1462310328.83382893 Communicate (6174.29644s) stopped
T12 << 1462310328.83387089 Hamiltonian (25962.34275s) stopped
T12 >> 1462310328.83389711 LCAO eigensolver (36887.39677s) started
T12 >> 1462310328.83391094 Potential matrix (553.27556s) started
T12 << 1462310329.80005193 Potential matrix (554.24170s) stopped
T12 >> 1462310329.80013609 DistributedAtomicCorrection (227.97741s) started
T12 << 1462310330.23026705 DistributedAtomicCorrection (228.40754s) stopped
T12 >> 1462310330.23031592 Distribute overlap matrix (4197.71810s) started
T12 >> 1462310330.23035002 blocked summation (2345.03744s) started
T12 << 1462310334.67731690 blocked summation (2349.48440s) stopped
T12 >> 1462310334.68673491 Scalapack redistribute (1847.07932s) started
T12 << 1462310338.15594292 Scalapack redistribute (1850.54853s) stopped
T12 << 1462310338.15605497 Distribute overlap matrix (4205.64384s) stopped
T12 >> 1462310338.16020012 Blacs Orbital Layouts (30899.17047s) started
T12 >> 1462310338.16884995 General diagonalize (30773.51190s) started
T12 << 1462310392.38300896 General diagonalize (30827.72606s) stopped
T12 >> 1462310392.38306499 Redistribute coefs (4.67823s) started
T12 << 1462310392.39185190 Redistribute coefs (4.68701s) stopped
T12 >> 1462310392.39190102 Send coefs to domains (115.78216s) started
T12 << 1462310392.83669996 Send coefs to domains (116.22696s) stopped
T12 << 1462310392.83711004 Blacs Orbital Layouts (30953.84738s) stopped
T12 >> 1462310392.83714008 Calculate projections (1006.45787s) started
T12 << 1462310394.60542011 Calculate projections (1008.22615s) stopped
T12 << 1462310394.60565901 LCAO eigensolver (36953.16854s) stopped
T12 >> 1462310397.80065203 Density (8757.85988s) started
T12 >> 1462310397.80066705 Pseudo density (6765.24280s) started
T12 >> 1462310397.80367589 Calculate density matrix (6354.67189s) started
T12 << 1462310409.56585193 Calculate density matrix (6366.43407s) stopped
T12 >> 1462310409.56589890 Construct density (399.84947s) started
T12 << 1462310410.33434606 Construct density (400.61792s) stopped
T12 >> 1462310410.35065007 Symmetrize density (0.04556s) started
T12 << 1462310410.35071898 Symmetrize density (0.04563s) stopped
T12 << 1462310410.35318899 Pseudo density (6777.79533s) stopped
T12 >> 1462310410.35324788 Atomic density matrices (1757.37903s) started
T12 << 1462310413.73260808 Atomic density matrices (1760.75839s) stopped
T12 >> 1462310413.73264003 Multipole moments (6.22387s) started
T12 << 1462310413.74765205 Multipole moments (6.23888s) stopped
T12 >> 1462310413.74767590 Normalize (3.60485s) started
T12 << 1462310413.75431895 Normalize (3.61149s) stopped
T12 >> 1462310413.75435805 Mix (225.36754s) started
T12 << 1462310414.15288997 Mix (225.76607s) stopped
T12 << 1462310414.15296698 Density (8774.21220s) stopped
T12 >> 1462310414.15299606 Hamiltonian (25962.34276s) started
T12 >> 1462310414.15301204 vbar (14.29415s) started
T12 << 1462310414.17424798 vbar (14.31539s) stopped
T12 >> 1462310414.17432094 XC 3D grid (15089.91579s) started
T12 >> 1462310414.69413209 van der Waals (14575.80092s) started
T12 >> 1462310414.80667496 semilocal (3076.10556s) started
T12 << 1462310420.53633499 semilocal (3081.83522s) stopped
T12 >> 1462310420.62027502 redistribute (1577.70301s) started
T12 << 1462310421.69040895 redistribute (1578.77314s) stopped
T12 >> 1462310421.69045401 libvdwxc nonlocal (9820.30236s) started
T12 << 1462310439.78126192 libvdwxc nonlocal (9838.39317s) stopped
T12 >> 1462310439.78132701 redistribute (1578.77318s) started
T12 << 1462310441.57731795 redistribute (1580.56917s) stopped
T12 << 1462310441.57822895 van der Waals (14602.68502s) stopped
T12 << 1462310442.04343390 XC 3D grid (15117.78490s) stopped
T12 >> 1462310442.04349399 Poisson (3211.57247s) started
T12 << 1462310447.96838999 Poisson (3217.49736s) stopped
T12 >> 1462310447.96848893 Hartree integrate/restrict (197.74560s) started
T12 << 1462310448.01311803 Hartree integrate/restrict (197.79023s) stopped
T12 >> 1462310448.01321411 Hartree integrate/restrict (197.79029s) started
T12 << 1462310448.33997393 Hartree integrate/restrict (198.11705s) stopped
T12 >> 1462310448.34009409 Atomic (1274.30382s) started
T12 >> 1462310448.34295607 XC Correction (0.01752s) started
T12 << 1462310448.34300590 XC Correction (0.01757s) stopped
T12 << 1462310450.72240400 Atomic (1276.68613s) stopped
T12 >> 1462310450.72257090 Communicate (6174.29646s) started
T12 << 1462310468.50792909 Communicate (6192.08182s) stopped
T12 << 1462310468.50796700 Hamiltonian (26016.69773s) stopped
T12 >> 1462310468.50799298 LCAO eigensolver (36953.16855s) started
T12 >> 1462310468.50800610 Potential matrix (554.24174s) started
T12 << 1462310469.48498607 Potential matrix (555.21872s) stopped
T12 >> 1462310469.48504591 DistributedAtomicCorrection (228.40758s) started
T12 << 1462310469.90809107 DistributedAtomicCorrection (228.83062s) stopped
T12 >> 1462310469.90813804 Distribute overlap matrix (4205.64385s) started
T12 >> 1462310469.90816808 blocked summation (2349.48444s) started
T12 << 1462310474.32246804 blocked summation (2353.89874s) stopped
T12 >> 1462310474.33212805 Scalapack redistribute (1850.54859s) started
T12 << 1462310477.91278195 Scalapack redistribute (1854.12924s) stopped
T12 << 1462310477.91288304 Distribute overlap matrix (4213.64860s) stopped
T12 >> 1462310477.91749191 Blacs Orbital Layouts (30953.84740s) started
T12 >> 1462310477.92642212 General diagonalize (30827.72610s) started
T12 << 1462310533.29940510 General diagonalize (30883.09909s) stopped
T12 >> 1462310533.29947305 Redistribute coefs (4.68705s) started
T12 << 1462310533.30790305 Redistribute coefs (4.69548s) stopped
T12 >> 1462310533.30794406 Send coefs to domains (116.22700s) started
T12 << 1462310533.46149206 Send coefs to domains (116.38054s) stopped
T12 << 1462310533.46193600 Blacs Orbital Layouts (31009.39184s) stopped
T12 >> 1462310533.46196389 Calculate projections (1008.22620s) started
T12 << 1462310535.23101592 Calculate projections (1009.99526s) stopped
T12 << 1462310535.23137689 LCAO eigensolver (37019.89194s) stopped
T12 >> 1462310538.43468690 Density (8774.21221s) started
T12 >> 1462310538.43470192 Pseudo density (6777.79537s) started
T12 >> 1462310538.43770289 Calculate density matrix (6366.43410s) started
T12 << 1462310550.14094400 Calculate density matrix (6378.13734s) stopped
T12 >> 1462310550.14099312 Construct density (400.61797s) started
T12 << 1462310550.91098404 Construct density (401.38796s) stopped
T12 >> 1462310550.92712498 Symmetrize density (0.04564s) started
T12 << 1462310550.92719412 Symmetrize density (0.04571s) stopped
T12 << 1462310550.92963409 Pseudo density (6790.29031s) stopped
T12 >> 1462310550.92969298 Atomic density matrices (1760.75841s) started
T12 << 1462310554.29481101 Atomic density matrices (1764.12353s) stopped
T12 >> 1462310554.29484296 Multipole moments (6.23890s) started
T12 << 1462310554.30916595 Multipole moments (6.25322s) stopped
T12 >> 1462310554.30919909 Normalize (3.61152s) started
T12 << 1462310554.31602502 Normalize (3.61834s) stopped
T12 >> 1462310554.31607199 Mix (225.76614s) started
T12 << 1462310554.76244998 Mix (226.21252s) stopped
T12 << 1462310554.76251507 Density (8790.54004s) stopped
T12 >> 1462310554.76254511 Hamiltonian (26016.69775s) started
T12 >> 1462310554.76256108 vbar (14.31543s) started
T12 << 1462310554.79275799 vbar (14.34563s) stopped
T12 >> 1462310554.79283094 XC 3D grid (15117.78495s) started
T12 >> 1462310555.26429105 van der Waals (14602.68505s) started
T12 >> 1462310555.37958288 semilocal (3081.83531s) started
T12 << 1462310561.20039511 semilocal (3087.65612s) stopped
T12 >> 1462310561.27446198 redistribute (1580.56923s) started
T12 << 1462310562.25386095 redistribute (1581.54863s) stopped
T12 >> 1462310562.25390410 libvdwxc nonlocal (9838.39322s) started
T12 << 1462310580.82564807 libvdwxc nonlocal (9856.96496s) stopped
T12 >> 1462310580.82570696 redistribute (1581.54866s) started
T12 << 1462310582.62513900 redistribute (1583.34809s) stopped
T12 << 1462310582.62611008 van der Waals (14630.04687s) stopped
T12 << 1462310583.09397292 XC 3D grid (15146.08609s) stopped
T12 >> 1462310583.09403491 Poisson (3217.49744s) started
T12 << 1462310587.44861507 Poisson (3221.85202s) stopped
T12 >> 1462310587.44875193 Hartree integrate/restrict (198.11710s) started
T12 << 1462310587.49262500 Hartree integrate/restrict (198.16097s) stopped
T12 >> 1462310587.49271894 Hartree integrate/restrict (198.16104s) started
T12 << 1462310587.84678507 Hartree integrate/restrict (198.51510s) stopped
T12 >> 1462310587.84685898 Atomic (1276.68615s) started
T12 >> 1462310587.84853911 XC Correction (0.01759s) started
T12 << 1462310587.84855294 XC Correction (0.01760s) stopped
T12 << 1462310590.23592305 Atomic (1279.07522s) stopped
T12 >> 1462310590.23609304 Communicate (6192.08185s) started
T12 << 1462310607.00549006 Communicate (6208.85125s) stopped
T12 << 1462310607.00553012 Hamiltonian (26068.94073s) stopped
T12 >> 1462310607.00555611 LCAO eigensolver (37019.89196s) started
T12 >> 1462310607.00556898 Potential matrix (555.21876s) started
T12 << 1462310607.98556495 Potential matrix (556.19875s) stopped
T12 >> 1462310607.98564911 DistributedAtomicCorrection (228.83066s) started
T12 << 1462310608.42417598 DistributedAtomicCorrection (229.26919s) stopped
T12 >> 1462310608.42422509 Distribute overlap matrix (4213.64861s) started
T12 >> 1462310608.42425489 blocked summation (2353.89877s) started
T12 << 1462310612.83926392 blocked summation (2358.31378s) stopped
T12 >> 1462310612.84929109 Scalapack redistribute (1854.12930s) started
T12 << 1462310616.46384597 Scalapack redistribute (1857.74385s) stopped
T12 << 1462310616.46394801 Distribute overlap matrix (4221.68834s) stopped
T12 >> 1462310616.46878600 Blacs Orbital Layouts (31009.39186s) started
T12 >> 1462310616.47737408 General diagonalize (30883.09915s) started
T12 << 1462310672.07464910 General diagonalize (30938.69642s) stopped
T12 >> 1462310672.07469511 Redistribute coefs (4.69551s) started
T12 << 1462310672.08309889 Redistribute coefs (4.70392s) stopped
T12 >> 1462310672.08314109 Send coefs to domains (116.38058s) started
T12 << 1462310672.23138094 Send coefs to domains (116.52882s) stopped
T12 << 1462310672.23171997 Blacs Orbital Layouts (31065.15480s) stopped
T12 >> 1462310672.23174691 Calculate projections (1009.99531s) started
T12 << 1462310674.00070000 Calculate projections (1011.76426s) stopped
T12 << 1462310674.00107503 LCAO eigensolver (37086.88748s) stopped
T12 >> 1462310677.17508793 Density (8790.54006s) started
T12 >> 1462310677.17510200 Pseudo density (6790.29035s) started
T12 >> 1462310677.17800593 Calculate density matrix (6378.13737s) started
T12 << 1462310689.02511311 Calculate density matrix (6389.98448s) stopped
T12 >> 1462310689.02516198 Construct density (401.38801s) started
T12 << 1462310689.79382300 Construct density (402.15667s) stopped
T12 >> 1462310689.81011391 Symmetrize density (0.04573s) started
T12 << 1462310689.81018090 Symmetrize density (0.04580s) stopped
T12 << 1462310689.81260395 Pseudo density (6802.92785s) stopped
T12 >> 1462310689.81266403 Atomic density matrices (1764.12356s) started
T12 << 1462310693.23918509 Atomic density matrices (1767.55008s) stopped
T12 >> 1462310693.23921800 Multipole moments (6.25324s) started
T12 << 1462310693.25362492 Multipole moments (6.26764s) stopped
T12 >> 1462310693.25365710 Normalize (3.61838s) started
T12 << 1462310693.26016092 Normalize (3.62488s) stopped
T12 >> 1462310693.26020408 Mix (226.21259s) started
T12 << 1462310693.71866393 Mix (226.67105s) stopped
T12 << 1462310693.71874309 Density (8807.08371s) stopped
T12 >> 1462310693.71877694 Hamiltonian (26068.94074s) started
T12 >> 1462310693.71879196 vbar (14.34567s) started
T12 << 1462310693.74654007 vbar (14.37342s) stopped
T12 >> 1462310693.74659395 XC 3D grid (15146.08614s) started
T12 >> 1462310694.26617408 van der Waals (14630.04690s) started
T12 >> 1462310694.37970209 semilocal (3087.65622s) started
T12 << 1462310700.19240499 semilocal (3093.46892s) stopped
T12 >> 1462310700.26687407 redistribute (1583.34813s) started
T12 << 1462310701.24990106 redistribute (1584.33115s) stopped
T12 >> 1462310701.24994493 libvdwxc nonlocal (9856.96501s) started
T12 << 1462310719.85950494 libvdwxc nonlocal (9875.57457s) stopped
T12 >> 1462310719.85957003 redistribute (1584.33119s) started
T12 << 1462310721.56583500 redistribute (1586.03745s) stopped
T12 << 1462310721.56698108 van der Waals (14657.34770s) stopped
T12 << 1462310722.03120089 XC 3D grid (15174.37075s) stopped
T12 >> 1462310722.03124189 Poisson (3221.85213s) started
T12 << 1462310727.90111804 Poisson (3227.72201s) stopped
T12 >> 1462310727.90119100 Hartree integrate/restrict (198.51514s) started
T12 << 1462310727.94630289 Hartree integrate/restrict (198.56025s) stopped
T12 >> 1462310727.94639301 Hartree integrate/restrict (198.56031s) started
T12 << 1462310728.23826504 Hartree integrate/restrict (198.85218s) stopped
T12 >> 1462310728.23835301 Atomic (1279.07524s) started
T12 >> 1462310728.24013400 XC Correction (0.01761s) started
T12 << 1462310728.24014807 XC Correction (0.01763s) stopped
T12 << 1462310730.64302802 Atomic (1281.47991s) stopped
T12 >> 1462310730.64319301 Communicate (6208.85127s) started
T12 << 1462310746.77857399 Communicate (6224.98665s) stopped
T12 << 1462310746.77861404 Hamiltonian (26122.00058s) stopped
T12 >> 1462310746.77864003 LCAO eigensolver (37086.88750s) started
T12 >> 1462310746.77865291 Potential matrix (556.19880s) started
T12 << 1462310747.74429393 Potential matrix (557.16444s) stopped
T12 >> 1462310747.74438405 DistributedAtomicCorrection (229.26923s) started
T12 << 1462310748.18129992 DistributedAtomicCorrection (229.70615s) stopped
T12 >> 1462310748.18136096 Distribute overlap matrix (4221.68835s) started
T12 >> 1462310748.18138289 blocked summation (2358.31381s) started
T12 << 1462310752.73477793 blocked summation (2362.86721s) stopped
T12 >> 1462310752.74478006 Scalapack redistribute (1857.74391s) started
T12 << 1462310756.12208390 Scalapack redistribute (1861.12121s) stopped
T12 << 1462310756.12220001 Distribute overlap matrix (4229.62919s) stopped
T12 >> 1462310756.12688804 Blacs Orbital Layouts (31065.15481s) started
T12 >> 1462310756.13591409 General diagonalize (30938.69646s) started
T12 << 1462310811.74804711 General diagonalize (30994.30859s) stopped
T12 >> 1462310811.74809194 Redistribute coefs (4.70395s) started
T12 << 1462310811.75651407 Redistribute coefs (4.71237s) stopped
T12 >> 1462310811.75655603 Send coefs to domains (116.52885s) started
T12 << 1462310812.08317900 Send coefs to domains (116.85547s) stopped
T12 << 1462310812.08371210 Blacs Orbital Layouts (31121.11164s) stopped
T12 >> 1462310812.08374095 Calculate projections (1011.76431s) started
T12 << 1462310813.85291195 Calculate projections (1013.53348s) stopped
T12 << 1462310813.85324097 LCAO eigensolver (37153.96210s) stopped
T12 >> 1462310817.04552507 Density (8807.08373s) started
T12 >> 1462310817.04554009 Pseudo density (6802.92790s) started
T12 >> 1462310817.04884601 Calculate density matrix (6389.98451s) started
T12 << 1462310828.70598793 Calculate density matrix (6401.64165s) stopped
T12 >> 1462310828.70603704 Construct density (402.15672s) started
T12 << 1462310829.47406197 Construct density (402.92475s) stopped
T12 >> 1462310829.49026608 Symmetrize density (0.04581s) started
T12 << 1462310829.49033403 Symmetrize density (0.04588s) stopped
T12 << 1462310829.49276495 Pseudo density (6815.37513s) stopped
T12 >> 1462310829.49282694 Atomic density matrices (1767.55010s) started
T12 << 1462310832.89264798 Atomic density matrices (1770.94992s) stopped
T12 >> 1462310832.89268208 Multipole moments (6.26766s) started
T12 << 1462310832.90777612 Multipole moments (6.28276s) stopped
T12 >> 1462310832.90782690 Normalize (3.62491s) started
T12 << 1462310832.91434407 Normalize (3.63143s) stopped
T12 >> 1462310832.91438508 Mix (226.67112s) started
T12 << 1462310833.33545995 Mix (227.09220s) stopped
T12 << 1462310833.33551693 Density (8823.37372s) stopped
T12 >> 1462310833.33554196 Hamiltonian (26122.00059s) started
T12 >> 1462310833.33555603 vbar (14.37345s) started
T12 << 1462310833.35732388 vbar (14.39521s) stopped
T12 >> 1462310833.35742211 XC 3D grid (15174.37078s) started
T12 >> 1462310833.90039992 van der Waals (14657.34772s) started
T12 >> 1462310834.01181793 semilocal (3093.46902s) started
T12 << 1462310839.74732208 semilocal (3099.20453s) stopped
T12 >> 1462310839.81920910 redistribute (1586.03751s) started
T12 << 1462310840.85639405 redistribute (1587.07470s) stopped
T12 >> 1462310840.85645604 libvdwxc nonlocal (9875.57462s) started
T12 << 1462310859.07560301 libvdwxc nonlocal (9893.79377s) stopped
T12 >> 1462310859.07567000 redistribute (1587.07474s) started
T12 << 1462310861.01247692 redistribute (1589.01155s) stopped
T12 << 1462310861.01349998 van der Waals (14684.46082s) stopped
T12 << 1462310861.48327208 XC 3D grid (15202.49663s) stopped
T12 >> 1462310861.48333597 Poisson (3227.72206s) started
T12 << 1462310865.88860703 Poisson (3232.12733s) stopped
T12 >> 1462310865.88874412 Hartree integrate/restrict (198.85223s) started
T12 << 1462310865.93232799 Hartree integrate/restrict (198.89581s) stopped
T12 >> 1462310865.93243003 Hartree integrate/restrict (198.89588s) started
T12 << 1462310866.24912500 Hartree integrate/restrict (199.21258s) stopped
T12 >> 1462310866.24922705 Atomic (1281.47994s) started
T12 >> 1462310866.25097203 XC Correction (0.01764s) started
T12 << 1462310866.25098610 XC Correction (0.01765s) stopped
T12 << 1462310868.62865400 Atomic (1283.85936s) stopped
T12 >> 1462310868.62881303 Communicate (6224.98668s) started
T12 << 1462310885.21833491 Communicate (6241.57620s) stopped
T12 << 1462310885.21837401 Hamiltonian (26173.88343s) stopped
T12 >> 1462310885.21840000 LCAO eigensolver (37153.96211s) started
T12 >> 1462310885.21841311 Potential matrix (557.16450s) started
T12 << 1462310886.19108796 Potential matrix (558.13717s) stopped
T12 >> 1462310886.19114590 DistributedAtomicCorrection (229.70618s) started
T12 << 1462310886.62031007 DistributedAtomicCorrection (230.13535s) stopped
T12 >> 1462310886.62037110 Distribute overlap matrix (4229.62920s) started
T12 >> 1462310886.62039304 blocked summation (2362.86724s) started
T12 << 1462310891.11157894 blocked summation (2367.35843s) stopped
T12 >> 1462310891.12180090 Scalapack redistribute (1861.12128s) started
T12 << 1462310894.51641393 Scalapack redistribute (1864.51589s) stopped
T12 << 1462310894.51651812 Distribute overlap matrix (4237.52535s) stopped
T12 >> 1462310894.52096796 Blacs Orbital Layouts (31121.11166s) started
T12 >> 1462310894.52979994 General diagonalize (30994.30863s) started
T12 << 1462310948.77280402 General diagonalize (31048.55163s) stopped
T12 >> 1462310948.77285194 Redistribute coefs (4.71240s) started
T12 << 1462310948.78110290 Redistribute coefs (4.72065s) stopped
T12 >> 1462310948.78116894 Send coefs to domains (116.85551s) started
T12 << 1462310948.96811700 Send coefs to domains (117.04246s) stopped
T12 << 1462310948.96862888 Blacs Orbital Layouts (31175.55932s) stopped
T12 >> 1462310948.96865702 Calculate projections (1013.53353s) started
T12 << 1462310950.73763394 Calculate projections (1015.30251s) stopped
T12 << 1462310950.73802400 LCAO eigensolver (37219.48174s) stopped
T12 >> 1462310953.93077397 Density (8823.37373s) started
T12 >> 1462310953.93078899 Pseudo density (6815.37518s) started
T12 >> 1462310953.93455195 Calculate density matrix (6401.64169s) started
T12 << 1462310965.67446208 Calculate density matrix (6413.38160s) stopped
T12 >> 1462310965.67451096 Construct density (402.92480s) started
T12 << 1462310966.44500899 Construct density (403.69530s) stopped
T12 >> 1462310966.46149397 Symmetrize density (0.04590s) started
T12 << 1462310966.46156001 Symmetrize density (0.04596s) stopped
T12 << 1462310966.46400499 Pseudo density (6827.90840s) stopped
T12 >> 1462310966.46406507 Atomic density matrices (1770.94995s) started
T12 << 1462310969.84245801 Atomic density matrices (1774.32834s) stopped
T12 >> 1462310969.84249091 Multipole moments (6.28277s) started
T12 << 1462310969.85746598 Multipole moments (6.29775s) stopped
T12 >> 1462310969.85749602 Normalize (3.63146s) started
T12 << 1462310969.86660290 Normalize (3.64057s) stopped
T12 >> 1462310969.86664891 Mix (227.09225s) started
T12 << 1462310970.35625291 Mix (227.58186s) stopped
T12 << 1462310970.35632610 Density (8839.79928s) stopped
T12 >> 1462310970.35635710 Hamiltonian (26173.88344s) started
T12 >> 1462310970.35637498 vbar (14.39527s) started
T12 << 1462310970.37967491 vbar (14.41857s) stopped
T12 >> 1462310970.37976909 XC 3D grid (15202.49669s) started
T12 >> 1462310970.89799094 van der Waals (14684.46085s) started
T12 >> 1462310971.01123405 semilocal (3099.20465s) started
T12 << 1462310976.81973004 semilocal (3105.01315s) stopped
T12 >> 1462310976.89516211 redistribute (1589.01161s) started
T12 << 1462310977.87633491 redistribute (1589.99278s) stopped
T12 >> 1462310977.87637806 libvdwxc nonlocal (9893.79382s) started
T12 << 1462310996.48262000 libvdwxc nonlocal (9912.40006s) stopped
T12 >> 1462310996.48268509 redistribute (1589.99281s) started
T12 << 1462310998.20344996 redistribute (1591.71358s) stopped
T12 << 1462310998.20439792 van der Waals (14711.76726s) stopped
T12 << 1462310998.67206502 XC 3D grid (15230.78898s) stopped
T12 >> 1462310998.67210698 Poisson (3232.12744s) started
T12 << 1462311003.09025693 Poisson (3236.54559s) stopped
T12 >> 1462311003.09032297 Hartree integrate/restrict (199.21263s) started
T12 << 1462311003.14147091 Hartree integrate/restrict (199.26378s) stopped
T12 >> 1462311003.14151502 Hartree integrate/restrict (199.26380s) started
T12 << 1462311003.52108908 Hartree integrate/restrict (199.64338s) stopped
T12 >> 1462311003.52118993 Atomic (1283.85939s) started
T12 >> 1462311003.52295709 XC Correction (0.01766s) started
T12 << 1462311003.52297211 XC Correction (0.01768s) stopped
T12 << 1462311005.89762712 Atomic (1286.23582s) stopped
T12 >> 1462311005.89777899 Communicate (6241.57623s) started
T12 << 1462311022.34327006 Communicate (6258.02172s) stopped
T12 << 1462311022.34330893 Hamiltonian (26225.87039s) stopped
T12 >> 1462311022.34333396 LCAO eigensolver (37219.48176s) started
T12 >> 1462311022.34334707 Potential matrix (558.13720s) started
T12 << 1462311023.31878495 Potential matrix (559.11264s) stopped
T12 >> 1462311023.31887102 DistributedAtomicCorrection (230.13539s) started
T12 << 1462311023.75849795 DistributedAtomicCorrection (230.57501s) stopped
T12 >> 1462311023.75855994 Distribute overlap matrix (4237.52536s) started
T12 >> 1462311023.75858092 blocked summation (2367.35846s) started
T12 << 1462311028.24301004 blocked summation (2371.84289s) stopped
T12 >> 1462311028.25284410 Scalapack redistribute (1864.51595s) started
T12 << 1462311031.84506011 Scalapack redistribute (1868.10817s) stopped
T12 << 1462311031.84516501 Distribute overlap matrix (4245.61196s) stopped
T12 >> 1462311031.84965110 Blacs Orbital Layouts (31175.55934s) started
T12 >> 1462311031.85825396 General diagonalize (31048.55167s) started
T12 << 1462311084.94012094 General diagonalize (31101.63354s) stopped
T12 >> 1462311084.94017005 Redistribute coefs (4.72071s) started
T12 << 1462311084.94865704 Redistribute coefs (4.72920s) stopped
T12 >> 1462311084.94869804 Send coefs to domains (117.04249s) started
T12 << 1462311085.43438292 Send coefs to domains (117.52818s) stopped
T12 << 1462311085.43480301 Blacs Orbital Layouts (31229.14449s) stopped
T12 >> 1462311085.43482995 Calculate projections (1015.30257s) started
T12 << 1462311087.20769191 Calculate projections (1017.07543s) stopped
T12 << 1462311087.20805097 LCAO eigensolver (37284.34647s) stopped
T12 >> 1462311090.39586091 Density (8839.79930s) started
T12 >> 1462311090.39587498 Pseudo density (6827.90844s) started
T12 >> 1462311090.39892912 Calculate density matrix (6413.38163s) started
T12 << 1462311102.14116096 Calculate density matrix (6425.12386s) stopped
T12 >> 1462311102.14120793 Construct density (403.69535s) started
T12 << 1462311102.91131902 Construct density (404.46546s) stopped
T12 >> 1462311102.92769909 Symmetrize density (0.04598s) started
T12 << 1462311102.92776299 Symmetrize density (0.04604s) stopped
T12 << 1462311102.93019295 Pseudo density (6840.44276s) stopped
T12 >> 1462311102.93025208 Atomic density matrices (1774.32837s) started
T12 << 1462311106.26019812 Atomic density matrices (1777.65831s) stopped
T12 >> 1462311106.26023197 Multipole moments (6.29776s) started
T12 << 1462311106.27533197 Multipole moments (6.31286s) stopped
T12 >> 1462311106.27536201 Normalize (3.64060s) started
T12 << 1462311106.28318095 Normalize (3.64842s) stopped
T12 >> 1462311106.28322506 Mix (227.58193s) started
T12 << 1462311106.75876808 Mix (228.05747s) stopped
T12 << 1462311106.75882912 Density (8856.16227s) stopped
T12 >> 1462311106.75885510 Hamiltonian (26225.87040s) started
T12 >> 1462311106.75886798 vbar (14.41863s) started
T12 << 1462311106.78042293 vbar (14.44018s) stopped
T12 >> 1462311106.78052211 XC 3D grid (15230.78901s) started
T12 >> 1462311107.27332902 van der Waals (14711.76729s) started
T12 >> 1462311107.38607693 semilocal (3105.01324s) started
T12 << 1462311113.25329304 semilocal (3110.88046s) stopped
T12 >> 1462311113.32941890 redistribute (1591.71363s) started
T12 << 1462311114.27928996 redistribute (1592.66350s) stopped
T12 >> 1462311114.27933311 libvdwxc nonlocal (9912.40011s) started
T12 << 1462311132.61477494 libvdwxc nonlocal (9930.73555s) stopped
T12 >> 1462311132.61485410 redistribute (1592.66353s) started
T12 << 1462311134.34317493 redistribute (1594.39185s) stopped
T12 << 1462311134.34411192 van der Waals (14738.83807s) stopped
T12 << 1462311134.80588889 XC 3D grid (15258.81438s) stopped
T12 >> 1462311134.80594707 Poisson (3236.54564s) started
T12 << 1462311139.19906497 Poisson (3240.93876s) stopped
T12 >> 1462311139.19913793 Hartree integrate/restrict (199.64343s) started
T12 << 1462311139.24287701 Hartree integrate/restrict (199.68717s) stopped
T12 >> 1462311139.24292898 Hartree integrate/restrict (199.68720s) started
T12 << 1462311139.65264297 Hartree integrate/restrict (200.09691s) stopped
T12 >> 1462311139.65274096 Atomic (1286.23585s) started
T12 >> 1462311139.65446806 XC Correction (0.01769s) started
T12 << 1462311139.65448189 XC Correction (0.01770s) stopped
T12 << 1462311142.03994894 Atomic (1288.62305s) stopped
T12 >> 1462311142.04009295 Communicate (6258.02174s) started
T12 << 1462311158.45736408 Communicate (6274.43902s) stopped
T12 << 1462311158.45740294 Hamiltonian (26277.56895s) stopped
T12 >> 1462311158.45742893 LCAO eigensolver (37284.34649s) started
T12 >> 1462311158.45744205 Potential matrix (559.11269s) started
T12 << 1462311159.43646097 Potential matrix (560.09171s) stopped
T12 >> 1462311159.43652511 DistributedAtomicCorrection (230.57505s) started
T12 << 1462311159.87103796 DistributedAtomicCorrection (231.00957s) stopped
T12 >> 1462311159.87109900 Distribute overlap matrix (4245.61198s) started
T12 >> 1462311159.87111998 blocked summation (2371.84292s) started
T12 << 1462311164.35669494 blocked summation (2376.32849s) stopped
T12 >> 1462311164.36665702 Scalapack redistribute (1868.10823s) started
T12 << 1462311167.82393789 Scalapack redistribute (1871.56551s) stopped
T12 << 1462311167.82404494 Distribute overlap matrix (4253.56492s) stopped
T12 >> 1462311167.82846498 Blacs Orbital Layouts (31229.14451s) started
T12 >> 1462311167.83680201 General diagonalize (31101.63358s) started
T12 << 1462311221.95458508 General diagonalize (31155.75136s) stopped
T12 >> 1462311221.95463109 Redistribute coefs (4.72923s) started
T12 << 1462311221.96287990 Redistribute coefs (4.73748s) stopped
T12 >> 1462311221.96292210 Send coefs to domains (117.52821s) started
T12 << 1462311222.08939195 Send coefs to domains (117.65468s) stopped
T12 << 1462311222.08971095 Blacs Orbital Layouts (31283.40575s) stopped
T12 >> 1462311222.08974004 Calculate projections (1017.07548s) started
T12 << 1462311223.85962796 Calculate projections (1018.84537s) stopped
T12 << 1462311223.85998297 LCAO eigensolver (37349.74905s) stopped
T12 >> 1462311227.03550792 Density (8856.16228s) started
T12 >> 1462311227.03552389 Pseudo density (6840.44281s) started
T12 >> 1462311227.03837895 Calculate density matrix (6425.12389s) started
T12 << 1462311240.21276307 Calculate density matrix (6438.29828s) stopped
T12 >> 1462311240.21281505 Construct density (404.46552s) started
T12 << 1462311240.98001003 Construct density (405.23271s) stopped
T12 >> 1462311240.99643493 Symmetrize density (0.04606s) started
T12 << 1462311240.99650002 Symmetrize density (0.04613s) stopped
T12 << 1462311240.99893808 Pseudo density (6854.40622s) stopped
T12 >> 1462311240.99899602 Atomic density matrices (1777.65834s) started
T12 << 1462311244.39051104 Atomic density matrices (1781.04985s) stopped
T12 >> 1462311244.39054489 Multipole moments (6.31288s) started
T12 << 1462311244.40499711 Multipole moments (6.32733s) stopped
T12 >> 1462311244.40502810 Normalize (3.64845s) started
T12 << 1462311244.41152906 Normalize (3.65495s) stopped
T12 >> 1462311244.41156793 Mix (228.05753s) started
T12 << 1462311244.87638497 Mix (228.52235s) stopped
T12 << 1462311244.87643909 Density (8874.00321s) stopped
T12 >> 1462311244.87646508 Hamiltonian (26277.56897s) started
T12 >> 1462311244.87647796 vbar (14.44024s) started
T12 << 1462311244.90072107 vbar (14.46449s) stopped
T12 >> 1462311244.90079904 XC 3D grid (15258.81443s) started
T12 >> 1462311245.40664506 van der Waals (14738.83810s) started
T12 >> 1462311245.52168202 semilocal (3110.88051s) started
T12 << 1462311251.31604099 semilocal (3116.67487s) stopped
T12 >> 1462311251.38903189 redistribute (1594.39189s) started
T12 << 1462311252.38742590 redistribute (1595.39028s) stopped
T12 >> 1462311252.38746691 libvdwxc nonlocal (9930.73561s) started
T12 << 1462311270.98235607 libvdwxc nonlocal (9949.33050s) stopped
T12 >> 1462311270.98241901 redistribute (1595.39031s) started
T12 << 1462311272.78457808 redistribute (1597.19247s) stopped
T12 << 1462311272.78571010 van der Waals (14766.21716s) stopped
T12 << 1462311273.25356197 XC 3D grid (15287.16719s) stopped
T12 >> 1462311273.25361705 Poisson (3240.93881s) started
T12 << 1462311277.63257504 Poisson (3245.31777s) stopped
T12 >> 1462311277.63264990 Hartree integrate/restrict (200.09697s) started
T12 << 1462311277.67762089 Hartree integrate/restrict (200.14194s) stopped
T12 >> 1462311277.67769790 Hartree integrate/restrict (200.14199s) started
T12 << 1462311277.99879193 Hartree integrate/restrict (200.46309s) stopped
T12 >> 1462311277.99887991 Atomic (1288.62308s) started
T12 >> 1462311278.00062299 XC Correction (0.01771s) started
T12 << 1462311278.00064206 XC Correction (0.01773s) stopped
T12 << 1462311280.38439298 Atomic (1291.00859s) stopped
T12 >> 1462311280.38453197 Communicate (6274.43904s) started
T12 << 1462311296.86805892 Communicate (6290.92257s) stopped
T12 << 1462311296.86809802 Hamiltonian (26329.56060s) stopped
T12 >> 1462311296.86812401 LCAO eigensolver (37349.74906s) started
T12 >> 1462311296.86813688 Potential matrix (560.09174s) started
T12 << 1462311297.82641101 Potential matrix (561.05002s) stopped
T12 >> 1462311297.82649803 DistributedAtomicCorrection (231.00960s) started
T12 << 1462311298.26670289 DistributedAtomicCorrection (231.44981s) stopped
T12 >> 1462311298.26676512 Distribute overlap matrix (4253.56493s) started
T12 >> 1462311298.26678991 blocked summation (2376.32853s) started
T12 << 1462311302.76811790 blocked summation (2380.82986s) stopped
T12 >> 1462311302.77820206 Scalapack redistribute (1871.56557s) started
T12 << 1462311306.36393309 Scalapack redistribute (1875.15130s) stopped
T12 << 1462311306.36403704 Distribute overlap matrix (4261.66221s) stopped
T12 >> 1462311306.36862898 Blacs Orbital Layouts (31283.40577s) started
T12 >> 1462311306.37733793 General diagonalize (31155.75140s) started
T12 << 1462311362.68610501 General diagonalize (31212.06016s) stopped
T12 >> 1462311362.68616009 Redistribute coefs (4.73751s) started
T12 << 1462311362.69542408 Redistribute coefs (4.74677s) stopped
T12 >> 1462311362.69547200 Send coefs to domains (117.65471s) started
T12 << 1462311362.79138899 Send coefs to domains (117.75063s) stopped
T12 << 1462311362.79185104 Blacs Orbital Layouts (31339.82899s) stopped
T12 >> 1462311362.79188108 Calculate projections (1018.84542s) started
T12 << 1462311364.57137799 Calculate projections (1020.62491s) stopped
T12 << 1462311364.57181191 LCAO eigensolver (37417.45275s) stopped
T12 >> 1462311367.73661399 Density (8874.00322s) started
T12 >> 1462311367.73662901 Pseudo density (6854.40627s) started
T12 >> 1462311367.73982191 Calculate density matrix (6438.29831s) started
T12 << 1462311379.53221989 Calculate density matrix (6450.09071s) stopped
T12 >> 1462311379.53227711 Construct density (405.23276s) started
T12 << 1462311380.30236411 Construct density (406.00285s) stopped
T12 >> 1462311380.31665802 Symmetrize density (0.04614s) started
T12 << 1462311380.31673503 Symmetrize density (0.04622s) stopped
T12 << 1462311380.31885004 Pseudo density (6866.98849s) stopped
T12 >> 1462311380.31891990 Atomic density matrices (1781.04988s) started
T12 << 1462311383.76535606 Atomic density matrices (1784.49631s) stopped
T12 >> 1462311383.76539493 Multipole moments (6.32735s) started
T12 << 1462311383.77986503 Multipole moments (6.34182s) stopped
T12 >> 1462311383.77989793 Normalize (3.65498s) started
T12 << 1462311383.78607702 Normalize (3.66116s) stopped
T12 >> 1462311383.78614306 Mix (228.52240s) started
T12 << 1462311384.24710011 Mix (228.98336s) stopped
T12 << 1462311384.24713707 Density (8890.51375s) stopped
T12 >> 1462311384.24716592 Hamiltonian (26329.56061s) started
T12 >> 1462311384.24718094 vbar (14.46452s) started
T12 << 1462311384.27410603 vbar (14.49145s) stopped
T12 >> 1462311384.27417803 XC 3D grid (15287.16724s) started
T12 >> 1462311384.78314495 van der Waals (14766.21719s) started
T12 >> 1462311384.89487910 semilocal (3116.67497s) started
T12 << 1462311390.69947505 semilocal (3122.47956s) stopped
T12 >> 1462311390.77655005 redistribute (1597.19251s) started
T12 << 1462311391.79576898 redistribute (1598.21173s) stopped
T12 >> 1462311391.79582405 libvdwxc nonlocal (9949.33055s) started
T12 << 1462311410.09383011 libvdwxc nonlocal (9967.62856s) stopped
T12 >> 1462311410.09391499 redistribute (1598.21177s) started
T12 << 1462311412.18336606 redistribute (1600.30122s) stopped
T12 << 1462311412.18448901 van der Waals (14793.61853s) stopped
T12 << 1462311412.65146208 XC 3D grid (15315.54452s) stopped
T12 >> 1462311412.65151000 Poisson (3245.31782s) started
T12 << 1462311417.00660491 Poisson (3249.67292s) stopped
T12 >> 1462311417.00669694 Hartree integrate/restrict (200.46313s) started
T12 << 1462311417.04504704 Hartree integrate/restrict (200.50148s) stopped
T12 >> 1462311417.04512501 Hartree integrate/restrict (200.50153s) started
T12 << 1462311417.37053609 Hartree integrate/restrict (200.82694s) stopped
T12 >> 1462311417.37061691 Atomic (1291.00861s) started
T12 >> 1462311417.37245107 XC Correction (0.01774s) started
T12 << 1462311417.37246895 XC Correction (0.01776s) stopped
T12 << 1462311419.75570703 Atomic (1293.39370s) stopped
T12 >> 1462311419.75586295 Communicate (6290.92260s) started
T12 << 1462311436.28026199 Communicate (6307.44699s) stopped
T12 << 1462311436.28030109 Hamiltonian (26381.59375s) stopped
T12 >> 1462311436.28032708 LCAO eigensolver (37417.45277s) started
T12 >> 1462311436.28034091 Potential matrix (561.05007s) started
T12 << 1462311437.24882293 Potential matrix (562.01855s) stopped
T12 >> 1462311437.24889493 DistributedAtomicCorrection (231.44985s) started
T12 << 1462311437.68750000 DistributedAtomicCorrection (231.88845s) stopped
T12 >> 1462311437.68760300 Distribute overlap matrix (4261.66222s) started
T12 >> 1462311437.68762898 blocked summation (2380.82989s) started
T12 << 1462311442.15589190 blocked summation (2385.29815s) stopped
T12 >> 1462311442.16594696 Scalapack redistribute (1875.15136s) started
T12 << 1462311445.68914199 Scalapack redistribute (1878.67456s) stopped
T12 << 1462311445.68926597 Distribute overlap matrix (4269.66388s) stopped
T12 >> 1462311445.69337392 Blacs Orbital Layouts (31339.82901s) started
T12 >> 1462311445.70185804 General diagonalize (31212.06021s) started
T12 << 1462311499.89532304 General diagonalize (31266.25367s) stopped
T12 >> 1462311499.89540195 Redistribute coefs (4.74681s) started
T12 << 1462311499.90444493 Redistribute coefs (4.75585s) stopped
T12 >> 1462311499.90451002 Send coefs to domains (117.75067s) started
T12 << 1462311500.00591302 Send coefs to domains (117.85207s) stopped
T12 << 1462311500.00646091 Blacs Orbital Layouts (31394.14210s) stopped
T12 >> 1462311500.00648999 Calculate projections (1020.62497s) started
T12 << 1462311501.77659011 Calculate projections (1022.39507s) stopped
T12 << 1462311501.77706599 LCAO eigensolver (37482.94951s) stopped
T12 << 1462311504.95710492 SCF-cycle (74607.47570s) stopped
T12 >> 1462311506.93587804 Force calculation (3294.06197s) started
T12 >> 1462311506.93596292 LCAO forces (3258.29308s) started
T12 >> 1462311506.93633103 Initial (0.00096s) started
T12 << 1462311506.93634200 Initial (0.00097s) stopped
T12 >> 1462311506.94317603 Get density matrix (1708.25154s) started
T12 << 1462311516.07799792 Get density matrix (1717.38636s) stopped
T12 >> 1462311516.07804298 Potential (257.81325s) started
T12 << 1462311522.28923607 Potential (264.02444s) stopped
T12 >> 1462311522.28929090 Get density matrix (1717.38639s) started
T12 << 1462311553.35606790 Get density matrix (1748.45317s) stopped
T12 >> 1462311553.35612607 Prepare TCI loop (90.55699s) started
T12 >> 1462311553.35663199 Get neighbors (81.55297s) started
T12 << 1462311555.28284693 Get neighbors (83.47919s) stopped
T12 >> 1462311555.28351688 broadcast dH (8.95667s) started
T12 << 1462311555.50480795 broadcast dH (9.17796s) stopped
T12 << 1462311555.50485110 Prepare TCI loop (92.70571s) stopped
T12 >> 1462311555.50487089 Not so complicated loop (5.00013s) started
T12 << 1462311555.62098789 Not so complicated loop (5.11625s) stopped
T12 >> 1462311555.73583007 Complicated loop (781.96845s) started
T12 << 1462311574.93061090 Complicated loop (801.16323s) stopped
T12 >> 1462311574.93160510 Wait for sum (409.32152s) started
T12 << 1462311585.27287412 Wait for sum (419.66279s) stopped
T12 << 1462311585.27290797 LCAO forces (3336.63003s) stopped
T12 << 1462311586.09514403 Force calculation (3373.22124s) stopped
T12 >> 1462311586.11309290 Initialization (5458.75553s) started
T12 << 1462311586.11327100 Initialization (5458.75571s) stopped
T12 >> 1462311586.11349797 Initialization (5458.75572s) started
T12 << 1462311586.11363292 Initialization (5458.75586s) stopped
T12 >> 1462311586.11377311 Initialization (5458.75587s) started
T12 << 1462311586.11390996 Initialization (5458.75601s) stopped
T12 >> 1462311606.39475203 Initialization (5458.75603s) started
T12 >> 1462311606.51980710 Basic WFS set positions (3.78572s) started
T12 >> 1462311606.51983094 Redistribute (0.01310s) started
T12 << 1462311606.51996112 Redistribute (0.01323s) stopped
T12 << 1462311606.60848308 Basic WFS set positions (3.87440s) stopped
T12 >> 1462311606.60850692 Basis functions set positions (78.51211s) started
T12 << 1462311608.53191590 Basis functions set positions (80.43552s) stopped
T12 >> 1462311608.53248906 TCI: Calculate S, T, P (654.61025s) started
T12 << 1462311624.24504399 TCI: Calculate S, T, P (670.32281s) stopped
T12 >> 1462311624.24509907 blocked summation (989.96977s) started
T12 << 1462311652.02160692 blocked summation (1017.74628s) stopped
T12 >> 1462311652.03108811 Scalapack redistribute (383.32120s) started
T12 << 1462311660.55071712 Scalapack redistribute (391.84083s) stopped
T12 >> 1462311660.55195308 blocked summation (1017.74634s) started
T12 << 1462311661.73090291 blocked summation (1018.92529s) stopped
T12 >> 1462311661.73952007 Scalapack redistribute (391.84090s) started
T12 << 1462311661.94646502 Scalapack redistribute (392.04784s) stopped
T12 >> 1462311661.94856310 Redistribute (0.10097s) started
T12 << 1462311661.94908500 Redistribute (0.10149s) stopped
T12 >> 1462311663.65261507 Redistribute (0.10151s) started
T12 << 1462311663.65308189 Redistribute (0.10198s) stopped
T12 >> 1462311663.66770697 LCAO WFS Initialize (3263.12895s) started
T12 >> 1462311663.66779089 Density initialize from wavefunctions (616.55989s) started
T12 >> 1462311663.67349195 Calculate density matrix (427.48474s) started
T12 << 1462311673.55527210 Calculate density matrix (437.36652s) stopped
T12 >> 1462311673.55532098 Construct density (32.30727s) started
T12 << 1462311674.32319808 Construct density (33.07514s) stopped
T12 >> 1462311674.33825707 Symmetrize density (0.00351s) started
T12 << 1462311674.33832502 Symmetrize density (0.00358s) stopped
T12 << 1462311677.96160889 Density initialize from wavefunctions (630.85371s) stopped
T12 >> 1462311677.96197104 Hamiltonian (2645.64215s) started
T12 >> 1462311677.96199012 vbar (1.21375s) started
T12 << 1462311677.99395490 vbar (1.24572s) stopped
T12 >> 1462311677.99403906 XC 3D grid (1257.22439s) started
T12 >> 1462311678.50043392 van der Waals (1214.61023s) started
T12 >> 1462311678.61297607 semilocal (255.00779s) started
T12 << 1462311684.46962905 semilocal (260.86444s) stopped
T12 >> 1462311684.54368997 redistribute (141.12885s) started
T12 << 1462311685.48453903 redistribute (142.06970s) stopped
T12 >> 1462311685.48458791 libvdwxc nonlocal (810.04524s) started
T12 << 1462311703.63410497 libvdwxc nonlocal (828.19476s) stopped
T12 >> 1462311703.63414788 redistribute (142.06973s) started
T12 << 1462311705.28581095 redistribute (143.72139s) stopped
T12 << 1462311705.28685093 van der Waals (1241.39665s) stopped
T12 << 1462311705.75041103 XC 3D grid (1284.98077s) stopped
T12 >> 1462311705.75047112 Poisson (651.23451s) started
T12 << 1462311717.61719990 Poisson (663.10124s) stopped
T12 >> 1462311717.61727595 Hartree integrate/restrict (16.29064s) started
T12 << 1462311717.67181802 Hartree integrate/restrict (16.34518s) stopped
T12 >> 1462311717.67187095 Hartree integrate/restrict (16.34521s) started
T12 << 1462311718.04145002 Hartree integrate/restrict (16.71479s) stopped
T12 >> 1462311718.04158092 Atomic (104.19284s) started
T12 >> 1462311718.04451489 XC Correction (0.00166s) started
T12 << 1462311718.04453492 XC Correction (0.00168s) stopped
T12 << 1462311720.41276193 Atomic (106.56403s) stopped
T12 >> 1462311720.41293597 Communicate (615.44231s) started
T12 << 1462311737.73163605 Communicate (632.76101s) stopped
T12 << 1462311737.73167300 Hamiltonian (2705.41185s) stopped
T12 << 1462311737.73168707 LCAO WFS Initialize (3337.19293s) stopped
T12 << 1462311737.74383307 Initialization (5590.10511s) stopped
T12 >> 1462311737.76978803 SCF-cycle (74607.47572s) started
T12 >> 1462311737.76982498 LCAO eigensolver (37482.94953s) started
T12 >> 1462311737.76983809 Potential matrix (562.01859s) started
T12 << 1462311738.74444604 Potential matrix (562.99320s) stopped
T12 >> 1462311738.74452806 DistributedAtomicCorrection (231.88853s) started
T12 << 1462311739.18681598 DistributedAtomicCorrection (232.33082s) stopped
T12 >> 1462311739.18686295 Distribute overlap matrix (4269.66390s) started
T12 >> 1462311739.18689108 blocked summation (2385.29819s) started
T12 << 1462311743.57283807 blocked summation (2389.68414s) stopped
T12 >> 1462311743.58296108 Scalapack redistribute (1878.67463s) started
T12 << 1462311747.19056702 Scalapack redistribute (1882.28223s) stopped
T12 << 1462311747.19065499 Distribute overlap matrix (4277.66769s) stopped
T12 >> 1462311747.19508195 Blacs Orbital Layouts (31394.14212s) started
T12 >> 1462311747.20401001 General diagonalize (31266.25374s) started
T12 << 1462311800.76139903 General diagonalize (31319.81113s) stopped
T12 >> 1462311800.76144600 Redistribute coefs (4.75590s) started
T12 << 1462311800.76969504 Redistribute coefs (4.76415s) stopped
T12 >> 1462311800.76975989 Send coefs to domains (117.85210s) started
T12 << 1462311800.94834399 Send coefs to domains (118.03069s) stopped
T12 << 1462311800.94896197 Blacs Orbital Layouts (31447.89600s) stopped
T12 >> 1462311800.94899106 Calculate projections (1022.39512s) started
T12 << 1462311802.71795511 Calculate projections (1024.16409s) stopped
T12 << 1462311802.71834707 LCAO eigensolver (37547.89805s) stopped
T12 >> 1462311805.84380198 Density (8890.51376s) started
T12 >> 1462311805.84381795 Pseudo density (6866.98855s) started
T12 >> 1462311805.84646511 Calculate density matrix (6450.09075s) started
T12 << 1462311818.09541988 Calculate density matrix (6462.33970s) stopped
T12 >> 1462311818.09546995 Construct density (406.00291s) started
T12 << 1462311818.86276293 Construct density (406.77020s) stopped
T12 >> 1462311818.87681103 Symmetrize density (0.04624s) started
T12 << 1462311818.87687802 Symmetrize density (0.04631s) stopped
T12 << 1462311818.87888598 Pseudo density (6880.02361s) stopped
T12 >> 1462311818.87894607 Atomic density matrices (1784.49634s) started
T12 << 1462311822.37381697 Atomic density matrices (1787.99121s) stopped
T12 >> 1462311822.37384892 Multipole moments (6.34183s) started
T12 << 1462311822.38837194 Multipole moments (6.35636s) stopped
T12 >> 1462311822.38839507 Normalize (3.66120s) started
T12 << 1462311822.39500809 Normalize (3.66782s) stopped
T12 >> 1462311822.39509702 Mix (228.98339s) started
T12 << 1462311822.73475003 Mix (229.32305s) stopped
T12 << 1462311822.73484397 Density (8907.40480s) stopped
T12 >> 1462311822.73487592 Hamiltonian (26381.59376s) started
T12 >> 1462311822.73489094 vbar (14.49149s) started
T12 << 1462311822.76717806 vbar (14.52377s) stopped
T12 >> 1462311822.76730800 XC 3D grid (15315.54456s) started
T12 >> 1462311823.34604096 van der Waals (14793.61856s) started
T12 >> 1462311823.45809793 semilocal (3122.47966s) started
T12 << 1462311829.24392295 semilocal (3128.26548s) stopped
T12 >> 1462311829.31670499 redistribute (1600.30128s) started
T12 << 1462311830.35674095 redistribute (1601.34132s) stopped
T12 >> 1462311830.35678911 libvdwxc nonlocal (9967.62862s) started
T12 << 1462311849.10885596 libvdwxc nonlocal (9986.38069s) stopped
T12 >> 1462311849.10891795 redistribute (1601.34135s) started
T12 << 1462311850.78236604 redistribute (1603.01480s) stopped
T12 << 1462311850.78360009 van der Waals (14821.05612s) stopped
T12 << 1462311851.25035810 XC 3D grid (15344.02761s) stopped
T12 >> 1462311851.25039697 Poisson (3249.67298s) started
T12 << 1462311855.63266897 Poisson (3254.05525s) stopped
T12 >> 1462311855.63274598 Hartree integrate/restrict (200.82698s) started
T12 << 1462311855.68179989 Hartree integrate/restrict (200.87603s) stopped
T12 >> 1462311855.68184090 Hartree integrate/restrict (200.87606s) started
T12 << 1462311856.02938294 Hartree integrate/restrict (201.22360s) stopped
T12 >> 1462311856.02946711 Atomic (1293.39372s) started
T12 >> 1462311856.03138709 XC Correction (0.01777s) started
T12 << 1462311856.03140497 XC Correction (0.01779s) stopped
T12 << 1462311858.40024996 Atomic (1295.76451s) stopped
T12 >> 1462311858.40042496 Communicate (6307.44702s) started
T12 << 1462311875.80907702 Communicate (6324.85567s) stopped
T12 << 1462311875.80911493 Hamiltonian (26434.66800s) stopped
T12 >> 1462311875.80913997 LCAO eigensolver (37547.89807s) started
T12 >> 1462311875.80915308 Potential matrix (562.99324s) started
T12 << 1462311876.77778411 Potential matrix (563.96188s) stopped
T12 >> 1462311876.77784204 DistributedAtomicCorrection (232.33086s) started
T12 << 1462311877.20863199 DistributedAtomicCorrection (232.76165s) stopped
T12 >> 1462311877.20867801 Distribute overlap matrix (4277.66770s) started
T12 >> 1462311877.20870495 blocked summation (2389.68417s) started
T12 << 1462311881.56514812 blocked summation (2394.04061s) stopped
T12 >> 1462311881.57455301 Scalapack redistribute (1882.28228s) started
T12 << 1462311885.29017210 Scalapack redistribute (1885.99790s) stopped
T12 << 1462311885.29027200 Distribute overlap matrix (4285.74929s) stopped
T12 >> 1462311885.29414296 Blacs Orbital Layouts (31447.89602s) started
T12 >> 1462311885.30261302 General diagonalize (31319.81117s) started
T12 << 1462311940.66610789 General diagonalize (31375.17466s) stopped
T12 >> 1462311940.66615295 Redistribute coefs (4.76421s) started
T12 << 1462311940.67438602 Redistribute coefs (4.77244s) stopped
T12 >> 1462311940.67442489 Send coefs to domains (118.03072s) started
T12 << 1462311940.80531001 Send coefs to domains (118.16160s) stopped
T12 << 1462311940.80585408 Blacs Orbital Layouts (31503.40773s) stopped
T12 >> 1462311940.80588198 Calculate projections (1024.16414s) started
T12 << 1462311942.57638693 Calculate projections (1025.93464s) stopped
T12 << 1462311942.57674289 LCAO eigensolver (37614.66567s) stopped
T12 >> 1462311945.70896506 Density (8907.40482s) started
T12 >> 1462311945.70898008 Pseudo density (6880.02366s) started
T12 >> 1462311945.71115303 Calculate density matrix (6462.33974s) started
T12 << 1462311957.88794804 Calculate density matrix (6474.51653s) stopped
T12 >> 1462311957.88799500 Construct density (406.77026s) started
T12 << 1462311958.65755701 Construct density (407.53982s) stopped
T12 >> 1462311958.67219591 Symmetrize density (0.04632s) started
T12 << 1462311958.67226291 Symmetrize density (0.04639s) stopped
T12 << 1462311958.67424703 Pseudo density (6892.98893s) stopped
T12 >> 1462311958.67430711 Atomic density matrices (1787.99124s) started
T12 << 1462311962.03727388 Atomic density matrices (1791.35421s) stopped
T12 >> 1462311962.03730607 Multipole moments (6.35637s) started
T12 << 1462311962.05153894 Multipole moments (6.37061s) stopped
T12 >> 1462311962.05156302 Normalize (3.66789s) started
T12 << 1462311962.05779099 Normalize (3.67411s) stopped
T12 >> 1462311962.05785489 Mix (229.32314s) started
T12 << 1462311962.40072703 Mix (229.66601s) stopped
T12 << 1462311962.40084696 Density (8924.09670s) stopped
T12 >> 1462311962.40088391 Hamiltonian (26434.66801s) started
T12 >> 1462311962.40090203 vbar (14.52385s) started
T12 << 1462311962.42790890 vbar (14.55086s) stopped
T12 >> 1462311962.42801499 XC 3D grid (15344.02764s) started
T12 >> 1462311962.96859407 van der Waals (14821.05615s) started
T12 >> 1462311963.07918191 semilocal (3128.26555s) started
T12 << 1462311968.88887501 semilocal (3134.07525s) stopped
T12 >> 1462311968.96133709 redistribute (1603.01483s) started
T12 << 1462311969.93133903 redistribute (1603.98484s) stopped
T12 >> 1462311969.93138099 libvdwxc nonlocal (9986.38073s) started
T12 << 1462311988.49088502 libvdwxc nonlocal (10004.94024s) stopped
T12 >> 1462311988.49092698 redistribute (1603.98487s) started
T12 << 1462311990.17374492 redistribute (1605.66769s) stopped
T12 << 1462311990.17500591 van der Waals (14848.26256s) stopped
T12 << 1462311990.64350390 XC 3D grid (15372.24313s) stopped
T12 >> 1462311990.64354396 Poisson (3254.05531s) started
T12 << 1462311998.05336809 Poisson (3261.46513s) stopped
T12 >> 1462311998.05344296 Hartree integrate/restrict (201.22364s) started
T12 << 1462311998.09907103 Hartree integrate/restrict (201.26926s) stopped
T12 >> 1462311998.09910989 Hartree integrate/restrict (201.26929s) started
T12 << 1462311998.41770601 Hartree integrate/restrict (201.58788s) stopped
T12 >> 1462311998.41778207 Atomic (1295.76453s) started
T12 >> 1462311998.41973805 XC Correction (0.01781s) started
T12 << 1462311998.41978097 XC Correction (0.01785s) stopped
T12 << 1462312000.80252004 Atomic (1298.14927s) stopped
T12 >> 1462312000.80268908 Communicate (6324.85570s) started
T12 << 1462312018.15233707 Communicate (6342.20534s) stopped
T12 << 1462312018.15237308 Hamiltonian (26490.41950s) stopped
T12 >> 1462312018.15239811 LCAO eigensolver (37614.66569s) started
T12 >> 1462312018.15241098 Potential matrix (563.96191s) started
T12 << 1462312019.12183404 Potential matrix (564.93133s) stopped
T12 >> 1462312019.12190199 DistributedAtomicCorrection (232.76169s) started
T12 << 1462312019.55695200 DistributedAtomicCorrection (233.19674s) stopped
T12 >> 1462312019.55699897 Distribute overlap matrix (4285.74931s) started
T12 >> 1462312019.55705309 blocked summation (2394.04064s) started
T12 << 1462312024.04118609 blocked summation (2398.52477s) stopped
T12 >> 1462312024.05028510 Scalapack redistribute (1885.99797s) started
T12 << 1462312027.66888404 Scalapack redistribute (1889.61656s) stopped
T12 << 1462312027.66896296 Distribute overlap matrix (4293.86127s) stopped
T12 >> 1462312027.67285395 Blacs Orbital Layouts (31503.40775s) started
T12 >> 1462312027.68174410 General diagonalize (31375.17470s) started
T12 << 1462312080.56667089 General diagonalize (31428.05962s) stopped
T12 >> 1462312080.56671810 Redistribute coefs (4.77247s) started
T12 << 1462312080.57504511 Redistribute coefs (4.78080s) stopped
T12 >> 1462312080.57508707 Send coefs to domains (118.16164s) started
T12 << 1462312080.69459510 Send coefs to domains (118.28114s) stopped
T12 << 1462312080.69501305 Blacs Orbital Layouts (31556.42991s) stopped
T12 >> 1462312080.69503999 Calculate projections (1025.93470s) started
T12 << 1462312082.46462798 Calculate projections (1027.70428s) stopped
T12 << 1462312082.46482110 LCAO eigensolver (37678.97812s) stopped
T12 >> 1462312085.57888508 Density (8924.09672s) started
T12 >> 1462312085.57890010 Pseudo density (6892.98898s) started
T12 >> 1462312085.58118296 Calculate density matrix (6474.51657s) started
T12 << 1462312097.53967190 Calculate density matrix (6486.47506s) stopped
T12 >> 1462312097.53972006 Construct density (407.53987s) started
T12 << 1462312098.30837607 Construct density (408.30853s) stopped
T12 >> 1462312098.32224107 Symmetrize density (0.04641s) started
T12 << 1462312098.32230496 Symmetrize density (0.04647s) stopped
T12 << 1462312098.32425189 Pseudo density (6905.73433s) stopped
T12 >> 1462312098.32431006 Atomic density matrices (1791.35423s) started
T12 << 1462312101.73125410 Atomic density matrices (1794.76118s) stopped
T12 >> 1462312101.73128605 Multipole moments (6.37062s) started
T12 << 1462312101.74524689 Multipole moments (6.38458s) stopped
T12 >> 1462312101.74527097 Normalize (3.67416s) started
T12 << 1462312101.75149894 Normalize (3.68039s) stopped
T12 >> 1462312101.75154996 Mix (229.66613s) started
T12 << 1462312102.12294602 Mix (230.03752s) stopped
T12 << 1462312102.12300110 Density (8940.64083s) stopped
T12 >> 1462312102.12302804 Hamiltonian (26490.41951s) started
T12 >> 1462312102.12304401 vbar (14.55091s) started
T12 << 1462312102.14495301 vbar (14.57282s) stopped
T12 >> 1462312102.14506793 XC 3D grid (15372.24316s) started
T12 >> 1462312102.67731309 van der Waals (14848.26259s) started
T12 >> 1462312102.78741288 semilocal (3134.07531s) started
T12 << 1462312108.61522198 semilocal (3139.90312s) stopped
T12 >> 1462312108.68835592 redistribute (1605.66775s) started
T12 << 1462312109.69475889 redistribute (1606.67415s) stopped
T12 >> 1462312109.69480610 libvdwxc nonlocal (10004.94027s) started
T12 << 1462312128.25516200 libvdwxc nonlocal (10023.50063s) stopped
T12 >> 1462312128.25522494 redistribute (1606.67419s) started
T12 << 1462312129.97742891 redistribute (1608.39639s) stopped
T12 << 1462312129.97828603 van der Waals (14875.56357s) stopped
T12 << 1462312130.44388294 XC 3D grid (15400.54197s) stopped
T12 >> 1462312130.44393611 Poisson (3261.46519s) started
T12 << 1462312136.22847891 Poisson (3267.24973s) stopped
T12 >> 1462312136.22856808 Hartree integrate/restrict (201.58791s) started
T12 << 1462312136.27406597 Hartree integrate/restrict (201.63341s) stopped
T12 >> 1462312136.27410793 Hartree integrate/restrict (201.63344s) started
T12 << 1462312136.58975101 Hartree integrate/restrict (201.94908s) stopped
T12 >> 1462312136.58985591 Atomic (1298.14929s) started
T12 >> 1462312136.59164500 XC Correction (0.01786s) started
T12 << 1462312136.59166288 XC Correction (0.01788s) stopped
T12 << 1462312138.99904895 Atomic (1300.55848s) stopped
T12 >> 1462312138.99921608 Communicate (6342.20537s) started
T12 << 1462312156.15636492 Communicate (6359.36252s) stopped
T12 << 1462312156.15639901 Hamiltonian (26544.45289s) stopped
T12 >> 1462312156.15642405 LCAO eigensolver (37678.97814s) started
T12 >> 1462312156.15643692 Potential matrix (564.93137s) started
T12 << 1462312157.12483597 Potential matrix (565.89977s) stopped
T12 >> 1462312157.12490702 DistributedAtomicCorrection (233.19678s) started
T12 << 1462312157.56209207 DistributedAtomicCorrection (233.63396s) stopped
T12 >> 1462312157.56213808 Distribute overlap matrix (4293.86128s) started
T12 >> 1462312157.56216502 blocked summation (2398.52480s) started
T12 << 1462312162.04500294 blocked summation (2403.00764s) stopped
T12 >> 1462312162.05396295 Scalapack redistribute (1889.61661s) started
T12 << 1462312165.68576288 Scalapack redistribute (1893.24841s) stopped
T12 << 1462312165.68587208 Distribute overlap matrix (4301.98502s) stopped
T12 >> 1462312165.69065094 Blacs Orbital Layouts (31556.42993s) started
T12 >> 1462312165.69954991 General diagonalize (31428.05966s) started
T12 << 1462312218.60048509 General diagonalize (31480.96060s) stopped
T12 >> 1462312218.60053110 Redistribute coefs (4.78083s) started
T12 << 1462312218.60885000 Redistribute coefs (4.78915s) stopped
T12 >> 1462312218.60889101 Send coefs to domains (118.28118s) started
T12 << 1462312218.71121812 Send coefs to domains (118.38350s) stopped
T12 << 1462312218.71163392 Blacs Orbital Layouts (31609.45091s) stopped
T12 >> 1462312218.71166205 Calculate projections (1027.70433s) started
T12 << 1462312220.48126101 Calculate projections (1029.47393s) stopped
T12 << 1462312220.48145199 LCAO eigensolver (37743.30316s) stopped
T12 >> 1462312223.60769200 Density (8940.64084s) started
T12 >> 1462312223.60770702 Pseudo density (6905.73438s) started
T12 >> 1462312223.61008692 Calculate density matrix (6486.47509s) started
T12 << 1462312235.42926097 Calculate density matrix (6498.29426s) stopped
T12 >> 1462312235.42931008 Construct density (408.30857s) started
T12 << 1462312236.19822407 Construct density (409.07749s) stopped
T12 >> 1462312236.21236992 Symmetrize density (0.04649s) started
T12 << 1462312236.21243405 Symmetrize density (0.04655s) stopped
T12 << 1462312236.21444511 Pseudo density (6918.34111s) stopped
T12 >> 1462312236.21450496 Atomic density matrices (1794.76120s) started
T12 << 1462312239.60964894 Atomic density matrices (1798.15634s) stopped
T12 >> 1462312239.60967994 Multipole moments (6.38460s) started
T12 << 1462312239.62427592 Multipole moments (6.39920s) stopped
T12 >> 1462312239.62430692 Normalize (3.68042s) started
T12 << 1462312239.63060403 Normalize (3.68672s) stopped
T12 >> 1462312239.63066101 Mix (230.03758s) started
T12 << 1462312240.04812193 Mix (230.45504s) stopped
T12 << 1462312240.04817891 Density (8957.08133s) stopped
T12 >> 1462312240.04820490 Hamiltonian (26544.45290s) started
T12 >> 1462312240.04821897 vbar (14.57289s) started
T12 << 1462312240.07385802 vbar (14.59853s) stopped
T12 >> 1462312240.07395601 XC 3D grid (15400.54201s) started
T12 >> 1462312240.64087296 van der Waals (14875.56359s) started
T12 >> 1462312240.75289893 semilocal (3139.90318s) started
T12 << 1462312246.57915902 semilocal (3145.72944s) stopped
T12 >> 1462312246.65044999 redistribute (1608.39645s) started
T12 << 1462312247.59963608 redistribute (1609.34563s) stopped
T12 >> 1462312247.59967995 libvdwxc nonlocal (10023.50067s) started
T12 << 1462312266.54248595 libvdwxc nonlocal (10042.44348s) stopped
T12 >> 1462312266.54255199 redistribute (1609.34567s) started
T12 << 1462312268.24655795 redistribute (1611.04967s) stopped
T12 << 1462312268.24738002 van der Waals (14903.17010s) stopped
T12 << 1462312268.71438599 XC 3D grid (15429.18244s) stopped
T12 >> 1462312268.71442890 Poisson (3267.24980s) started
T12 << 1462312273.19109607 Poisson (3271.72646s) stopped
T12 >> 1462312273.19115901 Hartree integrate/restrict (201.94914s) started
T12 << 1462312273.23825407 Hartree integrate/restrict (201.99624s) stopped
T12 >> 1462312273.23830795 Hartree integrate/restrict (201.99627s) started
T12 << 1462312273.58108997 Hartree integrate/restrict (202.33905s) stopped
T12 >> 1462312273.58118010 Atomic (1300.55850s) started
T12 >> 1462312273.58295202 XC Correction (0.01789s) started
T12 << 1462312273.58297396 XC Correction (0.01791s) stopped
T12 << 1462312276.00061202 Atomic (1302.97794s) stopped
T12 >> 1462312276.00078702 Communicate (6359.36254s) started
T12 << 1462312292.14432597 Communicate (6375.50608s) stopped
T12 << 1462312292.14436293 Hamiltonian (26596.54906s) stopped
T12 >> 1462312292.14438796 LCAO eigensolver (37743.30318s) started
T12 >> 1462312292.14440107 Potential matrix (565.89981s) started
T12 << 1462312293.12317109 Potential matrix (566.87858s) stopped
T12 >> 1462312293.12323689 DistributedAtomicCorrection (233.63400s) started
T12 << 1462312293.55852008 DistributedAtomicCorrection (234.06928s) stopped
T12 >> 1462312293.55856705 Distribute overlap matrix (4301.98503s) started
T12 >> 1462312293.55859399 blocked summation (2403.00768s) started
T12 << 1462312298.04175901 blocked summation (2407.49085s) stopped
T12 >> 1462312298.05054498 Scalapack redistribute (1893.24848s) started
T12 << 1462312301.69241405 Scalapack redistribute (1896.89035s) stopped
T12 << 1462312301.69249296 Distribute overlap matrix (4310.11896s) stopped
T12 >> 1462312301.69643807 Blacs Orbital Layouts (31609.45093s) started
T12 >> 1462312301.70492506 General diagonalize (31480.96063s) started
T12 << 1462312354.73247790 General diagonalize (31533.98819s) stopped
T12 >> 1462312354.73252296 Redistribute coefs (4.78918s) started
T12 << 1462312354.74077606 Redistribute coefs (4.79743s) stopped
T12 >> 1462312354.74081993 Send coefs to domains (118.38354s) started
T12 << 1462312354.97012496 Send coefs to domains (118.61284s) stopped
T12 << 1462312354.97052193 Blacs Orbital Layouts (31662.72501s) stopped
T12 >> 1462312354.97055006 Calculate projections (1029.47399s) started
T12 << 1462312356.73571610 Calculate projections (1031.23915s) stopped
T12 << 1462312356.73590803 LCAO eigensolver (37807.89470s) stopped
T12 >> 1462312359.84394693 Density (8957.08135s) started
T12 >> 1462312359.84396100 Pseudo density (6918.34116s) started
T12 >> 1462312359.84628105 Calculate density matrix (6498.29430s) started
T12 << 1462312371.77008605 Calculate density matrix (6510.21811s) stopped
T12 >> 1462312371.77013397 Construct density (409.07754s) started
T12 << 1462312372.53922296 Construct density (409.84663s) stopped
T12 >> 1462312372.55325294 Symmetrize density (0.04657s) started
T12 << 1462312372.55331707 Symmetrize density (0.04663s) stopped
T12 << 1462312372.55526090 Pseudo density (6931.05246s) stopped
T12 >> 1462312372.55531597 Atomic density matrices (1798.15637s) started
T12 << 1462312375.92410803 Atomic density matrices (1801.52516s) stopped
T12 >> 1462312375.92414093 Multipole moments (6.39921s) started
T12 << 1462312375.93863606 Multipole moments (6.41371s) stopped
T12 >> 1462312375.93866706 Normalize (3.68676s) started
T12 << 1462312375.94478798 Normalize (3.69288s) stopped
T12 >> 1462312375.94486809 Mix (230.45510s) started
T12 << 1462312376.40562797 Mix (230.91586s) stopped
T12 << 1462312376.40571904 Density (8973.64312s) stopped
T12 >> 1462312376.40575409 Hamiltonian (26596.54907s) started
T12 >> 1462312376.40577197 vbar (14.59858s) started
T12 << 1462312376.42928410 vbar (14.62210s) stopped
T12 >> 1462312376.42934799 XC 3D grid (15429.18248s) started
T12 >> 1462312376.93488789 van der Waals (14903.17013s) started
T12 >> 1462312377.04305506 semilocal (3145.72951s) started
T12 << 1462312382.75313711 semilocal (3151.43960s) stopped
T12 >> 1462312382.83173609 redistribute (1611.04972s) started
T12 << 1462312383.93308401 redistribute (1612.15107s) stopped
T12 >> 1462312383.93315291 libvdwxc nonlocal (10042.44353s) started
T12 << 1462312402.54542494 libvdwxc nonlocal (10061.05580s) stopped
T12 >> 1462312402.54549098 redistribute (1612.15113s) started
T12 << 1462312404.25530195 redistribute (1613.86094s) stopped
T12 << 1462312404.25633597 van der Waals (14930.49157s) stopped
T12 << 1462312404.72025299 XC 3D grid (15457.47338s) stopped
T12 >> 1462312404.72029400 Poisson (3271.72651s) started
T12 << 1462312410.48833299 Poisson (3277.49455s) stopped
T12 >> 1462312410.48843288 Hartree integrate/restrict (202.33910s) started
T12 << 1462312410.53501105 Hartree integrate/restrict (202.38568s) stopped
T12 >> 1462312410.53507805 Hartree integrate/restrict (202.38573s) started
T12 << 1462312410.88960791 Hartree integrate/restrict (202.74026s) stopped
T12 >> 1462312410.88969707 Atomic (1302.97796s) started
T12 >> 1462312410.89147401 XC Correction (0.01796s) started
T12 << 1462312410.89148903 XC Correction (0.01797s) stopped
T12 << 1462312413.30316091 Atomic (1305.39142s) stopped
T12 >> 1462312413.30332804 Communicate (6375.50610s) started
T12 << 1462312428.93481398 Communicate (6391.13759s) stopped
T12 << 1462312428.93485308 Hamiltonian (26649.07817s) stopped
T12 >> 1462312428.93487811 LCAO eigensolver (37807.89472s) started
T12 >> 1462312428.93489099 Potential matrix (566.87862s) started
T12 << 1462312429.90088797 Potential matrix (567.84461s) stopped
T12 >> 1462312429.90096903 DistributedAtomicCorrection (234.06932s) started
T12 << 1462312430.34682393 DistributedAtomicCorrection (234.51518s) stopped
T12 >> 1462312430.34688306 Distribute overlap matrix (4310.11897s) started
T12 >> 1462312430.34690404 blocked summation (2407.49089s) started
T12 << 1462312434.82192707 blocked summation (2411.96591s) stopped
T12 >> 1462312434.83151698 Scalapack redistribute (1896.89041s) started
T12 << 1462312438.54045796 Scalapack redistribute (1900.59935s) stopped
T12 << 1462312438.54054594 Distribute overlap matrix (4318.31263s) stopped
T12 >> 1462312438.54455400 Blacs Orbital Layouts (31662.72503s) started
T12 >> 1462312438.55363703 General diagonalize (31533.98822s) started
T12 << 1462312491.57434011 General diagonalize (31587.00893s) stopped
T12 >> 1462312491.57442403 Redistribute coefs (4.79747s) started
T12 << 1462312491.58279395 Redistribute coefs (4.80584s) stopped
T12 >> 1462312491.58286095 Send coefs to domains (118.61287s) started
T12 << 1462312491.68520594 Send coefs to domains (118.71522s) stopped
T12 << 1462312491.68568707 Blacs Orbital Layouts (31715.86616s) stopped
T12 >> 1462312491.68571496 Calculate projections (1031.23920s) started
T12 << 1462312493.45036006 Calculate projections (1033.00385s) stopped
T12 << 1462312493.45074511 LCAO eigensolver (37872.41059s) stopped
T12 >> 1462312496.56590700 Density (8973.64313s) started
T12 >> 1462312496.56592298 Pseudo density (6931.05251s) started
T12 >> 1462312496.56826997 Calculate density matrix (6510.21814s) started
T12 << 1462312508.34328699 Calculate density matrix (6521.99316s) stopped
T12 >> 1462312508.34333396 Construct density (409.84668s) started
T12 << 1462312509.11231494 Construct density (410.61566s) stopped
T12 >> 1462312509.12653089 Symmetrize density (0.04665s) started
T12 << 1462312509.12659502 Symmetrize density (0.04671s) stopped
T12 << 1462312509.12857199 Pseudo density (6943.61515s) stopped
T12 >> 1462312509.12863207 Atomic density matrices (1801.52519s) started
T12 << 1462312512.55690289 Atomic density matrices (1804.95346s) stopped
T12 >> 1462312512.55693793 Multipole moments (6.41372s) started
T12 << 1462312512.57072806 Multipole moments (6.42751s) stopped
T12 >> 1462312512.57076097 Normalize (3.69295s) started
T12 << 1462312512.57698488 Normalize (3.69917s) stopped
T12 >> 1462312512.57703090 Mix (230.91594s) started
T12 << 1462312512.98066807 Mix (231.31958s) stopped
T12 << 1462312512.98071790 Density (8990.05794s) stopped
T12 >> 1462312512.98074508 Hamiltonian (26649.07818s) started
T12 >> 1462312512.98076010 vbar (14.62213s) started
T12 << 1462312513.00592995 vbar (14.64730s) stopped
T12 >> 1462312513.00602508 XC 3D grid (15457.47341s) started
T12 >> 1462312513.54903507 van der Waals (14930.49160s) started
T12 >> 1462312513.65719795 semilocal (3151.43971s) started
T12 << 1462312519.48447394 semilocal (3157.26698s) stopped
T12 >> 1462312519.55956197 redistribute (1613.86099s) started
T12 << 1462312520.51910591 redistribute (1614.82054s) stopped
T12 >> 1462312520.51914811 libvdwxc nonlocal (10061.05585s) started
T12 << 1462312538.91614294 libvdwxc nonlocal (10079.45285s) stopped
T12 >> 1462312538.91620708 redistribute (1614.82057s) started
T12 << 1462312540.66068697 redistribute (1616.56505s) stopped
T12 << 1462312540.66173792 van der Waals (14957.60431s) stopped
T12 << 1462312541.12429810 XC 3D grid (15485.59169s) stopped
T12 >> 1462312541.12436295 Poisson (3277.49462s) started
T12 << 1462312545.46984005 Poisson (3281.84010s) stopped
T12 >> 1462312545.46996498 Hartree integrate/restrict (202.74030s) started
T12 << 1462312545.51529694 Hartree integrate/restrict (202.78563s) stopped
T12 >> 1462312545.51540303 Hartree integrate/restrict (202.78571s) started
T12 << 1462312545.83140111 Hartree integrate/restrict (203.10171s) stopped
T12 >> 1462312545.83149600 Atomic (1305.39145s) started
T12 >> 1462312545.83329010 XC Correction (0.01798s) started
T12 << 1462312545.83330488 XC Correction (0.01800s) stopped
T12 << 1462312548.25945592 Atomic (1307.81941s) stopped
T12 >> 1462312548.25962090 Communicate (6391.13762s) started
T12 << 1462312563.83035994 Communicate (6406.70835s) stopped
T12 << 1462312563.83039808 Hamiltonian (26699.92783s) stopped
T12 >> 1462312563.83042407 LCAO eigensolver (37872.41061s) started
T12 >> 1462312563.83043694 Potential matrix (567.84466s) started
T12 << 1462312564.80199599 Potential matrix (568.81622s) stopped
T12 >> 1462312564.80206203 DistributedAtomicCorrection (234.51521s) started
T12 << 1462312565.25674701 DistributedAtomicCorrection (234.96990s) stopped
T12 >> 1462312565.25680900 Distribute overlap matrix (4318.31265s) started
T12 >> 1462312565.25683188 blocked summation (2411.96596s) started
T12 << 1462312569.72897410 blocked summation (2416.43810s) stopped
T12 >> 1462312569.73822689 Scalapack redistribute (1900.59940s) started
T12 << 1462312573.31970906 Scalapack redistribute (1904.18089s) stopped
T12 << 1462312573.31982088 Distribute overlap matrix (4326.37566s) stopped
T12 >> 1462312573.32431698 Blacs Orbital Layouts (31715.86618s) started
T12 >> 1462312573.33300495 General diagonalize (31587.00900s) started
T12 << 1462312628.54167891 General diagonalize (31642.21767s) stopped
T12 >> 1462312628.54173112 Redistribute coefs (4.80589s) started
T12 << 1462312628.55081105 Redistribute coefs (4.81497s) stopped
T12 >> 1462312628.55086398 Send coefs to domains (118.71525s) started
T12 << 1462312628.70245600 Send coefs to domains (118.86684s) stopped
T12 << 1462312628.70283008 Blacs Orbital Layouts (31771.24470s) stopped
T12 >> 1462312628.70285702 Calculate projections (1033.00390s) started
T12 << 1462312630.46800089 Calculate projections (1034.76904s) stopped
T12 << 1462312630.46835303 LCAO eigensolver (37939.04853s) stopped
T12 >> 1462312633.60149789 Density (8990.05796s) started
T12 >> 1462312633.60151410 Pseudo density (6943.61520s) started
T12 >> 1462312633.60375500 Calculate density matrix (6521.99319s) started
T12 << 1462312645.48587704 Calculate density matrix (6533.87531s) stopped
T12 >> 1462312645.48592806 Construct density (410.61571s) started
T12 << 1462312646.25642395 Construct density (411.38621s) stopped
T12 >> 1462312646.27067900 Symmetrize density (0.04673s) started
T12 << 1462312646.27074409 Symmetrize density (0.04679s) stopped
T12 << 1462312646.27274299 Pseudo density (6956.28643s) stopped
T12 >> 1462312646.27280688 Atomic density matrices (1804.95348s) started
T12 << 1462312649.64578009 Atomic density matrices (1808.32646s) stopped
T12 >> 1462312649.64581800 Multipole moments (6.42753s) started
T12 << 1462312649.66025496 Multipole moments (6.44197s) stopped
T12 >> 1462312649.66028690 Normalize (3.69921s) started
T12 << 1462312649.66648293 Normalize (3.70540s) stopped
T12 >> 1462312649.66655207 Mix (231.31963s) started
T12 << 1462312650.09300399 Mix (231.74608s) stopped
T12 << 1462312650.09307098 Density (9006.54953s) stopped
T12 >> 1462312650.09310102 Hamiltonian (26699.92785s) started
T12 >> 1462312650.09311604 vbar (14.64735s) started
T12 << 1462312650.11416006 vbar (14.66840s) stopped
T12 >> 1462312650.11423898 XC 3D grid (15485.59174s) started
T12 >> 1462312650.62075090 van der Waals (14957.60436s) started
T12 >> 1462312650.72993207 semilocal (3157.26708s) started
T12 << 1462312656.52357292 semilocal (3163.06072s) stopped
T12 >> 1462312656.59928107 redistribute (1616.56511s) started
T12 << 1462312657.60565591 redistribute (1617.57148s) stopped
T12 >> 1462312657.60569906 libvdwxc nonlocal (10079.45290s) started
T12 << 1462312675.96557808 libvdwxc nonlocal (10097.81277s) stopped
T12 >> 1462312675.96564293 redistribute (1617.57151s) started
T12 << 1462312677.66370392 redistribute (1619.26958s) stopped
T12 << 1462312677.66470695 van der Waals (14984.64831s) stopped
T12 << 1462312678.12964201 XC 3D grid (15513.60714s) stopped
T12 >> 1462312678.12968397 Poisson (3281.84020s) started
T12 << 1462312682.47036600 Poisson (3286.18088s) stopped
T12 >> 1462312682.47047305 Hartree integrate/restrict (203.10176s) started
T12 << 1462312682.51226592 Hartree integrate/restrict (203.14355s) stopped
T12 >> 1462312682.51233602 Hartree integrate/restrict (203.14360s) started
T12 << 1462312682.85351801 Hartree integrate/restrict (203.48478s) stopped
T12 >> 1462312682.85361099 Atomic (1307.81943s) started
T12 >> 1462312682.85543990 XC Correction (0.01801s) started
T12 << 1462312682.85545492 XC Correction (0.01802s) stopped
T12 << 1462312685.27481103 Atomic (1310.24063s) stopped
T12 >> 1462312685.27496600 Communicate (6406.70838s) started
T12 << 1462312700.91599894 Communicate (6422.34941s) stopped
T12 << 1462312700.91603708 Hamiltonian (26750.75079s) stopped
T12 >> 1462312700.91606307 LCAO eigensolver (37939.04855s) started
T12 >> 1462312700.91607594 Potential matrix (568.81626s) started
T12 << 1462312701.88540101 Potential matrix (569.78558s) stopped
T12 >> 1462312701.88547206 DistributedAtomicCorrection (234.96994s) started
T12 << 1462312702.33287191 DistributedAtomicCorrection (235.41734s) stopped
T12 >> 1462312702.33293104 Distribute overlap matrix (4326.37567s) started
T12 >> 1462312702.33295393 blocked summation (2416.43813s) started
T12 << 1462312706.78538609 blocked summation (2420.89056s) stopped
T12 >> 1462312706.79512906 Scalapack redistribute (1904.18095s) started
T12 << 1462312710.41520810 Scalapack redistribute (1907.80103s) stopped
T12 << 1462312710.41528010 Distribute overlap matrix (4334.45802s) stopped
T12 >> 1462312710.41983509 Blacs Orbital Layouts (31771.24471s) started
T12 >> 1462312710.42849588 General diagonalize (31642.21771s) started
T12 << 1462312764.52471209 General diagonalize (31696.31393s) stopped
T12 >> 1462312764.52476501 Redistribute coefs (4.81501s) started
T12 << 1462312764.53400397 Redistribute coefs (4.82425s) stopped
T12 >> 1462312764.53405309 Send coefs to domains (118.86688s) started
T12 << 1462312764.63627911 Send coefs to domains (118.96910s) stopped
T12 << 1462312764.63675499 Blacs Orbital Layouts (31825.46163s) stopped
T12 >> 1462312764.63678503 Calculate projections (1034.76909s) started
T12 << 1462312766.41677999 Calculate projections (1036.54908s) stopped
T12 << 1462312766.41728711 LCAO eigensolver (38004.54978s) stopped
T12 >> 1462312769.54070306 Density (9006.54955s) started
T12 >> 1462312769.54071808 Pseudo density (6956.28648s) started
T12 >> 1462312769.54362893 Calculate density matrix (6533.87534s) started
T12 << 1462312782.55185604 Calculate density matrix (6546.88357s) stopped
T12 >> 1462312782.55191207 Construct density (411.38626s) started
T12 << 1462312783.32401490 Construct density (412.15836s) stopped
T12 >> 1462312783.34060502 Symmetrize density (0.04681s) started
T12 << 1462312783.34067988 Symmetrize density (0.04688s) stopped
T12 << 1462312783.34316111 Pseudo density (6970.08893s) stopped
T12 >> 1462312783.34323001 Atomic density matrices (1808.32648s) started
T12 << 1462312786.66417289 Atomic density matrices (1811.64743s) stopped
T12 >> 1462312786.66421103 Multipole moments (6.44198s) started
T12 << 1462312786.67868304 Multipole moments (6.45646s) stopped
T12 >> 1462312786.67871594 Normalize (3.70546s) started
T12 << 1462312786.68557310 Normalize (3.71231s) stopped
T12 >> 1462312786.68561792 Mix (231.74615s) started
T12 << 1462312787.11700392 Mix (232.17753s) stopped
T12 << 1462312787.11707091 Density (9024.12591s) stopped
T12 >> 1462312787.11710095 Hamiltonian (26750.75080s) started
T12 >> 1462312787.11711693 vbar (14.66844s) started
T12 << 1462312787.14026403 vbar (14.69159s) stopped
T12 >> 1462312787.14045405 XC 3D grid (15513.60718s) started
T12 >> 1462312787.64480209 van der Waals (14984.64834s) started
T12 >> 1462312787.75788999 semilocal (3163.06083s) started
T12 << 1462312793.50542808 semilocal (3168.80837s) stopped
T12 >> 1462312793.57761002 redistribute (1619.26963s) started
T12 << 1462312794.64714098 redistribute (1620.33916s) stopped
T12 >> 1462312794.64719200 libvdwxc nonlocal (10097.81282s) started
T12 << 1462312812.71568298 libvdwxc nonlocal (10115.88132s) stopped
T12 >> 1462312812.71576595 redistribute (1620.33920s) started
T12 << 1462312814.71155906 redistribute (1622.33499s) stopped
T12 << 1462312814.71263695 van der Waals (15011.71617s) stopped
T12 << 1462312815.17507601 XC 3D grid (15541.64180s) stopped
T12 >> 1462312815.17514205 Poisson (3286.18096s) started
T12 << 1462312819.50999594 Poisson (3290.51582s) stopped
T12 >> 1462312819.51007891 Hartree integrate/restrict (203.48483s) started
T12 << 1462312819.54759908 Hartree integrate/restrict (203.52235s) stopped
T12 >> 1462312819.54771304 Hartree integrate/restrict (203.52242s) started
T12 << 1462312819.87442899 Hartree integrate/restrict (203.84914s) stopped
T12 >> 1462312819.87450910 Atomic (1310.24065s) started
T12 >> 1462312819.87635207 XC Correction (0.01803s) started
T12 << 1462312819.87636590 XC Correction (0.01805s) stopped
T12 << 1462312822.29845595 Atomic (1312.66460s) stopped
T12 >> 1462312822.29862499 Communicate (6422.34944s) started
T12 << 1462312837.87225008 Communicate (6437.92306s) stopped
T12 << 1462312837.87229300 Hamiltonian (26801.50599s) stopped
T12 >> 1462312837.87231994 LCAO eigensolver (38004.54980s) started
T12 >> 1462312837.87233400 Potential matrix (569.78563s) started
T12 << 1462312838.84258389 Potential matrix (570.75588s) stopped
T12 >> 1462312838.84267592 DistributedAtomicCorrection (235.41738s) started
T12 << 1462312839.29775405 DistributedAtomicCorrection (235.87246s) stopped
T12 >> 1462312839.29781890 Distribute overlap matrix (4334.45803s) started
T12 >> 1462312839.29784393 blocked summation (2420.89059s) started
T12 << 1462312843.73134589 blocked summation (2425.32409s) stopped
T12 >> 1462312843.74156404 Scalapack redistribute (1907.80107s) started
T12 << 1462312847.39156389 Scalapack redistribute (1911.45107s) stopped
T12 << 1462312847.39167094 Distribute overlap matrix (4342.55189s) stopped
T12 >> 1462312847.39619088 Blacs Orbital Layouts (31825.46165s) started
T12 >> 1462312847.40524912 General diagonalize (31696.31397s) started
T12 << 1462312902.86396003 General diagonalize (31751.77268s) stopped
T12 >> 1462312902.86401200 Redistribute coefs (4.82429s) started
T12 << 1462312902.87287593 Redistribute coefs (4.83315s) stopped
T12 >> 1462312902.87292290 Send coefs to domains (118.96914s) started
T12 << 1462312902.97623110 Send coefs to domains (119.07245s) stopped
T12 << 1462312902.97659492 Blacs Orbital Layouts (31881.04206s) stopped
T12 >> 1462312902.97662497 Calculate projections (1036.54914s) started
T12 << 1462312904.75627494 Calculate projections (1038.32879s) stopped
T12 << 1462312904.75665998 LCAO eigensolver (38071.43414s) stopped
T12 >> 1462312907.85253596 Density (9024.12593s) started
T12 >> 1462312907.85255098 Pseudo density (6970.08898s) started
T12 >> 1462312907.85514212 Calculate density matrix (6546.88361s) started
T12 << 1462312919.79336190 Calculate density matrix (6558.82183s) stopped
T12 >> 1462312919.79341888 Construct density (412.15842s) started
T12 << 1462312920.56440091 Construct density (412.92940s) stopped
T12 >> 1462312920.58088112 Symmetrize density (0.04690s) started
T12 << 1462312920.58095908 Symmetrize density (0.04698s) stopped
T12 << 1462312920.58339906 Pseudo density (6982.81983s) stopped
T12 >> 1462312920.58347011 Atomic density matrices (1811.64746s) started
T12 << 1462312923.90912104 Atomic density matrices (1814.97311s) stopped
T12 >> 1462312923.90915990 Multipole moments (6.45647s) started
T12 << 1462312923.92301702 Multipole moments (6.47033s) stopped
T12 >> 1462312923.92304993 Normalize (3.71234s) started
T12 << 1462312923.92957711 Normalize (3.71887s) stopped
T12 >> 1462312923.92962289 Mix (232.17760s) started
T12 << 1462312924.35917997 Mix (232.60715s) stopped
T12 << 1462312924.35925698 Density (9040.63265s) stopped
T12 >> 1462312924.35928988 Hamiltonian (26801.50600s) started
T12 >> 1462312924.35930610 vbar (14.69172s) started
T12 << 1462312924.38637090 vbar (14.71878s) stopped
T12 >> 1462312924.38653708 XC 3D grid (15541.64185s) started
T12 >> 1462312924.84494400 van der Waals (15011.71621s) started
T12 >> 1462312924.96130204 semilocal (3168.80847s) started
T12 << 1462312930.73342896 semilocal (3174.58060s) stopped
T12 >> 1462312930.80621505 redistribute (1622.33506s) started
T12 << 1462312931.84753990 redistribute (1623.37638s) stopped
T12 >> 1462312931.84758997 libvdwxc nonlocal (10115.88138s) started
T12 << 1462312949.91818094 libvdwxc nonlocal (10133.95197s) stopped
T12 >> 1462312949.91825604 redistribute (1623.37642s) started
T12 << 1462312951.84051609 redistribute (1625.29868s) stopped
T12 << 1462312951.84153891 van der Waals (15038.71280s) stopped
T12 << 1462312952.30564404 XC 3D grid (15569.56096s) stopped
T12 >> 1462312952.30570507 Poisson (3290.51588s) started
T12 << 1462312955.21057200 Poisson (3293.42074s) stopped
T12 >> 1462312955.21063495 Hartree integrate/restrict (203.84917s) started
T12 << 1462312955.24910212 Hartree integrate/restrict (203.88764s) stopped
T12 >> 1462312955.24918199 Hartree integrate/restrict (203.88769s) started
T12 << 1462312955.58594704 Hartree integrate/restrict (204.22445s) stopped
T12 >> 1462312955.58603001 Atomic (1312.66463s) started
T12 >> 1462312955.58797598 XC Correction (0.01806s) started
T12 << 1462312955.58799195 XC Correction (0.01807s) stopped
T12 << 1462312958.00489211 Atomic (1315.08349s) stopped
T12 >> 1462312958.00505590 Communicate (6437.92309s) started
T12 << 1462312973.65934491 Communicate (6453.57738s) stopped
T12 << 1462312973.65939093 Hamiltonian (26850.80611s) stopped
T12 >> 1462312973.65942001 LCAO eigensolver (38071.43416s) started
T12 >> 1462312973.65943408 Potential matrix (570.75593s) started
T12 << 1462312974.62255812 Potential matrix (571.71905s) stopped
T12 >> 1462312974.62262702 DistributedAtomicCorrection (235.87249s) started
T12 << 1462312975.05739403 DistributedAtomicCorrection (236.30726s) stopped
T12 >> 1462312975.05745292 Distribute overlap matrix (4342.55190s) started
T12 >> 1462312975.05747604 blocked summation (2425.32413s) started
T12 << 1462312979.52247405 blocked summation (2429.78913s) stopped
T12 >> 1462312979.53247809 Scalapack redistribute (1911.45113s) started
T12 << 1462312983.52909899 Scalapack redistribute (1915.44775s) stopped
T12 << 1462312983.52922392 Distribute overlap matrix (4351.02367s) stopped
T12 >> 1462312983.53388309 Blacs Orbital Layouts (31881.04208s) started
T12 >> 1462312983.54232311 General diagonalize (31751.77272s) started
T12 << 1462313036.60285306 General diagonalize (31804.83325s) stopped
T12 >> 1462313036.60289907 Redistribute coefs (4.83319s) started
T12 << 1462313036.61133289 Redistribute coefs (4.84162s) stopped
T12 >> 1462313036.61137605 Send coefs to domains (119.07249s) started
T12 << 1462313036.90156507 Send coefs to domains (119.36268s) stopped
T12 << 1462313036.90209389 Blacs Orbital Layouts (31934.41029s) stopped
T12 >> 1462313036.90212202 Calculate projections (1038.32885s) started
T12 << 1462313038.67003703 Calculate projections (1040.09676s) stopped
T12 << 1462313038.67050290 LCAO eigensolver (38136.44524s) stopped
T12 >> 1462313041.80172300 Density (9040.63266s) started
T12 >> 1462313041.80173898 Pseudo density (6982.81988s) started
T12 >> 1462313041.80418801 Calculate density matrix (6558.82187s) started
T12 << 1462313053.69003606 Calculate density matrix (6570.70771s) stopped
T12 >> 1462313053.69008303 Construct density (412.92946s) started
T12 << 1462313054.45961308 Construct density (413.69899s) stopped
T12 >> 1462313054.47397590 Symmetrize density (0.04700s) started
T12 << 1462313054.47404194 Symmetrize density (0.04706s) stopped
T12 << 1462313054.47612596 Pseudo density (6995.49427s) stopped
T12 >> 1462313054.47618508 Atomic density matrices (1814.97314s) started
T12 << 1462313057.79842305 Atomic density matrices (1818.29537s) stopped
T12 >> 1462313057.79845691 Multipole moments (6.47035s) started
T12 << 1462313057.81305695 Multipole moments (6.48495s) stopped
T12 >> 1462313057.81309009 Normalize (3.71890s) started
T12 << 1462313057.81931901 Normalize (3.72513s) stopped
T12 >> 1462313057.81941700 Mix (232.60723s) started
T12 << 1462313058.28201008 Mix (233.06982s) stopped
T12 << 1462313058.28207302 Density (9057.11301s) stopped
T12 >> 1462313058.28209996 Hamiltonian (26850.80612s) started
T12 >> 1462313058.28211403 vbar (14.71888s) started
T12 << 1462313058.30512190 vbar (14.74189s) stopped
T12 >> 1462313058.30519891 XC 3D grid (15569.56101s) started
T12 >> 1462313058.80592799 van der Waals (15038.71283s) started
T12 >> 1462313058.91576505 semilocal (3174.58073s) started
T12 << 1462313064.77362204 semilocal (3180.43859s) stopped
T12 >> 1462313064.84955812 redistribute (1625.29872s) started
T12 << 1462313065.79917598 redistribute (1626.24834s) stopped
T12 >> 1462313065.79924297 libvdwxc nonlocal (10133.95203s) started
T12 << 1462313084.32862496 libvdwxc nonlocal (10152.48141s) stopped
T12 >> 1462313084.32868791 redistribute (1626.24839s) started
T12 << 1462313086.10896397 redistribute (1628.02867s) stopped
T12 << 1462313086.11005092 van der Waals (15066.01695s) stopped
T12 << 1462313086.57308698 XC 3D grid (15597.82890s) stopped
T12 >> 1462313086.57312989 Poisson (3293.42079s) started
T12 << 1462313090.92967200 Poisson (3297.77733s) stopped
T12 >> 1462313090.92973900 Hartree integrate/restrict (204.22449s) started
T12 << 1462313090.97362304 Hartree integrate/restrict (204.26838s) stopped
T12 >> 1462313090.97367191 Hartree integrate/restrict (204.26841s) started
T12 << 1462313091.35262489 Hartree integrate/restrict (204.64736s) stopped
T12 >> 1462313091.35269403 Atomic (1315.08351s) started
T12 >> 1462313091.35452294 XC Correction (0.01808s) started
T12 << 1462313091.35455298 XC Correction (0.01811s) stopped
T12 << 1462313093.76476908 Atomic (1317.49559s) stopped
T12 >> 1462313093.76491404 Communicate (6453.57741s) started
T12 << 1462313109.85338211 Communicate (6469.66588s) stopped
T12 << 1462313109.85341907 Hamiltonian (26902.37744s) stopped
T12 >> 1462313109.85344410 LCAO eigensolver (38136.44526s) started
T12 >> 1462313109.85345697 Potential matrix (571.71909s) started
T12 << 1462313110.81958604 Potential matrix (572.68521s) stopped
T12 >> 1462313110.81964588 DistributedAtomicCorrection (236.30730s) started
T12 << 1462313111.25999188 DistributedAtomicCorrection (236.74765s) stopped
T12 >> 1462313111.26005101 Distribute overlap matrix (4351.02368s) started
T12 >> 1462313111.26007199 blocked summation (2429.78916s) started
T12 << 1462313115.67365098 blocked summation (2434.20274s) stopped
T12 >> 1462313115.68331099 Scalapack redistribute (1915.44783s) started
T12 << 1462313119.24210310 Scalapack redistribute (1919.00662s) stopped
T12 << 1462313119.24219394 Distribute overlap matrix (4359.00583s) stopped
T12 >> 1462313119.24624491 Blacs Orbital Layouts (31934.41030s) started
T12 >> 1462313119.25515795 General diagonalize (31804.83329s) started
T12 << 1462313172.23552203 General diagonalize (31857.81365s) stopped
T12 >> 1462313172.23557496 Redistribute coefs (4.84166s) started
T12 << 1462313172.24496198 Redistribute coefs (4.85104s) stopped
T12 >> 1462313172.24501705 Send coefs to domains (119.36271s) started
T12 << 1462313172.37231207 Send coefs to domains (119.49001s) stopped
T12 << 1462313172.37286806 Blacs Orbital Layouts (31987.53693s) stopped
T12 >> 1462313172.37289906 Calculate projections (1040.09682s) started
T12 << 1462313174.15469503 Calculate projections (1041.87861s) stopped
T12 << 1462313174.15493894 LCAO eigensolver (38200.74675s) stopped
T12 << 1462313177.24656701 SCF-cycle (76046.95250s) stopped
T12 >> 1462313179.40691304 Force calculation (3373.22126s) started
T12 >> 1462313179.40701199 LCAO forces (3336.63004s) started
T12 >> 1462313179.40739799 Initial (0.00098s) started
T12 << 1462313179.40740991 Initial (0.00099s) stopped
T12 >> 1462313179.41401196 Get density matrix (1748.45320s) started
T12 << 1462313188.55797291 Get density matrix (1757.59716s) stopped
T12 >> 1462313188.55802393 Potential (264.02449s) started
T12 << 1462313194.72868800 Potential (270.19515s) stopped
T12 >> 1462313194.72874904 Get density matrix (1757.59720s) started
T12 << 1462313225.76049209 Get density matrix (1788.62895s) stopped
T12 >> 1462313225.76056409 Prepare TCI loop (92.70572s) started
T12 >> 1462313225.76115894 Get neighbors (83.47924s) started
T12 << 1462313227.74370003 Get neighbors (85.46178s) stopped
T12 >> 1462313227.74494195 broadcast dH (9.17798s) started
T12 << 1462313227.90940690 broadcast dH (9.34245s) stopped
T12 << 1462313227.90945506 Prepare TCI loop (94.85462s) stopped
T12 >> 1462313227.90947604 Not so complicated loop (5.11628s) started
T12 << 1462313228.03234911 Not so complicated loop (5.23915s) stopped
T12 >> 1462313228.15782809 Complicated loop (801.16326s) started
T12 << 1462313247.67391109 Complicated loop (820.67934s) stopped
T12 >> 1462313247.67487907 Wait for sum (419.66282s) started
T12 << 1462313257.61081004 Wait for sum (429.59875s) stopped
T12 << 1462313257.61085010 LCAO forces (3414.83388s) stopped
T12 << 1462313258.49165201 Force calculation (3452.30600s) stopped
T12 >> 1462313258.50967598 Initialization (5590.10513s) started
T12 << 1462313258.50985599 Initialization (5590.10531s) stopped
T12 >> 1462313258.51008201 Initialization (5590.10533s) started
T12 << 1462313258.51021910 Initialization (5590.10546s) stopped
T12 >> 1462313258.51035905 Initialization (5590.10548s) started
T12 << 1462313258.51049209 Initialization (5590.10561s) stopped
T12 >> 1462313278.83021998 Initialization (5590.10563s) started
T12 >> 1462313278.97593904 Basic WFS set positions (3.87441s) started
T12 >> 1462313278.97596502 Redistribute (0.01324s) started
T12 << 1462313278.97609901 Redistribute (0.01338s) stopped
T12 << 1462313279.06554794 Basic WFS set positions (3.96402s) stopped
T12 >> 1462313279.06557298 Basis functions set positions (80.43554s) started
T12 << 1462313280.94105005 Basis functions set positions (82.31102s) stopped
T12 >> 1462313280.94169092 TCI: Calculate S, T, P (670.32284s) started
T12 << 1462313296.72937989 TCI: Calculate S, T, P (686.11053s) stopped
T12 >> 1462313296.72943902 blocked summation (1018.92534s) started
T12 << 1462313323.54216695 blocked summation (1045.73807s) stopped
T12 >> 1462313323.55172706 Scalapack redistribute (392.04789s) started
T12 << 1462313333.13056111 Scalapack redistribute (401.62672s) stopped
T12 >> 1462313333.13198996 blocked summation (1045.73811s) started
T12 << 1462313334.18985891 blocked summation (1046.79598s) stopped
T12 >> 1462313334.19926596 Scalapack redistribute (401.62679s) started
T12 << 1462313334.45777512 Scalapack redistribute (401.88530s) stopped
T12 >> 1462313334.45995688 Redistribute (0.10200s) started
T12 << 1462313334.46050406 Redistribute (0.10254s) stopped
T12 >> 1462313336.20056891 Redistribute (0.10256s) started
T12 << 1462313336.20106506 Redistribute (0.10306s) stopped
T12 >> 1462313336.21985698 LCAO WFS Initialize (3337.19295s) started
T12 >> 1462313336.21992993 Density initialize from wavefunctions (630.85378s) started
T12 >> 1462313336.22490811 Calculate density matrix (437.36655s) started
T12 << 1462313346.07835507 Calculate density matrix (447.22000s) stopped
T12 >> 1462313346.07841301 Construct density (33.07520s) started
T12 << 1462313346.84736896 Construct density (33.84415s) stopped
T12 >> 1462313346.86281204 Symmetrize density (0.00360s) started
T12 << 1462313346.86288190 Symmetrize density (0.00367s) stopped
T12 << 1462313350.55383706 Density initialize from wavefunctions (645.18769s) stopped
T12 >> 1462313350.55418611 Hamiltonian (2705.41186s) started
T12 >> 1462313350.55420709 vbar (1.24576s) started
T12 << 1462313350.57947898 vbar (1.27103s) stopped
T12 >> 1462313350.57956505 XC 3D grid (1284.98081s) started
T12 >> 1462313351.08122110 van der Waals (1241.39667s) started
T12 >> 1462313351.19118810 semilocal (260.86452s) started
T12 << 1462313356.93260789 semilocal (266.60594s) stopped
T12 >> 1462313357.01608205 redistribute (143.72145s) started
T12 << 1462313358.07459593 redistribute (144.77996s) stopped
T12 >> 1462313358.07466006 libvdwxc nonlocal (828.19479s) started
T12 << 1462313376.43157911 libvdwxc nonlocal (846.55171s) stopped
T12 >> 1462313376.43166208 redistribute (144.78000s) started
T12 << 1462313378.54102492 redistribute (146.88937s) stopped
T12 << 1462313378.54219007 van der Waals (1268.85764s) stopped
T12 << 1462313379.00784802 XC 3D grid (1313.40910s) stopped
T12 >> 1462313379.00790000 Poisson (663.10129s) started
T12 << 1462313390.65391588 Poisson (674.74731s) stopped
T12 >> 1462313390.65400195 Hartree integrate/restrict (16.71486s) started
T12 << 1462313390.69474411 Hartree integrate/restrict (16.75560s) stopped
T12 >> 1462313390.69488001 Hartree integrate/restrict (16.75569s) started
T12 << 1462313391.02151704 Hartree integrate/restrict (17.08233s) stopped
T12 >> 1462313391.02163506 Atomic (106.56405s) started
T12 >> 1462313391.02389503 XC Correction (0.00169s) started
T12 << 1462313391.02392411 XC Correction (0.00172s) stopped
T12 << 1462313393.39835310 Atomic (108.94077s) stopped
T12 >> 1462313393.39854503 Communicate (632.76103s) started
T12 << 1462313410.92892003 Communicate (650.29141s) stopped
T12 << 1462313410.92896509 Hamiltonian (2765.78664s) stopped
T12 << 1462313410.92898011 LCAO WFS Initialize (3411.90208s) stopped
T12 << 1462313410.94136405 Initialization (5722.21678s) stopped
T12 >> 1462313410.96805000 SCF-cycle (76046.95252s) started
T12 >> 1462313410.96809292 LCAO eigensolver (38200.74677s) started
T12 >> 1462313410.96810603 Potential matrix (572.68525s) started
T12 << 1462313411.93855190 Potential matrix (573.65569s) stopped
T12 >> 1462313411.93863511 DistributedAtomicCorrection (236.74769s) started
T12 << 1462313412.36709404 DistributedAtomicCorrection (237.17615s) stopped
T12 >> 1462313412.36714292 Distribute overlap matrix (4359.00584s) started
T12 >> 1462313412.36718106 blocked summation (2434.20278s) started
T12 << 1462313416.84505701 blocked summation (2438.68065s) stopped
T12 >> 1462313416.85454106 Scalapack redistribute (1919.00668s) started
T12 << 1462313420.39986205 Scalapack redistribute (1922.55200s) stopped
T12 << 1462313420.39995790 Distribute overlap matrix (4367.03865s) stopped
T12 >> 1462313420.40376806 Blacs Orbital Layouts (31987.53695s) started
T12 >> 1462313420.41215110 General diagonalize (31857.81370s) started
T12 << 1462313475.65983891 General diagonalize (31913.06138s) stopped
T12 >> 1462313475.65989089 Redistribute coefs (4.85109s) started
T12 << 1462313475.66877389 Redistribute coefs (4.85997s) stopped
T12 >> 1462313475.66882205 Send coefs to domains (119.49004s) started
T12 << 1462313475.86628008 Send coefs to domains (119.68750s) stopped
T12 << 1462313475.86668301 Blacs Orbital Layouts (32042.99986s) stopped
T12 >> 1462313475.86671400 Calculate projections (1041.87866s) started
T12 << 1462313477.64516902 Calculate projections (1043.65712s) stopped
T12 << 1462313477.64539409 LCAO eigensolver (38267.42407s) stopped
T12 >> 1462313480.77412105 Density (9057.11303s) started
T12 >> 1462313480.77413702 Pseudo density (6995.49432s) started
T12 >> 1462313480.77676606 Calculate density matrix (6570.70775s) started
T12 << 1462313492.51613593 Calculate density matrix (6582.44712s) stopped
T12 >> 1462313492.51619411 Construct density (413.69904s) started
T12 << 1462313493.28405309 Construct density (414.46690s) stopped
T12 >> 1462313493.29768991 Symmetrize density (0.04708s) started
T12 << 1462313493.29776096 Symmetrize density (0.04715s) stopped
T12 << 1462313493.29979491 Pseudo density (7008.01998s) stopped
T12 >> 1462313493.29986906 Atomic density matrices (1818.29540s) started
T12 << 1462313496.72182393 Atomic density matrices (1821.71735s) stopped
T12 >> 1462313496.72186494 Multipole moments (6.48497s) started
T12 << 1462313496.73647189 Multipole moments (6.49957s) stopped
T12 >> 1462313496.73649597 Normalize (3.72521s) started
T12 << 1462313496.74269295 Normalize (3.73141s) stopped
T12 >> 1462313496.74280000 Mix (233.06988s) started
T12 << 1462313497.07865191 Mix (233.40574s) stopped
T12 << 1462313497.07871795 Density (9073.41763s) stopped
T12 >> 1462313497.07874799 Hamiltonian (26902.37745s) started
T12 >> 1462313497.07876396 vbar (14.74192s) started
T12 << 1462313497.10114503 vbar (14.76430s) stopped
T12 >> 1462313497.10123396 XC 3D grid (15597.82893s) started
T12 >> 1462313497.60388303 van der Waals (15066.01698s) started
T12 >> 1462313497.71591806 semilocal (3180.43868s) started
T12 << 1462313503.50466490 semilocal (3186.22743s) stopped
T12 >> 1462313503.58325696 redistribute (1628.02872s) started
T12 << 1462313504.60529995 redistribute (1629.05076s) stopped
T12 >> 1462313504.60537195 libvdwxc nonlocal (10152.48146s) started
T12 << 1462313522.82344604 libvdwxc nonlocal (10170.69953s) stopped
T12 >> 1462313522.82352805 redistribute (1629.05082s) started
T12 << 1462313524.86070490 redistribute (1631.08799s) stopped
T12 << 1462313524.86206603 van der Waals (15093.27516s) stopped
T12 << 1462313525.32648897 XC 3D grid (15626.05418s) stopped
T12 >> 1462313525.32653809 Poisson (3297.77738s) started
T12 << 1462313529.72892404 Poisson (3302.17977s) stopped
T12 >> 1462313529.72902298 Hartree integrate/restrict (204.64739s) started
T12 << 1462313529.76616192 Hartree integrate/restrict (204.68453s) stopped
T12 >> 1462313529.76632810 Hartree integrate/restrict (204.68464s) started
T12 << 1462313530.09441590 Hartree integrate/restrict (205.01272s) stopped
T12 >> 1462313530.09452009 Atomic (1317.49561s) started
T12 >> 1462313530.09662008 XC Correction (0.01813s) started
T12 << 1462313530.09663510 XC Correction (0.01814s) stopped
T12 << 1462313532.47760105 Atomic (1319.87869s) stopped
T12 >> 1462313532.47780490 Communicate (6469.66590s) started
T12 << 1462313549.98457098 Communicate (6487.17267s) stopped
T12 << 1462313549.98461294 Hamiltonian (26955.28332s) stopped
T12 >> 1462313549.98463988 LCAO eigensolver (38267.42409s) started
T12 >> 1462313549.98465300 Potential matrix (573.65574s) started
T12 << 1462313550.96413994 Potential matrix (574.63523s) stopped
T12 >> 1462313550.96422195 DistributedAtomicCorrection (237.17618s) started
T12 << 1462313551.39367890 DistributedAtomicCorrection (237.60564s) stopped
T12 >> 1462313551.39372706 Distribute overlap matrix (4367.03867s) started
T12 >> 1462313551.39375806 blocked summation (2438.68069s) started
T12 << 1462313555.89249110 blocked summation (2443.17942s) stopped
T12 >> 1462313555.90210509 Scalapack redistribute (1922.55205s) started
T12 << 1462313559.50185895 Scalapack redistribute (1926.15180s) stopped
T12 << 1462313559.50197196 Distribute overlap matrix (4375.14691s) stopped
T12 >> 1462313559.50641394 Blacs Orbital Layouts (32042.99988s) started
T12 >> 1462313559.51517010 General diagonalize (31913.06143s) started
T12 << 1462313614.86091709 General diagonalize (31968.40717s) stopped
T12 >> 1462313614.86096191 Redistribute coefs (4.86001s) started
T12 << 1462313614.86953497 Redistribute coefs (4.86858s) stopped
T12 >> 1462313614.86957502 Send coefs to domains (119.68754s) started
T12 << 1462313614.97694707 Send coefs to domains (119.79491s) stopped
T12 << 1462313614.97741008 Blacs Orbital Layouts (32098.47088s) stopped
T12 >> 1462313614.97743797 Calculate projections (1043.65718s) started
T12 << 1462313616.74603605 Calculate projections (1045.42577s) stopped
T12 << 1462313616.74657297 LCAO eigensolver (38334.18603s) stopped
T12 >> 1462313619.87510705 Density (9073.41764s) started
T12 >> 1462313619.87512207 Pseudo density (7008.02004s) started
T12 >> 1462313619.87781000 Calculate density matrix (6582.44715s) started
T12 << 1462313631.61499310 Calculate density matrix (6594.18434s) stopped
T12 >> 1462313631.61504197 Construct density (414.46696s) started
T12 << 1462313632.38528490 Construct density (415.23720s) stopped
T12 >> 1462313632.40154505 Symmetrize density (0.04717s) started
T12 << 1462313632.40161395 Symmetrize density (0.04724s) stopped
T12 << 1462313632.40416193 Pseudo density (7020.54908s) stopped
T12 >> 1462313632.40422201 Atomic density matrices (1821.71739s) started
T12 << 1462313635.86591506 Atomic density matrices (1825.17908s) stopped
T12 >> 1462313635.86596704 Multipole moments (6.49959s) started
T12 << 1462313635.88063312 Multipole moments (6.51425s) stopped
T12 >> 1462313635.88065696 Normalize (3.73149s) started
T12 << 1462313635.88852096 Normalize (3.73936s) stopped
T12 >> 1462313635.88857007 Mix (233.40580s) started
T12 << 1462313636.27400303 Mix (233.79123s) stopped
T12 << 1462313636.27405810 Density (9089.81659s) stopped
T12 >> 1462313636.27408695 Hamiltonian (26955.28333s) started
T12 >> 1462313636.27410102 vbar (14.76435s) started
T12 << 1462313636.29746604 vbar (14.78771s) stopped
T12 >> 1462313636.29757690 XC 3D grid (15626.05422s) started
T12 >> 1462313636.79966092 van der Waals (15093.27520s) started
T12 >> 1462313636.91960406 semilocal (3186.22754s) started
T12 << 1462313642.78024793 semilocal (3192.08818s) stopped
T12 >> 1462313642.85643506 redistribute (1631.08805s) started
T12 << 1462313643.80755091 redistribute (1632.03917s) stopped
T12 >> 1462313643.80759311 libvdwxc nonlocal (10170.69959s) started
T12 << 1462313662.12507701 libvdwxc nonlocal (10189.01708s) stopped
T12 >> 1462313662.12514091 redistribute (1632.03920s) started
T12 << 1462313663.83231211 redistribute (1633.74637s) stopped
T12 << 1462313663.83347011 van der Waals (15120.30901s) stopped
T12 << 1462313664.29921794 XC 3D grid (15654.05586s) stopped
T12 >> 1462313664.29926300 Poisson (3302.17984s) started
T12 << 1462313672.86137605 Poisson (3310.74196s) stopped
T12 >> 1462313672.86144400 Hartree integrate/restrict (205.01278s) started
T12 << 1462313672.90540099 Hartree integrate/restrict (205.05673s) stopped
T12 >> 1462313672.90544605 Hartree integrate/restrict (205.05676s) started
T12 << 1462313673.21462202 Hartree integrate/restrict (205.36594s) stopped
T12 >> 1462313673.21471190 Atomic (1319.87872s) started
T12 >> 1462313673.21650600 XC Correction (0.01815s) started
T12 << 1462313673.21653104 XC Correction (0.01818s) stopped
T12 << 1462313675.60106897 Atomic (1322.26507s) stopped
T12 >> 1462313675.60123706 Communicate (6487.17270s) started
T12 << 1462313693.17302203 Communicate (6504.74448s) stopped
T12 << 1462313693.17305708 Hamiltonian (27012.18230s) stopped
T12 >> 1462313693.17308092 LCAO eigensolver (38334.18604s) started
T12 >> 1462313693.17309403 Potential matrix (574.63527s) started
T12 << 1462313694.14606810 Potential matrix (575.60825s) stopped
T12 >> 1462313694.14613891 DistributedAtomicCorrection (237.60568s) started
T12 << 1462313694.58556795 DistributedAtomicCorrection (238.04511s) stopped
T12 >> 1462313694.58561492 Distribute overlap matrix (4375.14693s) started
T12 >> 1462313694.58564401 blocked summation (2443.17948s) started
T12 << 1462313699.09242201 blocked summation (2447.68626s) stopped
T12 >> 1462313699.10225391 Scalapack redistribute (1926.15187s) started
T12 << 1462313702.71890593 Scalapack redistribute (1929.76852s) stopped
T12 << 1462313702.71899605 Distribute overlap matrix (4383.28031s) stopped
T12 >> 1462313702.72362804 Blacs Orbital Layouts (32098.47090s) started
T12 >> 1462313702.73229408 General diagonalize (31968.40721s) started
T12 << 1462313757.66928101 General diagonalize (32023.34420s) stopped
T12 >> 1462313757.66933799 Redistribute coefs (4.86861s) started
T12 << 1462313757.67916989 Redistribute coefs (4.87844s) stopped
T12 >> 1462313757.67921996 Send coefs to domains (119.79495s) started
T12 << 1462313757.92229104 Send coefs to domains (120.03802s) stopped
T12 << 1462313757.92268801 Blacs Orbital Layouts (32153.66996s) stopped
T12 >> 1462313757.92271709 Calculate projections (1045.42582s) started
T12 << 1462313759.69225192 Calculate projections (1047.19536s) stopped
T12 << 1462313759.69261289 LCAO eigensolver (38400.70558s) stopped
T12 >> 1462313762.81657791 Density (9089.81661s) started
T12 >> 1462313762.81659389 Pseudo density (7020.54913s) started
T12 >> 1462313762.81936312 Calculate density matrix (6594.18437s) started
T12 << 1462313774.57640696 Calculate density matrix (6605.94141s) stopped
T12 >> 1462313774.57645702 Construct density (415.23725s) started
T12 << 1462313775.34522009 Construct density (416.00601s) stopped
T12 >> 1462313775.36220908 Symmetrize density (0.04726s) started
T12 << 1462313775.36227489 Symmetrize density (0.04732s) stopped
T12 << 1462313775.36475706 Pseudo density (7033.09729s) stopped
T12 >> 1462313775.36481905 Atomic density matrices (1825.17912s) started
T12 << 1462313778.80546594 Atomic density matrices (1828.61977s) stopped
T12 >> 1462313778.80549788 Multipole moments (6.51427s) started
T12 << 1462313778.82015991 Multipole moments (6.52893s) stopped
T12 >> 1462313778.82018399 Normalize (3.73939s) started
T12 << 1462313778.82809210 Normalize (3.74730s) stopped
T12 >> 1462313778.82813907 Mix (233.79129s) started
T12 << 1462313779.25326490 Mix (234.21641s) stopped
T12 << 1462313779.25332308 Density (9106.25335s) stopped
T12 >> 1462313779.25335193 Hamiltonian (27012.18231s) started
T12 >> 1462313779.25336790 vbar (14.78778s) started
T12 << 1462313779.28067589 vbar (14.81509s) stopped
T12 >> 1462313779.28079796 XC 3D grid (15654.05590s) started
T12 >> 1462313779.77266312 van der Waals (15120.30903s) started
T12 >> 1462313779.88752294 semilocal (3192.08823s) started
T12 << 1462313785.73094797 semilocal (3197.93165s) stopped
T12 >> 1462313785.80353189 redistribute (1633.74643s) started
T12 << 1462313786.74279594 redistribute (1634.68569s) stopped
T12 >> 1462313786.74284196 libvdwxc nonlocal (10189.01712s) started
T12 << 1462313804.93972301 libvdwxc nonlocal (10207.21401s) stopped
T12 >> 1462313804.93978691 redistribute (1634.68572s) started
T12 << 1462313806.64919400 redistribute (1636.39513s) stopped
T12 << 1462313806.65023494 van der Waals (15147.18660s) stopped
T12 << 1462313807.11245704 XC 3D grid (15681.88756s) stopped
T12 >> 1462313807.11250710 Poisson (3310.74201s) started
T12 << 1462313812.92341709 Poisson (3316.55292s) stopped
T12 >> 1462313812.92354107 Hartree integrate/restrict (205.36599s) started
T12 << 1462313812.96529508 Hartree integrate/restrict (205.40774s) stopped
T12 >> 1462313812.96535897 Hartree integrate/restrict (205.40778s) started
T12 << 1462313813.27651811 Hartree integrate/restrict (205.71894s) stopped
T12 >> 1462313813.27661395 Atomic (1322.26510s) started
T12 >> 1462313813.27839994 XC Correction (0.01819s) started
T12 << 1462313813.27842498 XC Correction (0.01822s) stopped
T12 << 1462313815.65848804 Atomic (1324.64697s) stopped
T12 >> 1462313815.65864897 Communicate (6504.74450s) started
T12 << 1462313833.14122105 Communicate (6522.22708s) stopped
T12 << 1462313833.14124799 Hamiltonian (27066.07021s) stopped
T12 >> 1462313833.14127111 LCAO eigensolver (38400.70560s) started
T12 >> 1462313833.14128304 Potential matrix (575.60829s) started
T12 << 1462313834.11185288 Potential matrix (576.57886s) stopped
T12 >> 1462313834.11193895 DistributedAtomicCorrection (238.04515s) started
T12 << 1462313834.54893994 DistributedAtomicCorrection (238.48215s) stopped
T12 >> 1462313834.54898906 Distribute overlap matrix (4383.28032s) started
T12 >> 1462313834.54901791 blocked summation (2447.68628s) started
T12 << 1462313839.04580212 blocked summation (2452.18307s) stopped
T12 >> 1462313839.05517292 Scalapack redistribute (1929.76857s) started
T12 << 1462313842.80635309 Scalapack redistribute (1933.51975s) stopped
T12 << 1462313842.80644798 Distribute overlap matrix (4391.53778s) stopped
T12 >> 1462313842.81131792 Blacs Orbital Layouts (32153.66998s) started
T12 >> 1462313842.81994390 General diagonalize (32023.34424s) started
T12 << 1462313895.79706311 General diagonalize (32076.32136s) stopped
T12 >> 1462313895.79710889 Redistribute coefs (4.87848s) started
T12 << 1462313895.80533409 Redistribute coefs (4.88671s) stopped
T12 >> 1462313895.80540299 Send coefs to domains (120.03806s) started
T12 << 1462313895.96273804 Send coefs to domains (120.19539s) stopped
T12 << 1462313895.96309590 Blacs Orbital Layouts (32206.82176s) stopped
T12 >> 1462313895.96312499 Calculate projections (1047.19540s) started
T12 << 1462313897.73097992 Calculate projections (1048.96326s) stopped
T12 << 1462313897.73116708 LCAO eigensolver (38465.29549s) stopped
T12 >> 1462313900.85815501 Density (9106.25337s) started
T12 >> 1462313900.85819411 Pseudo density (7033.09734s) started
T12 >> 1462313900.86094999 Calculate density matrix (6605.94145s) started
T12 << 1462313912.60180593 Calculate density matrix (6617.68230s) stopped
T12 >> 1462313912.60185504 Construct density (416.00607s) started
T12 << 1462313913.37160897 Construct density (416.77582s) stopped
T12 >> 1462313913.38905191 Symmetrize density (0.04734s) started
T12 << 1462313913.38911700 Symmetrize density (0.04741s) stopped
T12 << 1462313913.39160395 Pseudo density (7045.63075s) stopped
T12 >> 1462313913.39166307 Atomic density matrices (1828.61980s) started
T12 << 1462313916.87130094 Atomic density matrices (1832.09943s) stopped
T12 >> 1462313916.87133288 Multipole moments (6.52895s) started
T12 << 1462313916.88608909 Multipole moments (6.54370s) stopped
T12 >> 1462313916.88612199 Normalize (3.74733s) started
T12 << 1462313916.89549398 Normalize (3.75670s) stopped
T12 >> 1462313916.89554095 Mix (234.21647s) started
T12 << 1462313917.34123611 Mix (234.66216s) stopped
T12 << 1462313917.34129906 Density (9122.73651s) stopped
T12 >> 1462313917.34132409 Hamiltonian (27066.07022s) started
T12 >> 1462313917.34133911 vbar (14.81517s) started
T12 << 1462313917.37378502 vbar (14.84762s) stopped
T12 >> 1462313917.37394691 XC 3D grid (15681.88760s) started
T12 >> 1462313917.85821199 van der Waals (15147.18663s) started
T12 >> 1462313917.97023106 semilocal (3197.93170s) started
T12 << 1462313923.81509590 semilocal (3203.77656s) stopped
T12 >> 1462313923.89218307 redistribute (1636.39519s) started
T12 << 1462313924.84214807 redistribute (1637.34516s) stopped
T12 >> 1462313924.84219193 libvdwxc nonlocal (10207.21406s) started
T12 << 1462313943.03131390 libvdwxc nonlocal (10225.40318s) stopped
T12 >> 1462313943.03138208 redistribute (1637.34519s) started
T12 << 1462313944.77248597 redistribute (1639.08629s) stopped
T12 << 1462313944.77331591 van der Waals (15174.10174s) stopped
T12 << 1462313945.23719406 XC 3D grid (15709.75084s) stopped
T12 >> 1462313945.23725104 Poisson (3316.55301s) started
T12 << 1462313949.60039401 Poisson (3320.91615s) stopped
T12 >> 1462313949.60048008 Hartree integrate/restrict (205.71899s) started
T12 << 1462313949.64552689 Hartree integrate/restrict (205.76404s) stopped
T12 >> 1462313949.64561510 Hartree integrate/restrict (205.76410s) started
T12 << 1462313949.98404789 Hartree integrate/restrict (206.10253s) stopped
T12 >> 1462313949.98413610 Atomic (1324.64699s) started
T12 >> 1462313949.98595905 XC Correction (0.01823s) started
T12 << 1462313949.98597407 XC Correction (0.01824s) stopped
T12 << 1462313952.34888506 Atomic (1327.01174s) stopped
T12 >> 1462313952.34905601 Communicate (6522.22709s) started
T12 << 1462313968.97683501 Communicate (6538.85487s) stopped
T12 << 1462313968.97687006 Hamiltonian (27117.70577s) stopped
T12 >> 1462313968.97689509 LCAO eigensolver (38465.29551s) started
T12 >> 1462313968.97690797 Potential matrix (576.57891s) started
T12 << 1462313969.95324302 Potential matrix (577.55524s) stopped
T12 >> 1462313969.95332909 DistributedAtomicCorrection (238.48219s) started
T12 << 1462313970.38335490 DistributedAtomicCorrection (238.91221s) stopped
T12 >> 1462313970.38340402 Distribute overlap matrix (4391.53779s) started
T12 >> 1462313970.38343310 blocked summation (2452.18310s) started
T12 << 1462313974.88309097 blocked summation (2456.68276s) stopped
T12 >> 1462313974.89246893 Scalapack redistribute (1933.51981s) started
T12 << 1462313978.56328201 Scalapack redistribute (1937.19062s) stopped
T12 << 1462313978.56338000 Distribute overlap matrix (4399.71777s) stopped
T12 >> 1462313978.56800890 Blacs Orbital Layouts (32206.82178s) started
T12 >> 1462313978.57702208 General diagonalize (32076.32140s) started
T12 << 1462314034.07383895 General diagonalize (32131.81822s) stopped
T12 >> 1462314034.07388806 Redistribute coefs (4.88676s) started
T12 << 1462314034.08226490 Redistribute coefs (4.89514s) stopped
T12 >> 1462314034.08230996 Send coefs to domains (120.19543s) started
T12 << 1462314034.18436003 Send coefs to domains (120.29748s) stopped
T12 << 1462314034.18468904 Blacs Orbital Layouts (32262.43846s) stopped
T12 >> 1462314034.18471694 Calculate projections (1048.96331s) started
T12 << 1462314035.95241690 Calculate projections (1050.73101s) stopped
T12 << 1462314035.95259500 LCAO eigensolver (38532.27121s) stopped
T12 >> 1462314039.07386708 Density (9122.73653s) started
T12 >> 1462314039.07388210 Pseudo density (7045.63080s) started
T12 >> 1462314039.07670903 Calculate density matrix (6617.68233s) started
T12 << 1462314052.11614394 Calculate density matrix (6630.72177s) stopped
T12 >> 1462314052.11619306 Construct density (416.77587s) started
T12 << 1462314052.88553190 Construct density (417.54521s) stopped
T12 >> 1462314052.90194106 Symmetrize density (0.04742s) started
T12 << 1462314052.90199804 Symmetrize density (0.04748s) stopped
T12 << 1462314052.90446997 Pseudo density (7059.46138s) stopped
T12 >> 1462314052.90452909 Atomic density matrices (1832.09946s) started
T12 << 1462314056.24385500 Atomic density matrices (1835.43878s) stopped
T12 >> 1462314056.24388909 Multipole moments (6.54372s) started
T12 << 1462314056.25849390 Multipole moments (6.55833s) stopped
T12 >> 1462314056.25852704 Normalize (3.75674s) started
T12 << 1462314056.26790500 Normalize (3.76612s) stopped
T12 >> 1462314056.26797009 Mix (234.66223s) started
T12 << 1462314056.74461102 Mix (235.13887s) stopped
T12 << 1462314056.74466395 Density (9140.40732s) stopped
T12 >> 1462314056.74468994 Hamiltonian (27117.70578s) started
T12 >> 1462314056.74470401 vbar (14.84772s) started
T12 << 1462314056.77012110 vbar (14.87313s) stopped
T12 >> 1462314056.77023602 XC 3D grid (15709.75089s) started
T12 >> 1462314057.29745293 van der Waals (15174.10176s) started
T12 >> 1462314057.41012192 semilocal (3203.77666s) started
T12 << 1462314063.16839695 semilocal (3209.53493s) stopped
T12 >> 1462314063.24660492 redistribute (1639.08634s) started
T12 << 1462314064.26875997 redistribute (1640.10850s) stopped
T12 >> 1462314064.26881599 libvdwxc nonlocal (10225.40323s) started
T12 << 1462314082.77291012 libvdwxc nonlocal (10243.90732s) stopped
T12 >> 1462314082.77297711 redistribute (1640.10853s) started
T12 << 1462314084.51515388 redistribute (1641.85071s) stopped
T12 << 1462314084.51600504 van der Waals (15201.32031s) stopped
T12 << 1462314084.98938704 XC 3D grid (15737.97004s) stopped
T12 >> 1462314084.98944998 Poisson (3320.91621s) started
T12 << 1462314090.84771490 Poisson (3326.77448s) stopped
T12 >> 1462314090.84783411 Hartree integrate/restrict (206.10257s) started
T12 << 1462314090.89196801 Hartree integrate/restrict (206.14670s) stopped
T12 >> 1462314090.89204502 Hartree integrate/restrict (206.14676s) started
T12 << 1462314091.20313311 Hartree integrate/restrict (206.45784s) stopped
T12 >> 1462314091.20323205 Atomic (1327.01176s) started
T12 >> 1462314091.20500207 XC Correction (0.01825s) started
T12 << 1462314091.20501709 XC Correction (0.01827s) stopped
T12 << 1462314093.60189104 Atomic (1329.41042s) stopped
T12 >> 1462314093.60205412 Communicate (6538.85490s) started
T12 << 1462314109.71166205 Communicate (6554.96450s) stopped
T12 << 1462314109.71169591 Hamiltonian (27170.67279s) stopped
T12 >> 1462314109.71171999 LCAO eigensolver (38532.27123s) started
T12 >> 1462314109.71173406 Potential matrix (577.55530s) started
T12 << 1462314110.69215989 Potential matrix (578.53572s) stopped
T12 >> 1462314110.69223094 DistributedAtomicCorrection (238.91225s) started
T12 << 1462314111.12433600 DistributedAtomicCorrection (239.34436s) stopped
T12 >> 1462314111.12439609 Distribute overlap matrix (4399.71778s) started
T12 >> 1462314111.12441802 blocked summation (2456.68279s) started
T12 << 1462314115.73411989 blocked summation (2461.29249s) stopped
T12 >> 1462314115.74378300 Scalapack redistribute (1937.19068s) started
T12 << 1462314119.23646402 Scalapack redistribute (1940.68336s) stopped
T12 << 1462314119.23655891 Distribute overlap matrix (4407.82995s) stopped
T12 >> 1462314119.24141693 Blacs Orbital Layouts (32262.43848s) started
T12 >> 1462314119.25016999 General diagonalize (32131.81826s) started
T12 << 1462314175.21273303 General diagonalize (32187.78082s) stopped
T12 >> 1462314175.21278310 Redistribute coefs (4.89517s) started
T12 << 1462314175.22121096 Redistribute coefs (4.90360s) stopped
T12 >> 1462314175.22125411 Send coefs to domains (120.29751s) started
T12 << 1462314175.35039401 Send coefs to domains (120.42665s) stopped
T12 << 1462314175.35083294 Blacs Orbital Layouts (32318.54789s) stopped
T12 >> 1462314175.35086703 Calculate projections (1050.73106s) started
T12 << 1462314177.12393904 Calculate projections (1052.50413s) stopped
T12 << 1462314177.12412691 LCAO eigensolver (38599.68363s) stopped
T12 >> 1462314180.24689794 Density (9140.40733s) started
T12 >> 1462314180.24691391 Pseudo density (7059.46143s) started
T12 >> 1462314180.24954510 Calculate density matrix (6630.72180s) started
T12 << 1462314192.21580291 Calculate density matrix (6642.68806s) stopped
T12 >> 1462314192.21585202 Construct density (417.54526s) started
T12 << 1462314192.98431611 Construct density (418.31372s) stopped
T12 >> 1462314193.00037003 Symmetrize density (0.04749s) started
T12 << 1462314193.00042701 Symmetrize density (0.04755s) stopped
T12 << 1462314193.00288510 Pseudo density (7072.21740s) stopped
T12 >> 1462314193.00294304 Atomic density matrices (1835.43881s) started
T12 << 1462314196.37510300 Atomic density matrices (1838.81097s) stopped
T12 >> 1462314196.37513709 Multipole moments (6.55834s) started
T12 << 1462314196.38978791 Multipole moments (6.57299s) stopped
T12 >> 1462314196.38982010 Normalize (3.76617s) started
T12 << 1462314196.39637494 Normalize (3.77272s) stopped
T12 >> 1462314196.39641404 Mix (235.13892s) started
T12 << 1462314196.87246990 Mix (235.61497s) stopped
T12 << 1462314196.87252212 Density (9157.03296s) stopped
T12 >> 1462314196.87254691 Hamiltonian (27170.67280s) started
T12 >> 1462314196.87256002 vbar (14.87320s) started
T12 << 1462314196.89293408 vbar (14.89358s) stopped
T12 >> 1462314196.89301991 XC 3D grid (15737.97009s) started
T12 >> 1462314197.45079303 van der Waals (15201.32036s) started
T12 >> 1462314197.56928611 semilocal (3209.53500s) started
T12 << 1462314203.39593101 semilocal (3215.36164s) stopped
T12 >> 1462314203.46916795 redistribute (1641.85077s) started
T12 << 1462314204.47637892 redistribute (1642.85798s) stopped
T12 >> 1462314204.47642207 libvdwxc nonlocal (10243.90737s) started
T12 << 1462314223.05790591 libvdwxc nonlocal (10262.48886s) stopped
T12 >> 1462314223.05795789 redistribute (1642.85801s) started
T12 << 1462314224.74742889 redistribute (1644.54748s) stopped
T12 << 1462314224.74858403 van der Waals (15228.61815s) stopped
T12 << 1462314225.21513891 XC 3D grid (15766.29221s) stopped
T12 >> 1462314225.21517897 Poisson (3326.77458s) started
T12 << 1462314229.56963992 Poisson (3331.12904s) stopped
T12 >> 1462314229.56970406 Hartree integrate/restrict (206.45790s) started
T12 << 1462314229.61880398 Hartree integrate/restrict (206.50700s) stopped
T12 >> 1462314229.61884809 Hartree integrate/restrict (206.50702s) started
T12 << 1462314229.92840600 Hartree integrate/restrict (206.81658s) stopped
T12 >> 1462314229.92850399 Atomic (1329.41045s) started
T12 >> 1462314229.93031096 XC Correction (0.01828s) started
T12 << 1462314229.93033600 XC Correction (0.01830s) stopped
T12 << 1462314232.31993604 Atomic (1331.80188s) stopped
T12 >> 1462314232.32009506 Communicate (6554.96453s) started
T12 << 1462314248.43972492 Communicate (6571.08416s) stopped
T12 << 1462314248.43976212 Hamiltonian (27222.24001s) stopped
T12 >> 1462314248.43979192 LCAO eigensolver (38599.68365s) started
T12 >> 1462314248.43980598 Potential matrix (578.53576s) started
T12 << 1462314249.41462803 Potential matrix (579.51059s) stopped
T12 >> 1462314249.41470003 DistributedAtomicCorrection (239.34440s) started
T12 << 1462314249.84314609 DistributedAtomicCorrection (239.77284s) stopped
T12 >> 1462314249.84320688 Distribute overlap matrix (4407.82996s) started
T12 >> 1462314249.84322810 blocked summation (2461.29252s) started
T12 << 1462314254.33998394 blocked summation (2465.78928s) stopped
T12 >> 1462314254.34980106 Scalapack redistribute (1940.68342s) started
T12 << 1462314258.02854395 Scalapack redistribute (1944.36216s) stopped
T12 << 1462314258.02864003 Distribute overlap matrix (4416.01539s) stopped
T12 >> 1462314258.03360701 Blacs Orbital Layouts (32318.54791s) started
T12 >> 1462314258.04233789 General diagonalize (32187.78086s) started
T12 << 1462314313.33031201 General diagonalize (32243.06883s) stopped
T12 >> 1462314313.33035803 Redistribute coefs (4.90363s) started
T12 << 1462314313.33880210 Redistribute coefs (4.91208s) stopped
T12 >> 1462314313.33888006 Send coefs to domains (120.42668s) started
T12 << 1462314313.45396996 Send coefs to domains (120.54177s) stopped
T12 << 1462314313.45435500 Blacs Orbital Layouts (32373.96866s) stopped
T12 >> 1462314313.45438409 Calculate projections (1052.50418s) started
T12 << 1462314315.22839689 Calculate projections (1054.27819s) stopped
T12 << 1462314315.22858691 LCAO eigensolver (38666.47245s) stopped
T12 >> 1462314318.35501504 Density (9157.03297s) started
T12 >> 1462314318.35503101 Pseudo density (7072.21745s) started
T12 >> 1462314318.35780311 Calculate density matrix (6642.68809s) started
T12 << 1462314330.31361794 Calculate density matrix (6654.64391s) stopped
T12 >> 1462314330.31366611 Construct density (418.31377s) started
T12 << 1462314331.08557200 Construct density (419.08568s) stopped
T12 >> 1462314331.10198307 Symmetrize density (0.04757s) started
T12 << 1462314331.10203695 Symmetrize density (0.04762s) stopped
T12 << 1462314331.10454392 Pseudo density (7084.96696s) stopped
T12 >> 1462314331.10460305 Atomic density matrices (1838.81099s) started
T12 << 1462314334.52737999 Atomic density matrices (1842.23377s) stopped
T12 >> 1462314334.52741408 Multipole moments (6.57301s) started
T12 << 1462314334.54196692 Multipole moments (6.58756s) stopped
T12 >> 1462314334.54200006 Normalize (3.77275s) started
T12 << 1462314334.54882407 Normalize (3.77957s) stopped
T12 >> 1462314334.54886198 Mix (235.61502s) started
T12 << 1462314334.97457004 Mix (236.04073s) stopped
T12 << 1462314334.97463703 Density (9173.65259s) stopped
T12 >> 1462314334.97466397 Hamiltonian (27222.24003s) started
T12 >> 1462314334.97467899 vbar (14.89363s) started
T12 << 1462314334.99845791 vbar (14.91740s) stopped
T12 >> 1462314334.99857211 XC 3D grid (15766.29224s) started
T12 >> 1462314335.52502489 van der Waals (15228.61818s) started
T12 >> 1462314335.63789392 semilocal (3215.36171s) started
T12 << 1462314341.46384907 semilocal (3221.18767s) stopped
T12 >> 1462314341.53696203 redistribute (1644.54754s) started
T12 << 1462314342.49284410 redistribute (1645.50342s) stopped
T12 >> 1462314342.49288511 libvdwxc nonlocal (10262.48890s) started
T12 << 1462314361.03210807 libvdwxc nonlocal (10281.02812s) stopped
T12 >> 1462314361.03217292 redistribute (1645.50345s) started
T12 << 1462314362.73171997 redistribute (1647.20300s) stopped
T12 << 1462314362.73283100 van der Waals (15255.82599s) stopped
T12 << 1462314363.19576597 XC 3D grid (15794.48944s) stopped
T12 >> 1462314363.19584107 Poisson (3331.12908s) started
T12 << 1462314367.63000607 Poisson (3335.56325s) stopped
T12 >> 1462314367.63007593 Hartree integrate/restrict (206.81663s) started
T12 << 1462314367.68273902 Hartree integrate/restrict (206.86930s) stopped
T12 >> 1462314367.68280506 Hartree integrate/restrict (206.86934s) started
T12 << 1462314368.01986098 Hartree integrate/restrict (207.20640s) stopped
T12 >> 1462314368.01994991 Atomic (1331.80190s) started
T12 >> 1462314368.02169895 XC Correction (0.01832s) started
T12 << 1462314368.02171397 XC Correction (0.01833s) stopped
T12 << 1462314370.41297507 Atomic (1334.19493s) stopped
T12 >> 1462314370.41312790 Communicate (6571.08418s) started
T12 << 1462314386.48289108 Communicate (6587.15394s) stopped
T12 << 1462314386.48292804 Hamiltonian (27273.74829s) stopped
T12 >> 1462314386.48295307 LCAO eigensolver (38666.47247s) started
T12 >> 1462314386.48296595 Potential matrix (579.51063s) started
T12 << 1462314387.45883989 Potential matrix (580.48650s) stopped
T12 >> 1462314387.45892596 DistributedAtomicCorrection (239.77288s) started
T12 << 1462314387.89153695 DistributedAtomicCorrection (240.20549s) stopped
T12 >> 1462314387.89159703 Distribute overlap matrix (4416.01540s) started
T12 >> 1462314387.89161897 blocked summation (2465.78931s) started
T12 << 1462314392.40048504 blocked summation (2470.29818s) stopped
T12 >> 1462314392.40955901 Scalapack redistribute (1944.36222s) started
T12 << 1462314396.05784607 Scalapack redistribute (1948.01051s) stopped
T12 << 1462314396.05794191 Distribute overlap matrix (4424.18175s) stopped
T12 >> 1462314396.06244993 Blacs Orbital Layouts (32373.96868s) started
T12 >> 1462314396.07116199 General diagonalize (32243.06887s) started
T12 << 1462314449.69035602 General diagonalize (32296.68806s) stopped
T12 >> 1462314449.69040203 Redistribute coefs (4.91214s) started
T12 << 1462314449.69846106 Redistribute coefs (4.92020s) stopped
T12 >> 1462314449.69850206 Send coefs to domains (120.54181s) started
T12 << 1462314449.81832004 Send coefs to domains (120.66162s) stopped
T12 << 1462314449.81880808 Blacs Orbital Layouts (32427.72504s) stopped
T12 >> 1462314449.81883597 Calculate projections (1054.27824s) started
T12 << 1462314451.58675504 Calculate projections (1056.04616s) stopped
T12 << 1462314451.58694410 LCAO eigensolver (38731.57646s) stopped
T12 >> 1462314454.69866705 Density (9173.65261s) started
T12 >> 1462314454.69868207 Pseudo density (7084.96701s) started
T12 >> 1462314454.70174003 Calculate density matrix (6654.64394s) started
T12 << 1462314466.58391190 Calculate density matrix (6666.52611s) stopped
T12 >> 1462314466.58395910 Construct density (419.08573s) started
T12 << 1462314467.35395598 Construct density (419.85572s) stopped
T12 >> 1462314467.37029696 Symmetrize density (0.04764s) started
T12 << 1462314467.37035394 Symmetrize density (0.04769s) stopped
T12 << 1462314467.37283206 Pseudo density (7097.64116s) stopped
T12 >> 1462314467.37289190 Atomic density matrices (1842.23380s) started
T12 << 1462314470.73577690 Atomic density matrices (1845.59668s) stopped
T12 >> 1462314470.73581409 Multipole moments (6.58758s) started
T12 << 1462314470.75042391 Multipole moments (6.60219s) stopped
T12 >> 1462314470.75045800 Normalize (3.77960s) started
T12 << 1462314470.75807309 Normalize (3.78721s) stopped
T12 >> 1462314470.75811601 Mix (236.04080s) started
T12 << 1462314471.19721699 Mix (236.47990s) stopped
T12 << 1462314471.19730496 Density (9190.15124s) stopped
T12 >> 1462314471.19734311 Hamiltonian (27273.74831s) started
T12 >> 1462314471.19736004 vbar (14.91747s) started
T12 << 1462314471.22573709 vbar (14.94585s) stopped
T12 >> 1462314471.22584510 XC 3D grid (15794.48950s) started
T12 >> 1462314471.74878812 van der Waals (15255.82601s) started
T12 >> 1462314471.86324191 semilocal (3221.18773s) started
T12 << 1462314477.58393693 semilocal (3226.90843s) stopped
T12 >> 1462314477.65970206 redistribute (1647.20306s) started
T12 << 1462314478.72313309 redistribute (1648.26649s) stopped
T12 >> 1462314478.72317600 libvdwxc nonlocal (10281.02817s) started
T12 << 1462314497.21500611 libvdwxc nonlocal (10299.52000s) stopped
T12 >> 1462314497.21504903 redistribute (1648.26652s) started
T12 << 1462314498.89862490 redistribute (1649.95010s) stopped
T12 << 1462314498.89978099 van der Waals (15282.97700s) stopped
T12 << 1462314499.36815596 XC 3D grid (15822.63181s) stopped
T12 >> 1462314499.36819911 Poisson (3335.56330s) started
T12 << 1462314502.42348695 Poisson (3338.61859s) stopped
T12 >> 1462314502.42356300 Hartree integrate/restrict (207.20645s) started
T12 << 1462314502.46739602 Hartree integrate/restrict (207.25028s) stopped
T12 >> 1462314502.46745706 Hartree integrate/restrict (207.25032s) started
T12 << 1462314502.78002000 Hartree integrate/restrict (207.56288s) stopped
T12 >> 1462314502.78011703 Atomic (1334.19495s) started
T12 >> 1462314502.78188109 XC Correction (0.01834s) started
T12 << 1462314502.78189802 XC Correction (0.01836s) stopped
T12 << 1462314505.17273593 Atomic (1336.58757s) stopped
T12 >> 1462314505.17288709 Communicate (6587.15397s) started
T12 << 1462314521.28603101 Communicate (6603.26711s) stopped
T12 << 1462314521.28606796 Hamiltonian (27323.83703s) stopped
T12 >> 1462314521.28609395 LCAO eigensolver (38731.57648s) started
T12 >> 1462314521.28610706 Potential matrix (580.48655s) started
T12 << 1462314522.25493789 Potential matrix (581.45538s) stopped
T12 >> 1462314522.25500894 DistributedAtomicCorrection (240.20553s) started
T12 << 1462314522.69449902 DistributedAtomicCorrection (240.64502s) stopped
T12 >> 1462314522.69455910 Distribute overlap matrix (4424.18176s) started
T12 >> 1462314522.69458008 blocked summation (2470.29821s) started
T12 << 1462314527.25974798 blocked summation (2474.86337s) stopped
T12 >> 1462314527.26849890 Scalapack redistribute (1948.01057s) started
T12 << 1462314530.79813290 Scalapack redistribute (1951.54020s) stopped
T12 << 1462314530.79823589 Distribute overlap matrix (4432.28544s) stopped
T12 >> 1462314530.80292392 Blacs Orbital Layouts (32427.72506s) started
T12 >> 1462314530.81179500 General diagonalize (32296.68811s) started
T12 << 1462314583.67556691 General diagonalize (32349.55188s) stopped
T12 >> 1462314583.67561293 Redistribute coefs (4.92023s) started
T12 << 1462314583.68393493 Redistribute coefs (4.92855s) stopped
T12 >> 1462314583.68397689 Send coefs to domains (120.66166s) started
T12 << 1462314583.80402994 Send coefs to domains (120.78171s) stopped
T12 << 1462314583.80442500 Blacs Orbital Layouts (32480.72656s) stopped
T12 >> 1462314583.80445194 Calculate projections (1056.04621s) started
T12 << 1462314585.57190895 Calculate projections (1057.81367s) stopped
T12 << 1462314585.57210302 LCAO eigensolver (38795.86249s) stopped
T12 >> 1462314588.68509412 Density (9190.15126s) started
T12 >> 1462314588.68511105 Pseudo density (7097.64121s) started
T12 >> 1462314588.68793702 Calculate density matrix (6666.52614s) started
T12 << 1462314601.65700793 Calculate density matrix (6679.49522s) stopped
T12 >> 1462314601.65705490 Construct density (419.85577s) started
T12 << 1462314602.42509794 Construct density (420.62381s) stopped
T12 >> 1462314602.44112110 Symmetrize density (0.04771s) started
T12 << 1462314602.44117594 Symmetrize density (0.04776s) stopped
T12 << 1462314602.44362903 Pseudo density (7111.39973s) stopped
T12 >> 1462314602.44368505 Atomic density matrices (1845.59671s) started
T12 << 1462314605.86523390 Atomic density matrices (1849.01826s) stopped
T12 >> 1462314605.86526608 Multipole moments (6.60220s) started
T12 << 1462314605.87991810 Multipole moments (6.61686s) stopped
T12 >> 1462314605.87995005 Normalize (3.78725s) started
T12 << 1462314605.88668895 Normalize (3.79398s) stopped
T12 >> 1462314605.88672900 Mix (236.47998s) started
T12 << 1462314606.32303596 Mix (236.91629s) stopped
T12 << 1462314606.32312107 Density (9207.78929s) stopped
T12 >> 1462314606.32315397 Hamiltonian (27323.83705s) started
T12 >> 1462314606.32317305 vbar (14.94592s) started
T12 << 1462314606.34976411 vbar (14.97251s) stopped
T12 >> 1462314606.34988809 XC 3D grid (15822.63185s) started
T12 >> 1462314606.88507795 van der Waals (15282.97703s) started
T12 >> 1462314606.99297404 semilocal (3226.90853s) started
T12 << 1462314612.83333206 semilocal (3232.74889s) stopped
T12 >> 1462314612.90665793 redistribute (1649.95015s) started
T12 << 1462314613.85220098 redistribute (1650.89570s) stopped
T12 >> 1462314613.85225201 libvdwxc nonlocal (10299.52003s) started
T12 << 1462314631.80716801 libvdwxc nonlocal (10317.47495s) stopped
T12 >> 1462314631.80725002 redistribute (1650.89574s) started
T12 << 1462314633.94213510 redistribute (1653.03062s) stopped
T12 << 1462314633.94316411 van der Waals (15310.03512s) stopped
T12 << 1462314634.41026998 XC 3D grid (15850.69223s) stopped
T12 >> 1462314634.41032910 Poisson (3338.61864s) started
T12 << 1462314638.88424492 Poisson (3343.09256s) stopped
T12 >> 1462314638.88438201 Hartree integrate/restrict (207.56294s) started
T12 << 1462314638.92223501 Hartree integrate/restrict (207.60079s) stopped
T12 >> 1462314638.92232704 Hartree integrate/restrict (207.60085s) started
T12 << 1462314639.24022388 Hartree integrate/restrict (207.91875s) stopped
T12 >> 1462314639.24035597 Atomic (1336.58759s) started
T12 >> 1462314639.24226594 XC Correction (0.01837s) started
T12 << 1462314639.24228501 XC Correction (0.01839s) stopped
T12 << 1462314641.64110708 Atomic (1338.98834s) stopped
T12 >> 1462314641.64126897 Communicate (6603.26714s) started
T12 << 1462314657.69875598 Communicate (6619.32462s) stopped
T12 << 1462314657.69880009 Hamiltonian (27375.21269s) stopped
T12 >> 1462314657.69883108 LCAO eigensolver (38795.86251s) started
T12 >> 1462314657.69884491 Potential matrix (581.45543s) started
T12 << 1462314658.66061211 Potential matrix (582.41719s) stopped
T12 >> 1462314658.66070890 DistributedAtomicCorrection (240.64506s) started
T12 << 1462314659.10030890 DistributedAtomicCorrection (241.08466s) stopped
T12 >> 1462314659.10037398 Distribute overlap matrix (4432.28545s) started
T12 >> 1462314659.10039902 blocked summation (2474.86341s) started
T12 << 1462314663.65961909 blocked summation (2479.42263s) stopped
T12 >> 1462314663.66933894 Scalapack redistribute (1951.54027s) started
T12 << 1462314667.22478604 Scalapack redistribute (1955.09572s) stopped
T12 << 1462314667.22490001 Distribute overlap matrix (4440.40998s) stopped
T12 >> 1462314667.22903800 Blacs Orbital Layouts (32480.72658s) started
T12 >> 1462314667.23771906 General diagonalize (32349.55192s) started
T12 << 1462314723.35792804 General diagonalize (32405.67213s) stopped
T12 >> 1462314723.35797691 Redistribute coefs (4.92858s) started
T12 << 1462314723.36692595 Redistribute coefs (4.93753s) stopped
T12 >> 1462314723.36696792 Send coefs to domains (120.78174s) started
T12 << 1462314723.60522699 Send coefs to domains (121.02000s) stopped
T12 << 1462314723.60574007 Blacs Orbital Layouts (32537.10328s) stopped
T12 >> 1462314723.60576797 Calculate projections (1057.81372s) started
T12 << 1462314725.37378693 Calculate projections (1059.58174s) stopped
T12 << 1462314725.37427711 LCAO eigensolver (38863.53795s) stopped
T12 >> 1462314728.48475599 Density (9207.78930s) started
T12 >> 1462314728.48477006 Pseudo density (7111.39977s) started
T12 >> 1462314728.48737407 Calculate density matrix (6679.49525s) started
T12 << 1462314740.55483294 Calculate density matrix (6691.56271s) stopped
T12 >> 1462314740.55488110 Construct density (420.62387s) started
T12 << 1462314741.32339096 Construct density (421.39238s) stopped
T12 >> 1462314741.33979988 Symmetrize density (0.04778s) started
T12 << 1462314741.33985806 Symmetrize density (0.04784s) stopped
T12 << 1462314741.34233499 Pseudo density (7124.25733s) stopped
T12 >> 1462314741.34239411 Atomic density matrices (1849.01828s) started
T12 << 1462314744.79330397 Atomic density matrices (1852.46919s) stopped
T12 >> 1462314744.79333806 Multipole moments (6.61687s) started
T12 << 1462314744.80799699 Multipole moments (6.63153s) stopped
T12 >> 1462314744.80803108 Normalize (3.79401s) started
T12 << 1462314744.81475711 Normalize (3.80074s) stopped
T12 >> 1462314744.81480408 Mix (236.91637s) started
T12 << 1462314745.27725196 Mix (237.37882s) stopped
T12 << 1462314745.27730703 Density (9224.58185s) stopped
T12 >> 1462314745.27733588 Hamiltonian (27375.21271s) started
T12 >> 1462314745.27735305 vbar (14.97258s) started
T12 << 1462314745.30474210 vbar (14.99997s) stopped
T12 >> 1462314745.30489993 XC 3D grid (15850.69228s) started
T12 >> 1462314745.78952193 van der Waals (15310.03514s) started
T12 >> 1462314745.90437102 semilocal (3232.74894s) started
T12 << 1462314751.69886303 semilocal (3238.54343s) stopped
T12 >> 1462314751.77280593 redistribute (1653.03068s) started
T12 << 1462314752.75160098 redistribute (1654.00947s) stopped
T12 >> 1462314752.75166798 libvdwxc nonlocal (10317.47501s) started
T12 << 1462314771.12841511 libvdwxc nonlocal (10335.85176s) stopped
T12 >> 1462314771.12847090 redistribute (1654.00953s) started
T12 << 1462314772.82977009 redistribute (1655.71083s) stopped
T12 << 1462314772.83080912 van der Waals (15337.07643s) stopped
T12 << 1462314773.30224490 XC 3D grid (15878.68962s) stopped
T12 >> 1462314773.30229306 Poisson (3343.09266s) started
T12 << 1462314777.71647596 Poisson (3347.50685s) stopped
T12 >> 1462314777.71658802 Hartree integrate/restrict (207.91883s) started
T12 << 1462314777.76045609 Hartree integrate/restrict (207.96270s) stopped
T12 >> 1462314777.76053596 Hartree integrate/restrict (207.96275s) started
T12 << 1462314778.07658195 Hartree integrate/restrict (208.27880s) stopped
T12 >> 1462314778.07668090 Atomic (1338.98837s) started
T12 >> 1462314778.07844305 XC Correction (0.01840s) started
T12 << 1462314778.07845998 XC Correction (0.01842s) stopped
T12 << 1462314780.46884203 Atomic (1341.38053s) stopped
T12 >> 1462314780.46897888 Communicate (6619.32465s) started
T12 << 1462314796.49566197 Communicate (6635.35134s) stopped
T12 << 1462314796.49569798 Hamiltonian (27426.43107s) stopped
T12 >> 1462314796.49572206 LCAO eigensolver (38863.53797s) started
T12 >> 1462314796.49573493 Potential matrix (582.41725s) started
T12 << 1462314797.47024107 Potential matrix (583.39175s) stopped
T12 >> 1462314797.47031307 DistributedAtomicCorrection (241.08470s) started
T12 << 1462314797.90674305 DistributedAtomicCorrection (241.52113s) stopped
T12 >> 1462314797.90680695 Distribute overlap matrix (4440.40999s) started
T12 >> 1462314797.90683007 blocked summation (2479.42266s) started
T12 << 1462314802.42635107 blocked summation (2483.94218s) stopped
T12 >> 1462314802.43592095 Scalapack redistribute (1955.09578s) started
T12 << 1462314806.03093410 Scalapack redistribute (1958.69080s) stopped
T12 << 1462314806.03102708 Distribute overlap matrix (4448.53421s) stopped
T12 >> 1462314806.03530908 Blacs Orbital Layouts (32537.10330s) started
T12 >> 1462314806.04490590 General diagonalize (32405.67217s) started
T12 << 1462314861.50888991 General diagonalize (32461.13615s) stopped
T12 >> 1462314861.50894308 Redistribute coefs (4.93757s) started
T12 << 1462314861.51830506 Redistribute coefs (4.94693s) stopped
T12 >> 1462314861.51835489 Send coefs to domains (121.02003s) started
T12 << 1462314861.75161409 Send coefs to domains (121.25329s) stopped
T12 << 1462314861.75208402 Blacs Orbital Layouts (32592.82008s) stopped
T12 >> 1462314861.75211406 Calculate projections (1059.58179s) started
T12 << 1462314863.53534508 Calculate projections (1061.36502s) stopped
T12 << 1462314863.53580093 LCAO eigensolver (38930.57805s) stopped
T12 << 1462314866.63079405 SCF-cycle (77502.61526s) stopped
T12 >> 1462314868.82109594 Force calculation (3452.30603s) started
T12 >> 1462314868.82119298 LCAO forces (3414.83389s) started
T12 >> 1462314868.82158399 Initial (0.00100s) started
T12 << 1462314868.82159495 Initial (0.00101s) stopped
T12 >> 1462314868.82832003 Get density matrix (1788.62899s) started
T12 << 1462314878.00592089 Get density matrix (1797.80659s) stopped
T12 >> 1462314878.00597095 Potential (270.19520s) started
T12 << 1462314884.15766811 Potential (276.34689s) stopped
T12 >> 1462314884.15772390 Get density matrix (1797.80663s) started
T12 << 1462314915.32409310 Get density matrix (1828.97300s) stopped
T12 >> 1462314915.32416105 Prepare TCI loop (94.85463s) started
T12 >> 1462314915.32472610 Get neighbors (85.46184s) started
T12 << 1462314917.36475897 Get neighbors (87.50188s) stopped
T12 >> 1462314917.36591911 broadcast dH (9.34248s) started
T12 << 1462314917.55104208 broadcast dH (9.52760s) stopped
T12 << 1462314917.55109000 Prepare TCI loop (97.08156s) stopped
T12 >> 1462314917.55111003 Not so complicated loop (5.23918s) started
T12 << 1462314917.67405295 Not so complicated loop (5.36213s) stopped
T12 >> 1462314917.79863501 Complicated loop (820.67937s) started
T12 << 1462314937.40800405 Complicated loop (840.28874s) stopped
T12 >> 1462314937.41038990 Wait for sum (429.59879s) started
T12 << 1462314947.05365300 Wait for sum (439.24206s) stopped
T12 << 1462314947.05369496 LCAO forces (3493.06639s) stopped
T12 << 1462314947.94229293 Force calculation (3531.42723s) stopped
T12 >> 1462314947.96024799 Initialization (5722.21679s) started
T12 << 1462314947.96042204 Initialization (5722.21697s) stopped
T12 >> 1462314947.96064997 Initialization (5722.21698s) started
T12 << 1462314947.96078610 Initialization (5722.21712s) stopped
T12 >> 1462314947.96095610 Initialization (5722.21716s) started
T12 << 1462314947.96108890 Initialization (5722.21729s) stopped
T12 >> 1462314968.27789211 Initialization (5722.21731s) started
T12 >> 1462314968.36950707 Basic WFS set positions (3.96404s) started
T12 >> 1462314968.36953211 Redistribute (0.01339s) started
T12 << 1462314968.36966491 Redistribute (0.01353s) stopped
T12 << 1462314968.45858407 Basic WFS set positions (4.05312s) stopped
T12 >> 1462314968.45861006 Basis functions set positions (82.31105s) started
T12 << 1462314970.39679408 Basis functions set positions (84.24923s) stopped
T12 >> 1462314970.39741111 TCI: Calculate S, T, P (686.11057s) started
T12 << 1462314986.23165894 TCI: Calculate S, T, P (701.94481s) stopped
T12 >> 1462314986.23171902 blocked summation (1046.79602s) started
T12 << 1462315015.13286996 blocked summation (1075.69717s) stopped
T12 >> 1462315015.14255404 Scalapack redistribute (401.88534s) started
T12 << 1462315023.80075908 Scalapack redistribute (410.54355s) stopped
T12 >> 1462315023.80185795 blocked summation (1075.69722s) started
T12 << 1462315024.84281707 blocked summation (1076.73818s) stopped
T12 >> 1462315024.85224700 Scalapack redistribute (410.54363s) started
T12 << 1462315025.07208896 Scalapack redistribute (410.76347s) stopped
T12 >> 1462315025.07409906 Redistribute (0.10308s) started
T12 << 1462315025.07463908 Redistribute (0.10362s) stopped
T12 >> 1462315026.81085801 Redistribute (0.10363s) started
T12 << 1462315026.81133103 Redistribute (0.10411s) stopped
T12 >> 1462315026.83248711 LCAO WFS Initialize (3411.90209s) started
T12 >> 1462315026.83252907 Density initialize from wavefunctions (645.18775s) started
T12 >> 1462315026.83741498 Calculate density matrix (447.22004s) started
T12 << 1462315036.65307212 Calculate density matrix (457.03570s) stopped
T12 >> 1462315036.65313005 Construct density (33.84421s) started
T12 << 1462315037.42119002 Construct density (34.61227s) stopped
T12 >> 1462315037.43620610 Symmetrize density (0.00369s) started
T12 << 1462315037.43627191 Symmetrize density (0.00375s) stopped
T12 << 1462315041.21328092 Density initialize from wavefunctions (659.56850s) stopped
T12 >> 1462315041.21354389 Hamiltonian (2765.78666s) started
T12 >> 1462315041.21356201 vbar (1.27108s) started
T12 << 1462315041.24619794 vbar (1.30372s) stopped
T12 >> 1462315041.24636102 XC 3D grid (1313.40914s) started
T12 >> 1462315041.72820997 van der Waals (1268.85767s) started
T12 >> 1462315041.83778501 semilocal (266.60611s) started
T12 << 1462315047.54676795 semilocal (272.31510s) stopped
T12 >> 1462315047.63087893 redistribute (146.88943s) started
T12 << 1462315048.72027993 redistribute (147.97883s) stopped
T12 >> 1462315048.72033811 libvdwxc nonlocal (846.55178s) started
T12 << 1462315066.75886106 libvdwxc nonlocal (864.59030s) stopped
T12 >> 1462315066.75894403 redistribute (147.97887s) started
T12 << 1462315068.85430098 redistribute (150.07422s) stopped
T12 << 1462315068.85536289 van der Waals (1295.98482s) stopped
T12 << 1462315069.31884289 XC 3D grid (1341.48162s) stopped
T12 >> 1462315069.31890702 Poisson (674.74737s) started
T12 << 1462315080.77572393 Poisson (686.20419s) stopped
T12 >> 1462315080.77588606 Hartree integrate/restrict (17.08239s) started
T12 << 1462315080.81466508 Hartree integrate/restrict (17.12117s) stopped
T12 >> 1462315080.81476808 Hartree integrate/restrict (17.12124s) started
T12 << 1462315081.17611194 Hartree integrate/restrict (17.48258s) stopped
T12 >> 1462315081.17620897 Atomic (108.94079s) started
T12 >> 1462315081.17827892 XC Correction (0.00173s) started
T12 << 1462315081.17829609 XC Correction (0.00175s) stopped
T12 << 1462315083.56341290 Atomic (111.32800s) stopped
T12 >> 1462315083.56359005 Communicate (650.29144s) started
T12 << 1462315101.15594697 Communicate (667.88380s) stopped
T12 << 1462315101.15598512 Hamiltonian (2825.72910s) stopped
T12 << 1462315101.15599895 LCAO WFS Initialize (3486.22560s) stopped
T12 << 1462315101.16819406 Initialization (5855.10761s) stopped
T12 >> 1462315101.19425511 SCF-cycle (77502.61529s) started
T12 >> 1462315101.19429111 LCAO eigensolver (38930.57807s) started
T12 >> 1462315101.19430304 Potential matrix (583.39180s) started
T12 << 1462315102.15855908 Potential matrix (584.35605s) stopped
T12 >> 1462315102.15864491 DistributedAtomicCorrection (241.52117s) started
T12 << 1462315102.59649301 DistributedAtomicCorrection (241.95902s) stopped
T12 >> 1462315102.59653902 Distribute overlap matrix (4448.53423s) started
T12 >> 1462315102.59656811 blocked summation (2483.94221s) started
T12 << 1462315107.01727605 blocked summation (2488.36292s) stopped
T12 >> 1462315107.02711201 Scalapack redistribute (1958.69086s) started
T12 << 1462315110.74389911 Scalapack redistribute (1962.40764s) stopped
T12 << 1462315110.74400091 Distribute overlap matrix (4456.68169s) stopped
T12 >> 1462315110.74914408 Blacs Orbital Layouts (32592.82010s) started
T12 >> 1462315110.75851297 General diagonalize (32461.13619s) started
T12 << 1462315165.79593611 General diagonalize (32516.17361s) stopped
T12 >> 1462315165.79598093 Redistribute coefs (4.94697s) started
T12 << 1462315165.80319595 Redistribute coefs (4.95418s) stopped
T12 >> 1462315165.80328798 Send coefs to domains (121.25333s) started
T12 << 1462315165.93374109 Send coefs to domains (121.38378s) stopped
T12 << 1462315165.93423104 Blacs Orbital Layouts (32648.00518s) stopped
T12 >> 1462315165.93425798 Calculate projections (1061.36508s) started
T12 << 1462315167.70168996 Calculate projections (1063.13251s) stopped
T12 << 1462315167.70209002 LCAO eigensolver (38997.08587s) stopped
T12 >> 1462315170.80758190 Density (9224.58187s) started
T12 >> 1462315170.80759692 Pseudo density (7124.25738s) started
T12 >> 1462315170.81053710 Calculate density matrix (6691.56274s) started
T12 << 1462315182.64618206 Calculate density matrix (6703.39838s) stopped
T12 >> 1462315182.64622808 Construct density (421.39243s) started
T12 << 1462315183.42677903 Construct density (422.17298s) stopped
T12 >> 1462315183.44294095 Symmetrize density (0.04785s) started
T12 << 1462315183.44301105 Symmetrize density (0.04792s) stopped
T12 << 1462315183.44547200 Pseudo density (7136.89526s) stopped
T12 >> 1462315183.44553089 Atomic density matrices (1852.46922s) started
T12 << 1462315186.84643888 Atomic density matrices (1855.87013s) stopped
T12 >> 1462315186.84647107 Multipole moments (6.63155s) started
T12 << 1462315186.86144209 Multipole moments (6.64652s) stopped
T12 >> 1462315186.86146498 Normalize (3.80077s) started
T12 << 1462315186.86796308 Normalize (3.80727s) stopped
T12 >> 1462315186.86800408 Mix (237.37887s) started
T12 << 1462315187.26108909 Mix (237.77196s) stopped
T12 << 1462315187.26111698 Density (9241.03540s) stopped
T12 >> 1462315187.26114106 Hamiltonian (27426.43108s) started
T12 >> 1462315187.26115489 vbar (15.00006s) started
T12 << 1462315187.28210998 vbar (15.02101s) stopped
T12 >> 1462315187.28221512 XC 3D grid (15878.68966s) started
T12 >> 1462315187.80292106 van der Waals (15337.07645s) started
T12 >> 1462315187.91651797 semilocal (3238.54352s) started
T12 << 1462315193.72714305 semilocal (3244.35414s) stopped
T12 >> 1462315193.80888605 redistribute (1655.71089s) started
T12 << 1462315194.81041193 redistribute (1656.71242s) stopped
T12 >> 1462315194.81045508 libvdwxc nonlocal (10335.85180s) started
T12 << 1462315213.35791707 libvdwxc nonlocal (10354.39926s) stopped
T12 >> 1462315213.35797906 redistribute (1656.71245s) started
T12 << 1462315215.06702089 redistribute (1658.42149s) stopped
T12 << 1462315215.06816101 van der Waals (15364.34169s) stopped
T12 << 1462315215.54453897 XC 3D grid (15906.95198s) stopped
T12 >> 1462315215.54458094 Poisson (3347.50693s) started
T12 << 1462315219.92637897 Poisson (3351.88873s) stopped
T12 >> 1462315219.92647290 Hartree integrate/restrict (208.27885s) started
T12 << 1462315219.98206806 Hartree integrate/restrict (208.33444s) stopped
T12 >> 1462315219.98213100 Hartree integrate/restrict (208.33448s) started
T12 << 1462315220.29002190 Hartree integrate/restrict (208.64237s) stopped
T12 >> 1462315220.29009295 Atomic (1341.38055s) started
T12 >> 1462315220.29195595 XC Correction (0.01843s) started
T12 << 1462315220.29197097 XC Correction (0.01844s) stopped
T12 << 1462315222.69391489 Atomic (1343.78437s) stopped
T12 >> 1462315222.69409609 Communicate (6635.35136s) started
T12 << 1462315240.29934907 Communicate (6652.95661s) stopped
T12 << 1462315240.29938507 Hamiltonian (27479.46933s) stopped
T12 >> 1462315240.29941010 LCAO eigensolver (38997.08589s) started
T12 >> 1462315240.29942298 Potential matrix (584.35610s) started
T12 << 1462315241.27252793 Potential matrix (585.32921s) stopped
T12 >> 1462315241.27259898 DistributedAtomicCorrection (241.95906s) started
T12 << 1462315241.71043706 DistributedAtomicCorrection (242.39690s) stopped
T12 >> 1462315241.71048403 Distribute overlap matrix (4456.68170s) started
T12 >> 1462315241.71051311 blocked summation (2488.36295s) started
T12 << 1462315246.15794492 blocked summation (2492.81038s) stopped
T12 >> 1462315246.16738105 Scalapack redistribute (1962.40771s) started
T12 << 1462315249.80977011 Scalapack redistribute (1966.05010s) stopped
T12 << 1462315249.80986595 Distribute overlap matrix (4464.78108s) stopped
T12 >> 1462315249.81432605 Blacs Orbital Layouts (32648.00520s) started
T12 >> 1462315249.82344508 General diagonalize (32516.17365s) started
T12 << 1462315304.99067998 General diagonalize (32571.34089s) stopped
T12 >> 1462315304.99076796 Redistribute coefs (4.95425s) started
T12 << 1462315304.99869299 Redistribute coefs (4.96218s) stopped
T12 >> 1462315304.99880290 Send coefs to domains (121.38382s) started
T12 << 1462315305.13270712 Send coefs to domains (121.51772s) stopped
T12 << 1462315305.13319206 Blacs Orbital Layouts (32703.32407s) stopped
T12 >> 1462315305.13322091 Calculate projections (1063.13256s) started
T12 << 1462315306.90119910 Calculate projections (1064.90054s) stopped
T12 << 1462315306.90157509 LCAO eigensolver (39063.68806s) stopped
T12 >> 1462315310.00449491 Density (9241.03541s) started
T12 >> 1462315310.00451112 Pseudo density (7136.89530s) started
T12 >> 1462315310.00724506 Calculate density matrix (6703.39841s) started
T12 << 1462315322.10165691 Calculate density matrix (6715.49283s) stopped
T12 >> 1462315322.10170603 Construct density (422.17303s) started
T12 << 1462315322.88213611 Construct density (422.95346s) stopped
T12 >> 1462315322.89898300 Symmetrize density (0.04794s) started
T12 << 1462315322.89904904 Symmetrize density (0.04800s) stopped
T12 << 1462315322.90146899 Pseudo density (7149.79226s) stopped
T12 >> 1462315322.90152597 Atomic density matrices (1855.87015s) started
T12 << 1462315326.35771298 Atomic density matrices (1859.32634s) stopped
T12 >> 1462315326.35774493 Multipole moments (6.64653s) started
T12 << 1462315326.37275100 Multipole moments (6.66154s) stopped
T12 >> 1462315326.37277508 Normalize (3.80730s) started
T12 << 1462315326.37957597 Normalize (3.81410s) stopped
T12 >> 1462315326.37962508 Mix (237.77198s) started
T12 << 1462315326.77954412 Mix (238.17190s) stopped
T12 << 1462315326.77957702 Density (9257.81050s) stopped
T12 >> 1462315326.77960396 Hamiltonian (27479.46934s) started
T12 >> 1462315326.77961802 vbar (15.02107s) started
T12 << 1462315326.80297208 vbar (15.04443s) stopped
T12 >> 1462315326.80306602 XC 3D grid (15906.95202s) started
T12 >> 1462315327.33284593 van der Waals (15364.34172s) started
T12 >> 1462315327.45041490 semilocal (3244.35424s) started
T12 << 1462315333.33092093 semilocal (3250.23474s) stopped
T12 >> 1462315333.40798306 redistribute (1658.42154s) started
T12 << 1462315334.35334611 redistribute (1659.36691s) stopped
T12 >> 1462315334.35338807 libvdwxc nonlocal (10354.39931s) started
T12 << 1462315353.74500108 libvdwxc nonlocal (10373.79093s) stopped
T12 >> 1462315353.74505997 redistribute (1659.36694s) started
T12 << 1462315355.47188401 redistribute (1661.09376s) stopped
T12 << 1462315355.47301698 van der Waals (15392.48189s) stopped
T12 << 1462315355.94731593 XC 3D grid (15936.09627s) stopped
T12 >> 1462315355.94735909 Poisson (3351.88880s) started
T12 << 1462315363.61603308 Poisson (3359.55747s) stopped
T12 >> 1462315363.61610198 Hartree integrate/restrict (208.64240s) started
T12 << 1462315363.67386508 Hartree integrate/restrict (208.70017s) stopped
T12 >> 1462315363.67391300 Hartree integrate/restrict (208.70020s) started
T12 << 1462315363.98839688 Hartree integrate/restrict (209.01468s) stopped
T12 >> 1462315363.98846698 Atomic (1343.78440s) started
T12 >> 1462315363.99020410 XC Correction (0.01845s) started
T12 << 1462315363.99022102 XC Correction (0.01847s) stopped
T12 << 1462315366.38594794 Atomic (1346.18188s) stopped
T12 >> 1462315366.38611698 Communicate (6652.95664s) started
T12 << 1462315384.04644895 Communicate (6670.61697s) stopped
T12 << 1462315384.04648495 Hamiltonian (27536.73622s) stopped
T12 >> 1462315384.04650998 LCAO eigensolver (39063.68807s) started
T12 >> 1462315384.04652309 Potential matrix (585.32925s) started
T12 << 1462315385.02101302 Potential matrix (586.30374s) stopped
T12 >> 1462315385.02108598 DistributedAtomicCorrection (242.39693s) started
T12 << 1462315385.45575404 DistributedAtomicCorrection (242.83160s) stopped
T12 >> 1462315385.45580602 Distribute overlap matrix (4464.78110s) started
T12 >> 1462315385.45583510 blocked summation (2492.81041s) started
T12 << 1462315389.89713001 blocked summation (2497.25171s) stopped
T12 >> 1462315389.90604210 Scalapack redistribute (1966.05016s) started
T12 << 1462315393.57571292 Scalapack redistribute (1969.71983s) stopped
T12 << 1462315393.57579207 Distribute overlap matrix (4472.90108s) stopped
T12 >> 1462315393.58198094 Blacs Orbital Layouts (32703.32409s) started
T12 >> 1462315393.59073710 General diagonalize (32571.34096s) started
T12 << 1462315446.69908690 General diagonalize (32624.44931s) stopped
T12 >> 1462315446.69917488 Redistribute coefs (4.96227s) started
T12 << 1462315446.70679498 Redistribute coefs (4.96989s) stopped
T12 >> 1462315446.70690107 Send coefs to domains (121.51775s) started
T12 << 1462315446.79519892 Send coefs to domains (121.60605s) stopped
T12 << 1462315446.79562807 Blacs Orbital Layouts (32756.53774s) stopped
T12 >> 1462315446.79565597 Calculate projections (1064.90059s) started
T12 << 1462315448.56309390 Calculate projections (1066.66803s) stopped
T12 << 1462315448.56328011 LCAO eigensolver (39128.20484s) stopped
T12 >> 1462315451.66619706 Density (9257.81051s) started
T12 >> 1462315451.66621208 Pseudo density (7149.79231s) started
T12 >> 1462315451.66904807 Calculate density matrix (6715.49286s) started
T12 << 1462315463.46818089 Calculate density matrix (6727.29199s) stopped
T12 >> 1462315463.46822906 Construct density (422.95351s) started
T12 << 1462315464.24681306 Construct density (423.73210s) stopped
T12 >> 1462315464.26281595 Symmetrize density (0.04802s) started
T12 << 1462315464.26287699 Symmetrize density (0.04808s) stopped
T12 << 1462315464.26529002 Pseudo density (7162.39139s) stopped
T12 >> 1462315464.26534796 Atomic density matrices (1859.32636s) started
T12 << 1462315467.72524309 Atomic density matrices (1862.78626s) stopped
T12 >> 1462315467.72527409 Multipole moments (6.66156s) started
T12 << 1462315467.73969603 Multipole moments (6.67598s) stopped
T12 >> 1462315467.73971891 Normalize (3.81414s) started
T12 << 1462315467.74655008 Normalize (3.82097s) stopped
T12 >> 1462315467.74658990 Mix (238.17193s) started
T12 << 1462315468.13366389 Mix (238.55901s) stopped
T12 << 1462315468.13372207 Density (9274.27803s) stopped
T12 >> 1462315468.13374805 Hamiltonian (27536.73623s) started
T12 >> 1462315468.13376307 vbar (15.04449s) started
T12 << 1462315468.16524196 vbar (15.07597s) stopped
T12 >> 1462315468.16539502 XC 3D grid (15936.09630s) started
T12 >> 1462315468.65245700 van der Waals (15392.48191s) started
T12 >> 1462315468.76506805 semilocal (3250.23481s) started
T12 << 1462315474.55980706 semilocal (3256.02955s) stopped
T12 >> 1462315474.63142395 redistribute (1661.09382s) started
T12 << 1462315475.66810393 redistribute (1662.13050s) stopped
T12 >> 1462315475.66814590 libvdwxc nonlocal (10373.79097s) started
T12 << 1462315494.52320099 libvdwxc nonlocal (10392.64603s) stopped
T12 >> 1462315494.52324891 redistribute (1662.13053s) started
T12 << 1462315496.21079898 redistribute (1663.81808s) stopped
T12 << 1462315496.21162200 van der Waals (15420.04108s) stopped
T12 << 1462315496.68300796 XC 3D grid (15964.61391s) stopped
T12 >> 1462315496.68307209 Poisson (3359.55753s) started
T12 << 1462315502.47348309 Poisson (3365.34794s) stopped
T12 >> 1462315502.47359705 Hartree integrate/restrict (209.01471s) started
T12 << 1462315502.52372599 Hartree integrate/restrict (209.06484s) stopped
T12 >> 1462315502.52378798 Hartree integrate/restrict (209.06487s) started
T12 << 1462315502.83960605 Hartree integrate/restrict (209.38069s) stopped
T12 >> 1462315502.83969998 Atomic (1346.18190s) started
T12 >> 1462315502.84152389 XC Correction (0.01848s) started
T12 << 1462315502.84154296 XC Correction (0.01850s) stopped
T12 << 1462315505.23539710 Atomic (1348.57760s) stopped
T12 >> 1462315505.23556209 Communicate (6670.61699s) started
T12 << 1462315522.84157109 Communicate (6688.22300s) stopped
T12 << 1462315522.84160399 Hamiltonian (27591.44409s) stopped
T12 >> 1462315522.84162807 LCAO eigensolver (39128.20486s) started
T12 >> 1462315522.84164095 Potential matrix (586.30378s) started
T12 << 1462315523.81823206 Potential matrix (587.28037s) stopped
T12 >> 1462315523.81831694 DistributedAtomicCorrection (242.83165s) started
T12 << 1462315524.25481105 DistributedAtomicCorrection (243.26814s) stopped
T12 >> 1462315524.25485802 Distribute overlap matrix (4472.90110s) started
T12 >> 1462315524.25488710 blocked summation (2497.25174s) started
T12 << 1462315528.74595189 blocked summation (2501.74280s) stopped
T12 >> 1462315528.75539398 Scalapack redistribute (1969.71987s) started
T12 << 1462315532.35461497 Scalapack redistribute (1973.31909s) stopped
T12 << 1462315532.35471511 Distribute overlap matrix (4481.00095s) stopped
T12 >> 1462315532.35916090 Blacs Orbital Layouts (32756.53776s) started
T12 >> 1462315532.36830497 General diagonalize (32624.44938s) started
T12 << 1462315588.50513697 General diagonalize (32680.58622s) stopped
T12 >> 1462315588.50518489 Redistribute coefs (4.96997s) started
T12 << 1462315588.51217389 Redistribute coefs (4.97696s) stopped
T12 >> 1462315588.51226592 Send coefs to domains (121.60608s) started
T12 << 1462315588.63732195 Send coefs to domains (121.73114s) stopped
T12 << 1462315588.63784289 Blacs Orbital Layouts (32812.81644s) stopped
T12 >> 1462315588.63787007 Calculate projections (1066.66808s) started
T12 << 1462315590.40667701 Calculate projections (1068.43689s) stopped
T12 << 1462315590.40706301 LCAO eigensolver (39195.77030s) stopped
T12 >> 1462315593.50015807 Density (9274.27805s) started
T12 >> 1462315593.50017309 Pseudo density (7162.39143s) started
T12 >> 1462315593.50284910 Calculate density matrix (6727.29202s) started
T12 << 1462315605.34463811 Calculate density matrix (6739.13381s) stopped
T12 >> 1462315605.34468603 Construct density (423.73215s) started
T12 << 1462315606.12453389 Construct density (424.51200s) stopped
T12 >> 1462315606.14070010 Symmetrize density (0.04810s) started
T12 << 1462315606.14076591 Symmetrize density (0.04816s) stopped
T12 << 1462315606.14318895 Pseudo density (7175.03445s) stopped
T12 >> 1462315606.14324498 Atomic density matrices (1862.78628s) started
T12 << 1462315609.56036711 Atomic density matrices (1866.20340s) stopped
T12 >> 1462315609.56039810 Multipole moments (6.67599s) started
T12 << 1462315609.57540989 Multipole moments (6.69101s) stopped
T12 >> 1462315609.57544208 Normalize (3.82100s) started
T12 << 1462315609.58217406 Normalize (3.82773s) stopped
T12 >> 1462315609.58221602 Mix (238.55907s) started
T12 << 1462315610.00138807 Mix (238.97824s) stopped
T12 << 1462315610.00143194 Density (9290.77932s) stopped
T12 >> 1462315610.00145507 Hamiltonian (27591.44410s) started
T12 >> 1462315610.00147009 vbar (15.07606s) started
T12 << 1462315610.02801704 vbar (15.10261s) stopped
T12 >> 1462315610.02814007 XC 3D grid (15964.61397s) started
T12 >> 1462315610.53147602 van der Waals (15420.04110s) started
T12 >> 1462315610.64393902 semilocal (3256.02961s) started
T12 << 1462315616.42033410 semilocal (3261.80601s) stopped
T12 >> 1462315616.49510503 redistribute (1663.81813s) started
T12 << 1462315617.47584605 redistribute (1664.79887s) stopped
T12 >> 1462315617.47588801 libvdwxc nonlocal (10392.64606s) started
T12 << 1462315636.82692790 libvdwxc nonlocal (10411.99710s) stopped
T12 >> 1462315636.82699394 redistribute (1664.79891s) started
T12 << 1462315638.64469790 redistribute (1666.61661s) stopped
T12 << 1462315638.64565110 van der Waals (15448.15528s) stopped
T12 << 1462315639.11674809 XC 3D grid (15993.70257s) stopped
T12 >> 1462315639.11680198 Poisson (3365.34803s) started
T12 << 1462315645.19664407 Poisson (3371.42787s) stopped
T12 >> 1462315645.19670796 Hartree integrate/restrict (209.38074s) started
T12 << 1462315645.25415707 Hartree integrate/restrict (209.43819s) stopped
T12 >> 1462315645.25422001 Hartree integrate/restrict (209.43823s) started
T12 << 1462315645.59793496 Hartree integrate/restrict (209.78194s) stopped
T12 >> 1462315645.59803295 Atomic (1348.57762s) started
T12 >> 1462315645.59983611 XC Correction (0.01851s) started
T12 << 1462315645.59985399 XC Correction (0.01853s) stopped
T12 << 1462315647.98934603 Atomic (1350.96893s) stopped
T12 >> 1462315647.98951888 Communicate (6688.22303s) started
T12 << 1462315664.62022805 Communicate (6704.85373s) stopped
T12 << 1462315664.62026405 Hamiltonian (27646.06291s) stopped
T12 >> 1462315664.62028909 LCAO eigensolver (39195.77031s) started
T12 >> 1462315664.62030196 Potential matrix (587.28043s) started
T12 << 1462315665.58678508 Potential matrix (588.24691s) stopped
T12 >> 1462315665.58687210 DistributedAtomicCorrection (243.26818s) started
T12 << 1462315666.02416110 DistributedAtomicCorrection (243.70547s) stopped
T12 >> 1462315666.02420712 Distribute overlap matrix (4481.00097s) started
T12 >> 1462315666.02423596 blocked summation (2501.74283s) started
T12 << 1462315670.55605888 blocked summation (2506.27466s) stopped
T12 >> 1462315670.56575990 Scalapack redistribute (1973.31915s) started
T12 << 1462315674.14559507 Scalapack redistribute (1976.89899s) stopped
T12 << 1462315674.14568210 Distribute overlap matrix (4489.12244s) stopped
T12 >> 1462315674.15000105 Blacs Orbital Layouts (32812.81646s) started
T12 >> 1462315674.15888691 General diagonalize (32680.58626s) started
T12 << 1462315727.12496209 General diagonalize (32733.55233s) stopped
T12 >> 1462315727.12500811 Redistribute coefs (4.97704s) started
T12 << 1462315727.13229990 Redistribute coefs (4.98433s) stopped
T12 >> 1462315727.13240004 Send coefs to domains (121.73117s) started
T12 << 1462315727.37039304 Send coefs to domains (121.96917s) stopped
T12 << 1462315727.37091589 Blacs Orbital Layouts (32866.03737s) stopped
T12 >> 1462315727.37094498 Calculate projections (1068.43694s) started
T12 << 1462315729.13857198 Calculate projections (1070.20457s) stopped
T12 << 1462315729.13875794 LCAO eigensolver (39260.28878s) stopped
T12 >> 1462315732.26581407 Density (9290.77933s) started
T12 >> 1462315732.26583004 Pseudo density (7175.03450s) started
T12 >> 1462315732.26889491 Calculate density matrix (6739.13384s) started
T12 << 1462315744.01576805 Calculate density matrix (6750.88072s) stopped
T12 >> 1462315744.01582098 Construct density (424.51205s) started
T12 << 1462315744.79460001 Construct density (425.29082s) stopped
T12 >> 1462315744.81075597 Symmetrize density (0.04818s) started
T12 << 1462315744.81081605 Symmetrize density (0.04824s) stopped
T12 << 1462315744.81323409 Pseudo density (7187.58190s) stopped
T12 >> 1462315744.81328893 Atomic density matrices (1866.20342s) started
T12 << 1462315748.25303888 Atomic density matrices (1869.64317s) stopped
T12 >> 1462315748.25307202 Multipole moments (6.69102s) started
T12 << 1462315748.26806808 Multipole moments (6.70602s) stopped
T12 >> 1462315748.26809812 Normalize (3.82776s) started
T12 << 1462315748.27468801 Normalize (3.83435s) stopped
T12 >> 1462315748.27472711 Mix (238.97828s) started
T12 << 1462315748.69026589 Mix (239.39382s) stopped
T12 << 1462315748.69034290 Density (9307.20386s) stopped
T12 >> 1462315748.69037390 Hamiltonian (27646.06292s) started
T12 >> 1462315748.69041705 vbar (15.10268s) started
T12 << 1462315748.71380997 vbar (15.12607s) stopped
T12 >> 1462315748.71395898 XC 3D grid (15993.70262s) started
T12 >> 1462315749.19997501 van der Waals (15448.15531s) started
T12 >> 1462315749.31377292 semilocal (3261.80608s) started
T12 << 1462315755.05900598 semilocal (3267.55131s) stopped
T12 >> 1462315755.14692211 redistribute (1666.61666s) started
T12 << 1462315756.18075109 redistribute (1667.65049s) stopped
T12 >> 1462315756.18092704 libvdwxc nonlocal (10411.99715s) started
T12 << 1462315774.83234000 libvdwxc nonlocal (10430.64857s) stopped
T12 >> 1462315774.83240509 redistribute (1667.65053s) started
T12 << 1462315776.56833291 redistribute (1669.38645s) stopped
T12 << 1462315776.56944203 van der Waals (15475.52477s) stopped
T12 << 1462315777.04017997 XC 3D grid (16022.02884s) stopped
T12 >> 1462315777.04022193 Poisson (3371.42792s) started
T12 << 1462315782.93520403 Poisson (3377.32290s) stopped
T12 >> 1462315782.93529797 Hartree integrate/restrict (209.78199s) started
T12 << 1462315782.98430490 Hartree integrate/restrict (209.83100s) stopped
T12 >> 1462315782.98435807 Hartree integrate/restrict (209.83103s) started
T12 << 1462315783.32323408 Hartree integrate/restrict (210.16990s) stopped
T12 >> 1462315783.32334995 Atomic (1350.96896s) started
T12 >> 1462315783.32558393 XC Correction (0.01855s) started
T12 << 1462315783.32562304 XC Correction (0.01859s) stopped
T12 << 1462315785.71726298 Atomic (1353.36287s) stopped
T12 >> 1462315785.71745396 Communicate (6704.85376s) started
T12 << 1462315801.67858696 Communicate (6720.81489s) stopped
T12 << 1462315801.67863297 Hamiltonian (27699.05118s) stopped
T12 >> 1462315801.67865992 LCAO eigensolver (39260.28880s) started
T12 >> 1462315801.67867398 Potential matrix (588.24696s) started
T12 << 1462315802.64444089 Potential matrix (589.21273s) stopped
T12 >> 1462315802.64452004 DistributedAtomicCorrection (243.70551s) started
T12 << 1462315803.08823109 DistributedAtomicCorrection (244.14922s) stopped
T12 >> 1462315803.08829498 Distribute overlap matrix (4489.12245s) started
T12 >> 1462315803.08831906 blocked summation (2506.27469s) started
T12 << 1462315807.58110690 blocked summation (2510.76748s) stopped
T12 >> 1462315807.59099793 Scalapack redistribute (1976.89904s) started
T12 << 1462315811.18539810 Scalapack redistribute (1980.49344s) stopped
T12 << 1462315811.18550301 Distribute overlap matrix (4497.21966s) stopped
T12 >> 1462315811.19001293 Blacs Orbital Layouts (32866.03739s) started
T12 >> 1462315811.19883609 General diagonalize (32733.55237s) started
T12 << 1462315866.34724307 General diagonalize (32788.70078s) stopped
T12 >> 1462315866.34731507 Redistribute coefs (4.98441s) started
T12 << 1462315866.35560298 Redistribute coefs (4.99270s) stopped
T12 >> 1462315866.35568690 Send coefs to domains (121.96920s) started
T12 << 1462315866.46358109 Send coefs to domains (122.07709s) stopped
T12 << 1462315866.46399903 Blacs Orbital Layouts (32921.31138s) stopped
T12 >> 1462315866.46403289 Calculate projections (1070.20462s) started
T12 << 1462315868.23240805 Calculate projections (1071.97299s) stopped
T12 << 1462315868.23287797 LCAO eigensolver (39326.84302s) stopped
T12 >> 1462315871.37284899 Density (9307.20388s) started
T12 >> 1462315871.37286401 Pseudo density (7187.58194s) started
T12 >> 1462315871.37602091 Calculate density matrix (6750.88075s) started
T12 << 1462315883.15896893 Calculate density matrix (6762.66370s) stopped
T12 >> 1462315883.15901804 Construct density (425.29088s) started
T12 << 1462315883.94009995 Construct density (426.07196s) stopped
T12 >> 1462315883.95643711 Symmetrize density (0.04826s) started
T12 << 1462315883.95649409 Symmetrize density (0.04831s) stopped
T12 << 1462315883.95893002 Pseudo density (7200.16801s) stopped
T12 >> 1462315883.95898890 Atomic density matrices (1869.64320s) started
T12 << 1462315887.45741510 Atomic density matrices (1873.14163s) stopped
T12 >> 1462315887.45744801 Multipole moments (6.70603s) started
T12 << 1462315887.47242498 Multipole moments (6.72101s) stopped
T12 >> 1462315887.47245693 Normalize (3.83438s) started
T12 << 1462315887.48019290 Normalize (3.84211s) stopped
T12 >> 1462315887.48023796 Mix (239.39389s) started
T12 << 1462315887.92983007 Mix (239.84349s) stopped
T12 << 1462315887.92989111 Density (9323.76092s) stopped
T12 >> 1462315887.92991900 Hamiltonian (27699.05119s) started
T12 >> 1462315887.92993307 vbar (15.12616s) started
T12 << 1462315887.95931411 vbar (15.15554s) stopped
T12 >> 1462315887.95947599 XC 3D grid (16022.02887s) started
T12 >> 1462315888.44585299 van der Waals (15475.52479s) started
T12 >> 1462315888.56015897 semilocal (3267.55141s) started
T12 << 1462315894.41810489 semilocal (3273.40936s) stopped
T12 >> 1462315894.49101996 redistribute (1669.38651s) started
T12 << 1462315895.43516493 redistribute (1670.33065s) stopped
T12 >> 1462315895.43520904 libvdwxc nonlocal (10430.64862s) started
T12 << 1462315914.05495691 libvdwxc nonlocal (10449.26836s) stopped
T12 >> 1462315914.05501890 redistribute (1670.33068s) started
T12 << 1462315915.81253791 redistribute (1672.08820s) stopped
T12 << 1462315915.81346989 van der Waals (15502.89241s) stopped
T12 << 1462315916.28175306 XC 3D grid (16050.35115s) stopped
T12 >> 1462315916.28181100 Poisson (3377.32297s) started
T12 << 1462315920.65893292 Poisson (3381.70009s) stopped
T12 >> 1462315920.65904808 Hartree integrate/restrict (210.16996s) started
T12 << 1462315920.70785594 Hartree integrate/restrict (210.21877s) stopped
T12 >> 1462315920.70790792 Hartree integrate/restrict (210.21880s) started
T12 << 1462315921.08694911 Hartree integrate/restrict (210.59784s) stopped
T12 >> 1462315921.08704901 Atomic (1353.36289s) started
T12 >> 1462315921.08889198 XC Correction (0.01860s) started
T12 << 1462315921.08891010 XC Correction (0.01862s) stopped
T12 << 1462315923.48414898 Atomic (1355.75999s) stopped
T12 >> 1462315923.48430896 Communicate (6720.81492s) started
T12 << 1462315939.52488208 Communicate (6736.85549s) stopped
T12 << 1462315939.52491212 Hamiltonian (27750.64619s) stopped
T12 >> 1462315939.52493501 LCAO eigensolver (39326.84304s) started
T12 >> 1462315939.52494788 Potential matrix (589.21277s) started
T12 << 1462315940.49938703 Potential matrix (590.18721s) stopped
T12 >> 1462315940.49945807 DistributedAtomicCorrection (244.14926s) started
T12 << 1462315940.93965292 DistributedAtomicCorrection (244.58945s) stopped
T12 >> 1462315940.93971395 Distribute overlap matrix (4497.21967s) started
T12 >> 1462315940.93973589 blocked summation (2510.76753s) started
T12 << 1462315945.40232301 blocked summation (2515.23012s) stopped
T12 >> 1462315945.41196394 Scalapack redistribute (1980.49350s) started
T12 << 1462315949.05892491 Scalapack redistribute (1984.14046s) stopped
T12 << 1462315949.05902004 Distribute overlap matrix (4505.33898s) stopped
T12 >> 1462315949.06395411 Blacs Orbital Layouts (32921.31140s) started
T12 >> 1462315949.07301807 General diagonalize (32788.70084s) started
T12 << 1462316005.05021906 General diagonalize (32844.67804s) stopped
T12 >> 1462316005.05031204 Redistribute coefs (4.99277s) started
T12 << 1462316005.05761099 Redistribute coefs (5.00007s) stopped
T12 >> 1462316005.05770993 Send coefs to domains (122.07713s) started
T12 << 1462316005.19047093 Send coefs to domains (122.20989s) stopped
T12 << 1462316005.19086599 Blacs Orbital Layouts (32977.43831s) stopped
T12 >> 1462316005.19089389 Calculate projections (1071.97305s) started
T12 << 1462316006.95795012 Calculate projections (1073.74010s) stopped
T12 << 1462316006.95829511 LCAO eigensolver (39394.27640s) stopped
T12 >> 1462316010.07790494 Density (9323.76093s) started
T12 >> 1462316010.07791996 Pseudo density (7200.16806s) started
T12 >> 1462316010.08082795 Calculate density matrix (6762.66374s) started
T12 << 1462316022.04706097 Calculate density matrix (6774.62997s) stopped
T12 >> 1462316022.04710889 Construct density (426.07201s) started
T12 << 1462316022.82524490 Construct density (426.85015s) stopped
T12 >> 1462316022.84148693 Symmetrize density (0.04833s) started
T12 << 1462316022.84154391 Symmetrize density (0.04839s) stopped
T12 << 1462316022.84398603 Pseudo density (7212.93412s) stopped
T12 >> 1462316022.84404302 Atomic density matrices (1873.14165s) started
T12 << 1462316026.32696295 Atomic density matrices (1876.62457s) stopped
T12 >> 1462316026.32699490 Multipole moments (6.72103s) started
T12 << 1462316026.34191489 Multipole moments (6.73595s) stopped
T12 >> 1462316026.34194398 Normalize (3.84215s) started
T12 << 1462316026.34872890 Normalize (3.84893s) stopped
T12 >> 1462316026.34876895 Mix (239.84355s) started
T12 << 1462316026.79651809 Mix (240.29130s) stopped
T12 << 1462316026.79660797 Density (9340.47964s) stopped
T12 >> 1462316026.79664803 Hamiltonian (27750.64620s) started
T12 >> 1462316026.79666805 vbar (15.15564s) started
T12 << 1462316026.82327104 vbar (15.18224s) stopped
T12 >> 1462316026.82333899 XC 3D grid (16050.35119s) started
T12 >> 1462316027.36472988 van der Waals (15502.89243s) started
T12 >> 1462316027.47813392 semilocal (3273.40945s) started
T12 << 1462316033.30242491 semilocal (3279.23374s) stopped
T12 >> 1462316033.37333107 redistribute (1672.08826s) started
T12 << 1462316034.33424807 redistribute (1673.04918s) stopped
T12 >> 1462316034.33429289 libvdwxc nonlocal (10449.26841s) started
T12 << 1462316052.58902502 libvdwxc nonlocal (10467.52315s) stopped
T12 >> 1462316052.58906698 redistribute (1673.04922s) started
T12 << 1462316054.35303903 redistribute (1674.81319s) stopped
T12 << 1462316054.35406208 van der Waals (15529.88177s) stopped
T12 << 1462316054.82869196 XC 3D grid (16078.35655s) stopped
T12 >> 1462316054.82873106 Poisson (3381.70018s) started
T12 << 1462316059.19118190 Poisson (3386.06264s) stopped
T12 >> 1462316059.19125104 Hartree integrate/restrict (210.59790s) started
T12 << 1462316059.23766208 Hartree integrate/restrict (210.64431s) stopped
T12 >> 1462316059.23776603 Hartree integrate/restrict (210.64439s) started
T12 << 1462316059.56899810 Hartree integrate/restrict (210.97562s) stopped
T12 >> 1462316059.56907392 Atomic (1355.76002s) started
T12 >> 1462316059.57130289 XC Correction (0.01863s) started
T12 << 1462316059.57134104 XC Correction (0.01867s) stopped
T12 << 1462316061.96304488 Atomic (1358.15399s) stopped
T12 >> 1462316061.96319890 Communicate (6736.85551s) started
T12 << 1462316077.95834088 Communicate (6752.85065s) stopped
T12 << 1462316077.95837808 Hamiltonian (27801.80793s) stopped
T12 >> 1462316077.95840406 LCAO eigensolver (39394.27642s) started
T12 >> 1462316077.95841694 Potential matrix (590.18725s) started
T12 << 1462316078.93205690 Potential matrix (591.16089s) stopped
T12 >> 1462316078.93214512 DistributedAtomicCorrection (244.58949s) started
T12 << 1462316079.37420106 DistributedAtomicCorrection (245.03155s) stopped
T12 >> 1462316079.37426209 Distribute overlap matrix (4505.33899s) started
T12 >> 1462316079.37428403 blocked summation (2515.23015s) started
T12 << 1462316083.99802399 blocked summation (2519.85389s) stopped
T12 >> 1462316084.00792289 Scalapack redistribute (1984.14052s) started
T12 << 1462316087.52489901 Scalapack redistribute (1987.65750s) stopped
T12 << 1462316087.52500296 Distribute overlap matrix (4513.48973s) stopped
T12 >> 1462316087.52951908 Blacs Orbital Layouts (32977.43833s) started
T12 >> 1462316087.53877807 General diagonalize (32844.67812s) started
T12 << 1462316143.80614495 General diagonalize (32900.94549s) stopped
T12 >> 1462316143.80619192 Redistribute coefs (5.00015s) started
T12 << 1462316143.81345892 Redistribute coefs (5.00742s) stopped
T12 >> 1462316143.81354499 Send coefs to domains (122.20992s) started
T12 << 1462316143.98118591 Send coefs to domains (122.37756s) stopped
T12 << 1462316143.98157501 Blacs Orbital Layouts (33033.89039s) stopped
T12 >> 1462316143.98160410 Calculate projections (1073.74015s) started
T12 << 1462316145.74989510 Calculate projections (1075.50844s) stopped
T12 << 1462316145.75024390 LCAO eigensolver (39462.06826s) stopped
T12 >> 1462316148.88434601 Density (9340.47965s) started
T12 >> 1462316148.88436103 Pseudo density (7212.93417s) started
T12 >> 1462316148.88707089 Calculate density matrix (6774.63000s) started
T12 << 1462316160.65484095 Calculate density matrix (6786.39777s) stopped
T12 >> 1462316160.65489006 Construct density (426.85020s) started
T12 << 1462316161.43565607 Construct density (427.63097s) stopped
T12 >> 1462316161.45215201 Symmetrize density (0.04842s) started
T12 << 1462316161.45221090 Symmetrize density (0.04848s) stopped
T12 << 1462316161.45463204 Pseudo density (7225.50444s) stopped
T12 >> 1462316161.45468903 Atomic density matrices (1876.62459s) started
T12 << 1462316164.94053888 Atomic density matrices (1880.11044s) stopped
T12 >> 1462316164.94057488 Multipole moments (6.73596s) started
T12 << 1462316164.95543003 Multipole moments (6.75082s) stopped
T12 >> 1462316164.95546389 Normalize (3.84896s) started
T12 << 1462316164.96322989 Normalize (3.85672s) stopped
T12 >> 1462316164.96327400 Mix (240.29138s) started
T12 << 1462316165.39210296 Mix (240.72021s) stopped
T12 << 1462316165.39216590 Density (9356.98747s) stopped
T12 >> 1462316165.39219403 Hamiltonian (27801.80795s) started
T12 >> 1462316165.39220810 vbar (15.18228s) started
T12 << 1462316165.42393708 vbar (15.21400s) stopped
T12 >> 1462316165.42401791 XC 3D grid (16078.35658s) started
T12 >> 1462316165.91152906 van der Waals (15529.88179s) started
T12 >> 1462316166.02351999 semilocal (3279.23379s) started
T12 << 1462316171.81774712 semilocal (3285.02802s) stopped
T12 >> 1462316171.89012289 redistribute (1674.81324s) started
T12 << 1462316172.88431692 redistribute (1675.80744s) stopped
T12 >> 1462316172.88438511 libvdwxc nonlocal (10467.52318s) started
T12 << 1462316191.87137389 libvdwxc nonlocal (10486.51017s) stopped
T12 >> 1462316191.87143207 redistribute (1675.80749s) started
T12 << 1462316193.58795810 redistribute (1677.52402s) stopped
T12 << 1462316193.58889008 van der Waals (15557.55915s) stopped
T12 << 1462316194.05617189 XC 3D grid (16106.98873s) stopped
T12 >> 1462316194.05621290 Poisson (3386.06268s) started
T12 << 1462316198.57612801 Poisson (3390.58260s) stopped
T12 >> 1462316198.57619500 Hartree integrate/restrict (210.97565s) started
T12 << 1462316198.62618709 Hartree integrate/restrict (211.02564s) stopped
T12 >> 1462316198.62623405 Hartree integrate/restrict (211.02567s) started
T12 << 1462316198.93806005 Hartree integrate/restrict (211.33750s) stopped
T12 >> 1462316198.93816400 Atomic (1358.15401s) started
T12 >> 1462316198.94002390 XC Correction (0.01868s) started
T12 << 1462316198.94004512 XC Correction (0.01871s) stopped
T12 << 1462316201.33443594 Atomic (1360.55028s) stopped
T12 >> 1462316201.33459091 Communicate (6752.85068s) started
T12 << 1462316217.37289906 Communicate (6768.88899s) stopped
T12 << 1462316217.37293696 Hamiltonian (27853.78869s) stopped
T12 >> 1462316217.37296295 LCAO eigensolver (39462.06828s) started
T12 >> 1462316217.37297606 Potential matrix (591.16095s) started
T12 << 1462316218.34992695 Potential matrix (592.13790s) stopped
T12 >> 1462316218.34999704 DistributedAtomicCorrection (245.03158s) started
T12 << 1462316218.80036092 DistributedAtomicCorrection (245.48195s) stopped
T12 >> 1462316218.80041909 Distribute overlap matrix (4513.48975s) started
T12 >> 1462316218.80044007 blocked summation (2519.85394s) started
T12 << 1462316223.33111691 blocked summation (2524.38462s) stopped
T12 >> 1462316223.34056091 Scalapack redistribute (1987.65756s) started
T12 << 1462316227.04670811 Scalapack redistribute (1991.36371s) stopped
T12 << 1462316227.04679298 Distribute overlap matrix (4521.73612s) stopped
T12 >> 1462316227.05134201 Blacs Orbital Layouts (33033.89041s) started
T12 >> 1462316227.06001306 General diagonalize (32900.94553s) started
T12 << 1462316283.55238199 General diagonalize (32957.43790s) stopped
T12 >> 1462316283.55242705 Redistribute coefs (5.00749s) started
T12 << 1462316283.56009698 Redistribute coefs (5.01516s) stopped
T12 >> 1462316283.56020093 Send coefs to domains (122.37759s) started
T12 << 1462316283.72597194 Send coefs to domains (122.54336s) stopped
T12 << 1462316283.72637296 Blacs Orbital Layouts (33090.56544s) stopped
T12 >> 1462316283.72640109 Calculate projections (1075.50849s) started
T12 << 1462316285.49381495 Calculate projections (1077.27590s) stopped
T12 << 1462316285.49415708 LCAO eigensolver (39530.18947s) stopped
T12 >> 1462316288.61906695 Density (9356.98749s) started
T12 >> 1462316288.61908197 Pseudo density (7225.50449s) started
T12 >> 1462316288.62302494 Calculate density matrix (6786.39780s) started
T12 << 1462316300.61607194 Calculate density matrix (6798.39085s) stopped
T12 >> 1462316300.61612010 Construct density (427.63102s) started
T12 << 1462316301.39482188 Construct density (428.40972s) stopped
T12 >> 1462316301.41121292 Symmetrize density (0.04850s) started
T12 << 1462316301.41126895 Symmetrize density (0.04856s) stopped
T12 << 1462316301.41368794 Pseudo density (7238.29909s) stopped
T12 >> 1462316301.41374612 Atomic density matrices (1880.11047s) started
T12 << 1462316304.87453198 Atomic density matrices (1883.57126s) stopped
T12 >> 1462316304.87456608 Multipole moments (6.75084s) started
T12 << 1462316304.88873696 Multipole moments (6.76501s) stopped
T12 >> 1462316304.88876796 Normalize (3.85676s) started
T12 << 1462316304.89807200 Normalize (3.86606s) stopped
T12 >> 1462316304.89812303 Mix (240.72027s) started
T12 << 1462316305.36346102 Mix (241.18561s) stopped
T12 << 1462316305.36354804 Density (9373.73197s) stopped
T12 >> 1462316305.36358309 Hamiltonian (27853.78870s) started
T12 >> 1462316305.36360002 vbar (15.21404s) started
T12 << 1462316305.39579892 vbar (15.24624s) stopped
T12 >> 1462316305.39591289 XC 3D grid (16106.98876s) started
T12 >> 1462316305.95059609 van der Waals (15557.55918s) started
T12 >> 1462316306.06505799 semilocal (3285.02811s) started
T12 << 1462316311.80572701 semilocal (3290.76878s) stopped
T12 >> 1462316311.88967609 redistribute (1677.52407s) started
T12 << 1462316312.90559697 redistribute (1678.53999s) stopped
T12 >> 1462316312.90566111 libvdwxc nonlocal (10486.51021s) started
T12 << 1462316330.92120194 libvdwxc nonlocal (10504.52575s) stopped
T12 >> 1462316330.92126703 redistribute (1678.54004s) started
T12 << 1462316332.65033102 redistribute (1680.26911s) stopped
T12 << 1462316332.65128708 van der Waals (15584.25987s) stopped
T12 << 1462316333.11733294 XC 3D grid (16134.71018s) stopped
T12 >> 1462316333.11739397 Poisson (3390.58265s) started
T12 << 1462316336.16676593 Poisson (3393.63202s) stopped
T12 >> 1462316336.16688991 Hartree integrate/restrict (211.33755s) started
T12 << 1462316336.21241999 Hartree integrate/restrict (211.38308s) stopped
T12 >> 1462316336.21246910 Hartree integrate/restrict (211.38311s) started
T12 << 1462316336.52451611 Hartree integrate/restrict (211.69516s) stopped
T12 >> 1462316336.52462101 Atomic (1360.55031s) started
T12 >> 1462316336.52635789 XC Correction (0.01872s) started
T12 << 1462316336.52637410 XC Correction (0.01873s) stopped
T12 << 1462316338.92731595 Atomic (1362.95300s) stopped
T12 >> 1462316338.92746401 Communicate (6768.88901s) started
T12 << 1462316354.97016692 Communicate (6784.93172s) stopped
T12 << 1462316354.97020507 Hamiltonian (27903.39533s) stopped
T12 >> 1462316354.97023010 LCAO eigensolver (39530.18949s) started
T12 >> 1462316354.97024298 Potential matrix (592.13794s) started
T12 << 1462316355.93199706 Potential matrix (593.09969s) stopped
T12 >> 1462316355.93206906 DistributedAtomicCorrection (245.48199s) started
T12 << 1462316356.38161397 DistributedAtomicCorrection (245.93153s) stopped
T12 >> 1462316356.38167405 Distribute overlap matrix (4521.73614s) started
T12 >> 1462316356.38169599 blocked summation (2524.38467s) started
T12 << 1462316360.93428111 blocked summation (2528.93726s) stopped
T12 >> 1462316360.94368100 Scalapack redistribute (1991.36376s) started
T12 << 1462316364.51293612 Scalapack redistribute (1994.93301s) stopped
T12 << 1462316364.51303196 Distribute overlap matrix (4529.86750s) stopped
T12 >> 1462316364.51770592 Blacs Orbital Layouts (33090.56545s) started
T12 >> 1462316364.52634311 General diagonalize (32957.43793s) started
T12 << 1462316421.66610694 General diagonalize (33014.57770s) stopped
T12 >> 1462316421.66618109 Redistribute coefs (5.01524s) started
T12 << 1462316421.67315698 Redistribute coefs (5.02222s) stopped
T12 >> 1462316421.67325211 Send coefs to domains (122.54340s) started
T12 << 1462316421.81114006 Send coefs to domains (122.68128s) stopped
T12 << 1462316421.81153011 Blacs Orbital Layouts (33147.85928s) stopped
T12 >> 1462316421.81155801 Calculate projections (1077.27595s) started
T12 << 1462316423.57829905 Calculate projections (1079.04269s) stopped
T12 << 1462316423.57864594 LCAO eigensolver (39598.79791s) stopped
T12 << 1462316426.70753002 SCF-cycle (78828.12856s) stopped
T12 >> 1462316428.82218099 Force calculation (3531.42725s) started
T12 >> 1462316428.82226992 LCAO forces (3493.06640s) started
T12 >> 1462316428.82263589 Initial (0.00102s) started
T12 << 1462316428.82264709 Initial (0.00103s) stopped
T12 >> 1462316428.82939911 Get density matrix (1828.97303s) started
T12 << 1462316437.96767092 Get density matrix (1838.11131s) stopped
T12 >> 1462316437.96771193 Potential (276.34694s) started
T12 << 1462316444.09815407 Potential (282.47738s) stopped
T12 >> 1462316444.09821010 Get density matrix (1838.11134s) started
T12 << 1462316475.19977093 Get density matrix (1869.21290s) stopped
T12 >> 1462316475.19983411 Prepare TCI loop (97.08157s) started
T12 >> 1462316475.20035696 Get neighbors (87.50194s) started
T12 << 1462316477.07184601 Get neighbors (89.37343s) stopped
T12 >> 1462316477.07270193 broadcast dH (9.52763s) started
T12 << 1462316477.44003606 broadcast dH (9.89496s) stopped
T12 << 1462316477.44007802 Prepare TCI loop (99.32181s) stopped
T12 >> 1462316477.44009805 Not so complicated loop (5.36216s) started
T12 << 1462316477.55593395 Not so complicated loop (5.47800s) stopped
T12 >> 1462316477.67059493 Complicated loop (840.28878s) started
T12 << 1462316497.06119990 Complicated loop (859.67939s) stopped
T12 >> 1462316497.06217194 Wait for sum (439.24210s) started
T12 << 1462316507.01182294 Wait for sum (449.19175s) stopped
T12 << 1462316507.01186204 LCAO forces (3571.25599s) stopped
T12 << 1462316507.83512998 Force calculation (3610.44020s) stopped
T12 >> 1462316507.85295010 Initialization (5855.10763s) started
T12 << 1462316507.85312390 Initialization (5855.10780s) stopped
T12 >> 1462316507.85334492 Initialization (5855.10782s) started
T12 << 1462316507.85348392 Initialization (5855.10796s) stopped
T12 >> 1462316507.85362601 Initialization (5855.10797s) started
T12 << 1462316507.85376096 Initialization (5855.10811s) stopped
T12 >> 1462316528.14262509 Initialization (5855.10813s) started
T12 >> 1462316528.26459098 Basic WFS set positions (4.05314s) started
T12 >> 1462316528.26461506 Redistribute (0.01354s) started
T12 << 1462316528.26475000 Redistribute (0.01368s) stopped
T12 << 1462316528.35248804 Basic WFS set positions (4.14104s) stopped
T12 >> 1462316528.35251188 Basis functions set positions (84.24926s) started
T12 << 1462316530.28378797 Basis functions set positions (86.18054s) stopped
T12 >> 1462316530.28436089 TCI: Calculate S, T, P (701.94485s) started
T12 << 1462316546.06101608 TCI: Calculate S, T, P (717.72151s) stopped
T12 >> 1462316546.06107092 blocked summation (1076.73823s) started
T12 << 1462316574.31916499 blocked summation (1104.99632s) stopped
T12 >> 1462316574.32849312 Scalapack redistribute (410.76353s) started
T12 << 1462316585.12976408 Scalapack redistribute (421.56481s) stopped
T12 >> 1462316585.13090205 blocked summation (1104.99637s) started
T12 << 1462316586.21145701 blocked summation (1106.07692s) stopped
T12 >> 1462316586.22085190 Scalapack redistribute (421.56487s) started
T12 << 1462316586.42729998 Scalapack redistribute (421.77132s) stopped
T12 >> 1462316586.42961788 Redistribute (0.10412s) started
T12 << 1462316586.43014193 Redistribute (0.10465s) stopped
T12 >> 1462316588.12738204 Redistribute (0.10467s) started
T12 << 1462316588.12783694 Redistribute (0.10512s) stopped
T12 >> 1462316588.14218712 LCAO WFS Initialize (3486.22562s) started
T12 >> 1462316588.14227390 Density initialize from wavefunctions (659.56854s) started
T12 >> 1462316588.14822197 Calculate density matrix (457.03574s) started
T12 << 1462316597.96891403 Calculate density matrix (466.85643s) stopped
T12 >> 1462316597.96899104 Construct density (34.61233s) started
T12 << 1462316598.74300003 Construct density (35.38634s) stopped
T12 >> 1462316598.75717092 Symmetrize density (0.00377s) started
T12 << 1462316598.75724506 Symmetrize density (0.00384s) stopped
T12 << 1462316602.47667193 Density initialize from wavefunctions (673.90294s) stopped
T12 >> 1462316602.47695398 Hamiltonian (2825.72911s) started
T12 >> 1462316602.47697210 vbar (1.30381s) started
T12 << 1462316602.50244188 vbar (1.32928s) stopped
T12 >> 1462316602.50258398 XC 3D grid (1341.48167s) started
T12 >> 1462316602.97765994 van der Waals (1295.98484s) started
T12 >> 1462316603.08750200 semilocal (272.31523s) started
T12 << 1462316608.83201599 semilocal (278.05975s) stopped
T12 >> 1462316608.91845989 redistribute (150.07429s) started
T12 << 1462316609.93874002 redistribute (151.09457s) stopped
T12 >> 1462316609.93879008 libvdwxc nonlocal (864.59036s) started
T12 << 1462316628.16940594 libvdwxc nonlocal (882.82098s) stopped
T12 >> 1462316628.16946912 redistribute (151.09460s) started
T12 << 1462316629.88304710 redistribute (152.80818s) stopped
T12 << 1462316629.88404608 van der Waals (1322.89123s) stopped
T12 << 1462316630.34738803 XC 3D grid (1369.32648s) stopped
T12 >> 1462316630.34744811 Poisson (686.20432s) started
T12 << 1462316643.50459909 Poisson (699.36147s) stopped
T12 >> 1462316643.50474000 Hartree integrate/restrict (17.48263s) started
T12 << 1462316643.54635596 Hartree integrate/restrict (17.52424s) stopped
T12 >> 1462316643.54645491 Hartree integrate/restrict (17.52431s) started
T12 << 1462316643.86076999 Hartree integrate/restrict (17.83863s) stopped
T12 >> 1462316643.86087394 Atomic (111.32802s) started
T12 >> 1462316643.86287808 XC Correction (0.00176s) started
T12 << 1462316643.86289501 XC Correction (0.00177s) stopped
T12 << 1462316646.24128509 Atomic (113.70843s) stopped
T12 >> 1462316646.24145389 Communicate (667.88382s) started
T12 << 1462316664.30943489 Communicate (685.95180s) stopped
T12 << 1462316664.30947304 Hamiltonian (2887.56163s) stopped
T12 << 1462316664.30948710 LCAO WFS Initialize (3562.39292s) stopped
T12 << 1462316664.32163310 Initialization (5991.28714s) stopped
T12 >> 1462316664.34748697 SCF-cycle (78828.12858s) started
T12 >> 1462316664.34752107 LCAO eigensolver (39598.79792s) started
T12 >> 1462316664.34753394 Potential matrix (593.09973s) started
T12 << 1462316665.31081295 Potential matrix (594.06301s) stopped
T12 >> 1462316665.31088805 DistributedAtomicCorrection (245.93157s) started
T12 << 1462316665.74545097 DistributedAtomicCorrection (246.36613s) stopped
T12 >> 1462316665.74550009 Distribute overlap matrix (4529.86751s) started
T12 >> 1462316665.74552798 blocked summation (2528.93731s) started
T12 << 1462316670.25459504 blocked summation (2533.44637s) stopped
T12 >> 1462316670.26448488 Scalapack redistribute (1994.93307s) started
T12 << 1462316673.78563190 Scalapack redistribute (1998.45421s) stopped
T12 << 1462316673.78571606 Distribute overlap matrix (4537.90773s) stopped
T12 >> 1462316673.79098201 Blacs Orbital Layouts (33147.85930s) started
T12 >> 1462316673.79967594 General diagonalize (33014.57776s) started
T12 << 1462316729.67441010 General diagonalize (33070.45249s) stopped
T12 >> 1462316729.67447710 Redistribute coefs (5.02229s) started
T12 << 1462316729.68252397 Redistribute coefs (5.03034s) stopped
T12 >> 1462316729.68259096 Send coefs to domains (122.68132s) started
T12 << 1462316729.77802491 Send coefs to domains (122.77675s) stopped
T12 << 1462316729.77838111 Blacs Orbital Layouts (33203.84670s) stopped
T12 >> 1462316729.77840805 Calculate projections (1079.04274s) started
T12 << 1462316731.54256797 Calculate projections (1080.80690s) stopped
T12 << 1462316731.54296589 LCAO eigensolver (39665.99337s) stopped
T12 >> 1462316734.67158294 Density (9373.73199s) started
T12 >> 1462316734.67159796 Pseudo density (7238.29914s) started
T12 >> 1462316734.67424989 Calculate density matrix (6798.39088s) started
T12 << 1462316746.44295597 Calculate density matrix (6810.15959s) stopped
T12 >> 1462316746.44300508 Construct density (428.40977s) started
T12 << 1462316747.21772504 Construct density (429.18449s) stopped
T12 >> 1462316747.23262691 Symmetrize density (0.04857s) started
T12 << 1462316747.23269200 Symmetrize density (0.04864s) stopped
T12 << 1462316747.23464799 Pseudo density (7250.86219s) stopped
T12 >> 1462316747.23470902 Atomic density matrices (1883.57128s) started
T12 << 1462316750.69175291 Atomic density matrices (1887.02832s) stopped
T12 >> 1462316750.69178510 Multipole moments (6.76502s) started
T12 << 1462316750.70691609 Multipole moments (6.78015s) stopped
T12 >> 1462316750.70694208 Normalize (3.86610s) started
T12 << 1462316750.71328592 Normalize (3.87244s) stopped
T12 >> 1462316750.71332502 Mix (241.18569s) started
T12 << 1462316751.07050395 Mix (241.54287s) stopped
T12 << 1462316751.07058811 Density (9390.13099s) stopped
T12 >> 1462316751.07062602 Hamiltonian (27903.39534s) started
T12 >> 1462316751.07064295 vbar (15.24631s) started
T12 << 1462316751.10190296 vbar (15.27757s) stopped
T12 >> 1462316751.10202193 XC 3D grid (16134.71023s) started
T12 >> 1462316751.67735100 van der Waals (15584.25989s) started
T12 >> 1462316751.78878307 semilocal (3290.76887s) started
T12 << 1462316757.59873295 semilocal (3296.57882s) stopped
T12 >> 1462316757.67609310 redistribute (1680.26916s) started
T12 << 1462316758.66196108 redistribute (1681.25503s) stopped
T12 >> 1462316758.66200495 libvdwxc nonlocal (10504.52580s) started
T12 << 1462316777.03671288 libvdwxc nonlocal (10522.90051s) stopped
T12 >> 1462316777.03679109 redistribute (1681.25506s) started
T12 << 1462316778.76680493 redistribute (1682.98507s) stopped
T12 << 1462316778.76793408 van der Waals (15611.35048s) stopped
T12 << 1462316779.23249006 XC 3D grid (16162.84070s) stopped
T12 >> 1462316779.23252892 Poisson (3393.63212s) started
T12 << 1462316783.61317706 Poisson (3398.01277s) stopped
T12 >> 1462316783.61325693 Hartree integrate/restrict (211.69521s) started
T12 << 1462316783.66020894 Hartree integrate/restrict (211.74217s) stopped
T12 >> 1462316783.66024995 Hartree integrate/restrict (211.74219s) started
T12 << 1462316783.98144794 Hartree integrate/restrict (212.06339s) stopped
T12 >> 1462316783.98158789 Atomic (1362.95303s) started
T12 >> 1462316783.98526907 XC Correction (0.01875s) started
T12 << 1462316783.98532701 XC Correction (0.01881s) stopped
T12 << 1462316786.36125708 Atomic (1365.33270s) stopped
T12 >> 1462316786.36143589 Communicate (6784.93174s) started
T12 << 1462316804.45550990 Communicate (6803.02582s) stopped
T12 << 1462316804.45554805 Hamiltonian (27956.78026s) stopped
T12 >> 1462316804.45557308 LCAO eigensolver (39665.99339s) started
T12 >> 1462316804.45558596 Potential matrix (594.06306s) started
T12 << 1462316805.43495202 Potential matrix (595.04242s) stopped
T12 >> 1462316805.43502307 DistributedAtomicCorrection (246.36617s) started
T12 << 1462316805.86847591 DistributedAtomicCorrection (246.79962s) stopped
T12 >> 1462316805.86852288 Distribute overlap matrix (4537.90774s) started
T12 >> 1462316805.86855197 blocked summation (2533.44640s) started
T12 << 1462316810.32431293 blocked summation (2537.90216s) stopped
T12 >> 1462316810.33397198 Scalapack redistribute (1998.45425s) started
T12 << 1462316813.92147589 Scalapack redistribute (2002.04176s) stopped
T12 << 1462316813.92154408 Distribute overlap matrix (4545.96076s) stopped
T12 >> 1462316813.92662096 Blacs Orbital Layouts (33203.84671s) started
T12 >> 1462316813.93531108 General diagonalize (33070.45255s) started
T12 << 1462316869.41933203 General diagonalize (33125.93657s) stopped
T12 >> 1462316869.41937709 Redistribute coefs (5.03039s) started
T12 << 1462316869.42803311 Redistribute coefs (5.03905s) stopped
T12 >> 1462316869.42807388 Send coefs to domains (122.77679s) started
T12 << 1462316869.81679511 Send coefs to domains (123.16551s) stopped
T12 << 1462316869.81713891 Blacs Orbital Layouts (33259.73723s) stopped
T12 >> 1462316869.81716800 Calculate projections (1080.80695s) started
T12 << 1462316871.58399606 Calculate projections (1082.57378s) stopped
T12 << 1462316871.58439112 LCAO eigensolver (39733.12220s) stopped
T12 >> 1462316874.70251989 Density (9390.13101s) started
T12 >> 1462316874.70253491 Pseudo density (7250.86224s) started
T12 >> 1462316874.70524812 Calculate density matrix (6810.15962s) started
T12 << 1462316887.57567191 Calculate density matrix (6823.03005s) stopped
T12 >> 1462316887.57572198 Construct density (429.18454s) started
T12 << 1462316888.34770393 Construct density (429.95653s) stopped
T12 >> 1462316888.36146593 Symmetrize density (0.04866s) started
T12 << 1462316888.36152911 Symmetrize density (0.04872s) stopped
T12 << 1462316888.36348510 Pseudo density (7264.52319s) stopped
T12 >> 1462316888.36354208 Atomic density matrices (1887.02835s) started
T12 << 1462316891.82484102 Atomic density matrices (1890.48965s) stopped
T12 >> 1462316891.82487297 Multipole moments (6.78017s) started
T12 << 1462316891.84016204 Multipole moments (6.79546s) stopped
T12 >> 1462316891.84018493 Normalize (3.87247s) started
T12 << 1462316891.84683800 Normalize (3.87912s) stopped
T12 >> 1462316891.84688997 Mix (241.54295s) started
T12 << 1462316892.22779012 Mix (241.92385s) stopped
T12 << 1462316892.22784209 Density (9407.65633s) stopped
T12 >> 1462316892.22786903 Hamiltonian (27956.78027s) started
T12 >> 1462316892.22788310 vbar (15.27764s) started
T12 << 1462316892.25708008 vbar (15.30684s) stopped
T12 >> 1462316892.25721097 XC 3D grid (16162.84073s) started
T12 >> 1462316892.76282501 van der Waals (15611.35050s) started
T12 >> 1462316892.87373304 semilocal (3296.57889s) started
T12 << 1462316898.68183708 semilocal (3302.38700s) stopped
T12 >> 1462316898.75452590 redistribute (1682.98513s) started
T12 << 1462316899.75670004 redistribute (1683.98730s) stopped
T12 >> 1462316899.75674200 libvdwxc nonlocal (10522.90056s) started
T12 << 1462316918.23325396 libvdwxc nonlocal (10541.37707s) stopped
T12 >> 1462316918.23332405 redistribute (1683.98734s) started
T12 << 1462316919.96031308 redistribute (1685.71433s) stopped
T12 << 1462316919.96150994 van der Waals (15638.54919s) stopped
T12 << 1462316920.42628193 XC 3D grid (16191.00980s) stopped
T12 >> 1462316920.42632389 Poisson (3398.01282s) started
T12 << 1462316927.62551999 Poisson (3405.21202s) stopped
T12 >> 1462316927.62559509 Hartree integrate/restrict (212.06347s) started
T12 << 1462316927.67113209 Hartree integrate/restrict (212.10901s) stopped
T12 >> 1462316927.67117405 Hartree integrate/restrict (212.10903s) started
T12 << 1462316927.99718094 Hartree integrate/restrict (212.43504s) stopped
T12 >> 1462316927.99735188 Atomic (1365.33272s) started
T12 >> 1462316927.99966002 XC Correction (0.01883s) started
T12 << 1462316927.99970102 XC Correction (0.01887s) stopped
T12 << 1462316930.36947989 Atomic (1367.70485s) stopped
T12 >> 1462316930.36964989 Communicate (6803.02584s) started
T12 << 1462316948.51389408 Communicate (6821.17009s) stopped
T12 << 1462316948.51392889 Hamiltonian (28013.06633s) stopped
T12 >> 1462316948.51395392 LCAO eigensolver (39733.12222s) started
T12 >> 1462316948.51396704 Potential matrix (595.04247s) started
T12 << 1462316949.48177695 Potential matrix (596.01028s) stopped
T12 >> 1462316949.48184800 DistributedAtomicCorrection (246.79966s) started
T12 << 1462316949.90823698 DistributedAtomicCorrection (247.22605s) stopped
T12 >> 1462316949.90828204 Distribute overlap matrix (4545.96077s) started
T12 >> 1462316949.90831089 blocked summation (2537.90220s) started
T12 << 1462316954.37241197 blocked summation (2542.36630s) stopped
T12 >> 1462316954.38175893 Scalapack redistribute (2002.04179s) started
T12 << 1462316958.07438803 Scalapack redistribute (2005.73442s) stopped
T12 << 1462316958.07449198 Distribute overlap matrix (4554.12698s) stopped
T12 >> 1462316958.07883692 Blacs Orbital Layouts (33259.73725s) started
T12 >> 1462316958.08756804 General diagonalize (33125.93660s) started
T12 << 1462317013.47860909 General diagonalize (33181.32765s) stopped
T12 >> 1462317013.47865605 Redistribute coefs (5.03908s) started
T12 << 1462317013.48732805 Redistribute coefs (5.04775s) stopped
T12 >> 1462317013.48736906 Send coefs to domains (123.16554s) started
T12 << 1462317013.58982706 Send coefs to domains (123.26800s) stopped
T12 << 1462317013.59017491 Blacs Orbital Layouts (33315.24859s) stopped
T12 >> 1462317013.59020400 Calculate projections (1082.57386s) started
T12 << 1462317015.36042690 Calculate projections (1084.34408s) stopped
T12 << 1462317015.36061311 LCAO eigensolver (39799.96888s) stopped
T12 >> 1462317018.48889804 Density (9407.65634s) started
T12 >> 1462317018.48891306 Pseudo density (7264.52324s) started
T12 >> 1462317018.49153996 Calculate density matrix (6823.03008s) started
T12 << 1462317030.37863588 Calculate density matrix (6834.91717s) stopped
T12 >> 1462317030.37868404 Construct density (429.95657s) started
T12 << 1462317031.15188098 Construct density (430.72977s) stopped
T12 >> 1462317031.16569710 Symmetrize density (0.04873s) started
T12 << 1462317031.16576195 Symmetrize density (0.04880s) stopped
T12 << 1462317031.16773200 Pseudo density (7277.20205s) stopped
T12 >> 1462317031.16779494 Atomic density matrices (1890.48967s) started
T12 << 1462317034.57328105 Atomic density matrices (1893.89516s) stopped
T12 >> 1462317034.57331300 Multipole moments (6.79548s) started
T12 << 1462317034.58860612 Multipole moments (6.81077s) stopped
T12 >> 1462317034.58862996 Normalize (3.87916s) started
T12 << 1462317034.59510803 Normalize (3.88564s) stopped
T12 >> 1462317034.59516191 Mix (241.92390s) started
T12 << 1462317035.01107097 Mix (242.33981s) stopped
T12 << 1462317035.01113701 Density (9424.17858s) stopped
T12 >> 1462317035.01116705 Hamiltonian (28013.06635s) started
T12 >> 1462317035.01118207 vbar (15.30692s) started
T12 << 1462317035.03538609 vbar (15.33112s) stopped
T12 >> 1462317035.03552008 XC 3D grid (16191.00984s) started
T12 >> 1462317035.52906990 van der Waals (15638.54922s) started
T12 >> 1462317035.64073801 semilocal (3302.38708s) started
T12 << 1462317041.52253604 semilocal (3308.26888s) stopped
T12 >> 1462317041.59674001 redistribute (1685.71439s) started
T12 << 1462317042.54452705 redistribute (1686.66217s) stopped
T12 >> 1462317042.54456902 libvdwxc nonlocal (10541.37712s) started
T12 << 1462317061.32700610 libvdwxc nonlocal (10560.15956s) stopped
T12 >> 1462317061.32707095 redistribute (1686.66221s) started
T12 << 1462317063.15183711 redistribute (1688.48697s) stopped
T12 << 1462317063.15266490 van der Waals (15666.17281s) stopped
T12 << 1462317063.62469602 XC 3D grid (16219.59901s) stopped
T12 >> 1462317063.62474608 Poisson (3405.21207s) started
T12 << 1462317071.06798792 Poisson (3412.65531s) stopped
T12 >> 1462317071.06806302 Hartree integrate/restrict (212.43513s) started
T12 << 1462317071.11325908 Hartree integrate/restrict (212.48033s) stopped
T12 >> 1462317071.11330605 Hartree integrate/restrict (212.48035s) started
T12 << 1462317071.44797611 Hartree integrate/restrict (212.81502s) stopped
T12 >> 1462317071.44815898 Atomic (1367.70487s) started
T12 >> 1462317071.45074105 XC Correction (0.01889s) started
T12 << 1462317071.45079708 XC Correction (0.01894s) stopped
T12 << 1462317073.81562495 Atomic (1370.07234s) stopped
T12 >> 1462317073.81579399 Communicate (6821.17011s) started
T12 << 1462317091.90308809 Communicate (6839.25740s) stopped
T12 << 1462317091.90312696 Hamiltonian (28069.95831s) stopped
T12 >> 1462317091.90315199 LCAO eigensolver (39799.96890s) started
T12 >> 1462317091.90316510 Potential matrix (596.01032s) started
T12 << 1462317092.86946607 Potential matrix (596.97662s) stopped
T12 >> 1462317092.86953807 DistributedAtomicCorrection (247.22609s) started
T12 << 1462317093.29803610 DistributedAtomicCorrection (247.65459s) stopped
T12 >> 1462317093.29808211 Distribute overlap matrix (4554.12700s) started
T12 >> 1462317093.29811001 blocked summation (2542.36633s) started
T12 << 1462317097.77503204 blocked summation (2546.84325s) stopped
T12 >> 1462317097.78457093 Scalapack redistribute (2005.73448s) started
T12 << 1462317101.37925696 Scalapack redistribute (2009.32917s) stopped
T12 << 1462317101.37935209 Distribute overlap matrix (4562.20827s) stopped
T12 >> 1462317101.38322902 Blacs Orbital Layouts (33315.24861s) started
T12 >> 1462317101.39146399 General diagonalize (33181.32768s) started
T12 << 1462317157.90731907 General diagonalize (33237.84354s) stopped
T12 >> 1462317157.90736508 Redistribute coefs (5.04778s) started
T12 << 1462317157.91581702 Redistribute coefs (5.05624s) stopped
T12 >> 1462317157.91588902 Send coefs to domains (123.26803s) started
T12 << 1462317158.03001404 Send coefs to domains (123.38216s) stopped
T12 << 1462317158.03062510 Blacs Orbital Layouts (33371.89601s) stopped
T12 >> 1462317158.03065300 Calculate projections (1084.34413s) started
T12 << 1462317159.79827499 Calculate projections (1086.11175s) stopped
T12 << 1462317159.79866099 LCAO eigensolver (39867.86441s) stopped
T12 >> 1462317162.92750406 Density (9424.17859s) started
T12 >> 1462317162.92751908 Pseudo density (7277.20210s) started
T12 >> 1462317162.93008995 Calculate density matrix (6834.91721s) started
T12 << 1462317174.70884895 Calculate density matrix (6846.69597s) stopped
T12 >> 1462317174.70889711 Construct density (430.72982s) started
T12 << 1462317175.48041606 Construct density (431.50133s) stopped
T12 >> 1462317175.49536109 Symmetrize density (0.04882s) started
T12 << 1462317175.49542499 Symmetrize density (0.04888s) stopped
T12 << 1462317175.49738097 Pseudo density (7289.77197s) stopped
T12 >> 1462317175.49744105 Atomic density matrices (1893.89518s) started
T12 << 1462317178.87078404 Atomic density matrices (1897.26853s) stopped
T12 >> 1462317178.87081790 Multipole moments (6.81079s) started
T12 << 1462317178.88607311 Multipole moments (6.82604s) stopped
T12 >> 1462317178.88610601 Normalize (3.88568s) started
T12 << 1462317178.89230204 Normalize (3.89187s) stopped
T12 >> 1462317178.89235210 Mix (242.33988s) started
T12 << 1462317179.27226496 Mix (242.71979s) stopped
T12 << 1462317179.27232599 Density (9440.52342s) stopped
T12 >> 1462317179.27235293 Hamiltonian (28069.95832s) started
T12 >> 1462317179.27236891 vbar (15.33121s) started
T12 << 1462317179.29696989 vbar (15.35581s) stopped
T12 >> 1462317179.29707909 XC 3D grid (16219.59905s) started
T12 >> 1462317179.81723404 van der Waals (15666.17284s) started
T12 >> 1462317179.92643189 semilocal (3308.26893s) started
T12 << 1462317185.66092491 semilocal (3314.00342s) stopped
T12 >> 1462317185.73850203 redistribute (1688.48703s) started
T12 << 1462317186.81947899 redistribute (1689.56800s) stopped
T12 >> 1462317186.81952000 libvdwxc nonlocal (10560.15961s) started
T12 << 1462317205.17184305 libvdwxc nonlocal (10578.51193s) stopped
T12 >> 1462317205.17190909 redistribute (1689.56804s) started
T12 << 1462317206.87201190 redistribute (1691.26814s) stopped
T12 << 1462317206.87297702 van der Waals (15693.22858s) stopped
T12 << 1462317207.33766603 XC 3D grid (16247.63964s) stopped
T12 >> 1462317207.33771300 Poisson (3412.65537s) started
T12 << 1462317213.11441708 Poisson (3418.43208s) stopped
T12 >> 1462317213.11455107 Hartree integrate/restrict (212.81512s) started
T12 << 1462317213.15741706 Hartree integrate/restrict (212.85798s) stopped
T12 >> 1462317213.15748596 Hartree integrate/restrict (212.85803s) started
T12 << 1462317213.49135709 Hartree integrate/restrict (213.19190s) stopped
T12 >> 1462317213.49154401 Atomic (1370.07236s) started
T12 >> 1462317213.49428797 XC Correction (0.01896s) started
T12 << 1462317213.49433708 XC Correction (0.01901s) stopped
T12 << 1462317215.85733390 Atomic (1372.43815s) stopped
T12 >> 1462317215.85750294 Communicate (6839.25743s) started
T12 << 1462317232.98970103 Communicate (6856.38963s) stopped
T12 << 1462317232.98973989 Hamiltonian (28123.67571s) stopped
T12 >> 1462317232.98976588 LCAO eigensolver (39867.86443s) started
T12 >> 1462317232.98977995 Potential matrix (596.97666s) started
T12 << 1462317233.96460009 Potential matrix (597.95148s) stopped
T12 >> 1462317233.96467090 DistributedAtomicCorrection (247.65463s) started
T12 << 1462317234.39595509 DistributedAtomicCorrection (248.08591s) stopped
T12 >> 1462317234.39599895 Distribute overlap matrix (4562.20830s) started
T12 >> 1462317234.39602804 blocked summation (2546.84328s) started
T12 << 1462317238.88083410 blocked summation (2551.32809s) stopped
T12 >> 1462317238.89049697 Scalapack redistribute (2009.32923s) started
T12 << 1462317242.51091003 Scalapack redistribute (2012.94964s) stopped
T12 << 1462317242.51099992 Distribute overlap matrix (4570.32330s) stopped
T12 >> 1462317242.51471090 Blacs Orbital Layouts (33371.89602s) started
T12 >> 1462317242.52323508 General diagonalize (33237.84358s) started
T12 << 1462317295.54058409 General diagonalize (33290.86092s) stopped
T12 >> 1462317295.54063010 Redistribute coefs (5.05630s) started
T12 << 1462317295.54893208 Redistribute coefs (5.06460s) stopped
T12 >> 1462317295.54900098 Send coefs to domains (123.38219s) started
T12 << 1462317295.97136807 Send coefs to domains (123.80456s) stopped
T12 << 1462317295.97185397 Blacs Orbital Layouts (33425.35317s) stopped
T12 >> 1462317295.97188210 Calculate projections (1086.11180s) started
T12 << 1462317297.73574901 Calculate projections (1087.87567s) stopped
T12 << 1462317297.73610711 LCAO eigensolver (39932.61077s) stopped
T12 >> 1462317300.86188889 Density (9440.52343s) started
T12 >> 1462317300.86190510 Pseudo density (7289.77201s) started
T12 >> 1462317300.86474800 Calculate density matrix (6846.69600s) started
T12 << 1462317312.65732408 Calculate density matrix (6858.48857s) stopped
T12 >> 1462317312.65737200 Construct density (431.50138s) started
T12 << 1462317313.42831492 Construct density (432.27233s) stopped
T12 >> 1462317313.44243097 Symmetrize density (0.04890s) started
T12 << 1462317313.44249392 Symmetrize density (0.04896s) stopped
T12 << 1462317313.44449997 Pseudo density (7302.35461s) stopped
T12 >> 1462317313.44456005 Atomic density matrices (1897.26855s) started
T12 << 1462317316.83840990 Atomic density matrices (1900.66240s) stopped
T12 >> 1462317316.83844304 Multipole moments (6.82606s) started
T12 << 1462317316.85288692 Multipole moments (6.84050s) stopped
T12 >> 1462317316.85292006 Normalize (3.89191s) started
T12 << 1462317316.85909200 Normalize (3.89808s) stopped
T12 >> 1462317316.85913897 Mix (242.71985s) started
T12 << 1462317317.26887703 Mix (243.12959s) stopped
T12 << 1462317317.26897597 Density (9456.93052s) stopped
T12 >> 1462317317.26901507 Hamiltonian (28123.67572s) started
T12 >> 1462317317.26903510 vbar (15.35587s) started
T12 << 1462317317.28968501 vbar (15.37652s) stopped
T12 >> 1462317317.28979206 XC 3D grid (16247.63968s) started
T12 >> 1462317317.80195808 van der Waals (15693.22861s) started
T12 >> 1462317317.91129589 semilocal (3314.00351s) started
T12 << 1462317323.66343093 semilocal (3319.75565s) stopped
T12 >> 1462317323.74236608 redistribute (1691.26819s) started
T12 << 1462317324.81182790 redistribute (1692.33766s) stopped
T12 >> 1462317324.81188107 libvdwxc nonlocal (10578.51198s) started
T12 << 1462317343.12911606 libvdwxc nonlocal (10596.82921s) stopped
T12 >> 1462317343.12918210 redistribute (1692.33769s) started
T12 << 1462317344.81643605 redistribute (1694.02494s) stopped
T12 << 1462317344.81761694 van der Waals (15720.24427s) stopped
T12 << 1462317345.28448796 XC 3D grid (16275.63438s) stopped
T12 >> 1462317345.28453112 Poisson (3418.43218s) started
T12 << 1462317352.64650893 Poisson (3425.79416s) stopped
T12 >> 1462317352.64659190 Hartree integrate/restrict (213.19199s) started
T12 << 1462317352.69368911 Hartree integrate/restrict (213.23909s) stopped
T12 >> 1462317352.69374394 Hartree integrate/restrict (213.23913s) started
T12 << 1462317353.02193809 Hartree integrate/restrict (213.56732s) stopped
T12 >> 1462317353.02209997 Atomic (1372.43817s) started
T12 >> 1462317353.02448606 XC Correction (0.01903s) started
T12 << 1462317353.02451801 XC Correction (0.01906s) stopped
T12 << 1462317355.40867591 Atomic (1374.82475s) stopped
T12 >> 1462317355.40884304 Communicate (6856.38966s) started
T12 << 1462317371.75670409 Communicate (6872.73752s) stopped
T12 << 1462317371.75674105 Hamiltonian (28178.16345s) stopped
T12 >> 1462317371.75676608 LCAO eigensolver (39932.61079s) started
T12 >> 1462317371.75677991 Potential matrix (597.95153s) started
T12 << 1462317372.72949004 Potential matrix (598.92424s) stopped
T12 >> 1462317372.72956109 DistributedAtomicCorrection (248.08595s) started
T12 << 1462317373.15849209 DistributedAtomicCorrection (248.51488s) stopped
T12 >> 1462317373.15855193 Distribute overlap matrix (4570.32332s) started
T12 >> 1462317373.15857291 blocked summation (2551.32812s) started
T12 << 1462317377.63834810 blocked summation (2555.80789s) stopped
T12 >> 1462317377.64808893 Scalapack redistribute (2012.94970s) started
T12 << 1462317381.30329800 Scalapack redistribute (2016.60491s) stopped
T12 << 1462317381.30339789 Distribute overlap matrix (4578.46816s) stopped
T12 >> 1462317381.30720711 Blacs Orbital Layouts (33425.35319s) started
T12 >> 1462317381.31560493 General diagonalize (33290.86096s) started
T12 << 1462317436.14689493 General diagonalize (33345.69225s) stopped
T12 >> 1462317436.14694095 Redistribute coefs (5.06465s) started
T12 << 1462317436.15552902 Redistribute coefs (5.07324s) stopped
T12 >> 1462317436.15557194 Send coefs to domains (123.80459s) started
T12 << 1462317436.28767705 Send coefs to domains (123.93669s) stopped
T12 << 1462317436.28800011 Blacs Orbital Layouts (33480.33398s) stopped
T12 >> 1462317436.28803611 Calculate projections (1087.87572s) started
T12 << 1462317438.05227804 Calculate projections (1089.63997s) stopped
T12 << 1462317438.05262589 LCAO eigensolver (39998.90664s) stopped
T12 >> 1462317441.18526196 Density (9456.93053s) started
T12 >> 1462317441.18527699 Pseudo density (7302.35466s) started
T12 >> 1462317441.18880200 Calculate density matrix (6858.48861s) started
T12 << 1462317452.97635603 Calculate density matrix (6870.27616s) stopped
T12 >> 1462317452.97640491 Construct density (432.27238s) started
T12 << 1462317453.74729800 Construct density (433.04327s) stopped
T12 >> 1462317453.76119089 Symmetrize density (0.04898s) started
T12 << 1462317453.76125312 Symmetrize density (0.04904s) stopped
T12 << 1462317453.76320410 Pseudo density (7314.93258s) stopped
T12 >> 1462317453.76326299 Atomic density matrices (1900.66243s) started
T12 << 1462317457.18403697 Atomic density matrices (1904.08320s) stopped
T12 >> 1462317457.18407011 Multipole moments (6.84052s) started
T12 << 1462317457.19926310 Multipole moments (6.85571s) stopped
T12 >> 1462317457.19929504 Normalize (3.89811s) started
T12 << 1462317457.20619297 Normalize (3.90501s) stopped
T12 >> 1462317457.20628595 Mix (243.12968s) started
T12 << 1462317457.62146401 Mix (243.54486s) stopped
T12 << 1462317457.62157989 Density (9473.36685s) stopped
T12 >> 1462317457.62162709 Hamiltonian (28178.16346s) started
T12 >> 1462317457.62164688 vbar (15.37658s) started
T12 << 1462317457.64899611 vbar (15.40393s) stopped
T12 >> 1462317457.64913201 XC 3D grid (16275.63441s) started
T12 >> 1462317458.15276408 van der Waals (15720.24429s) started
T12 >> 1462317458.26044393 semilocal (3319.75572s) started
T12 << 1462317464.05397010 semilocal (3325.54924s) stopped
T12 >> 1462317464.13967299 redistribute (1694.02500s) started
T12 << 1462317465.14920902 redistribute (1695.03454s) stopped
T12 >> 1462317465.14925194 libvdwxc nonlocal (10596.82926s) started
T12 << 1462317483.68107605 libvdwxc nonlocal (10615.36109s) stopped
T12 >> 1462317483.68113995 redistribute (1695.03457s) started
T12 << 1462317485.47719908 redistribute (1696.83063s) stopped
T12 << 1462317485.47821093 van der Waals (15747.56974s) stopped
T12 << 1462317485.94510508 XC 3D grid (16303.93038s) stopped
T12 >> 1462317485.94517207 Poisson (3425.79422s) started
T12 << 1462317490.38360310 Poisson (3430.23265s) stopped
T12 >> 1462317490.38367701 Hartree integrate/restrict (213.56740s) started
T12 << 1462317490.42737603 Hartree integrate/restrict (213.61110s) stopped
T12 >> 1462317490.42742801 Hartree integrate/restrict (213.61113s) started
T12 << 1462317490.75725102 Hartree integrate/restrict (213.94096s) stopped
T12 >> 1462317490.75739098 Atomic (1374.82477s) started
T12 >> 1462317490.75989795 XC Correction (0.01907s) started
T12 << 1462317490.75994396 XC Correction (0.01912s) stopped
T12 << 1462317493.14011502 Atomic (1377.20750s) stopped
T12 >> 1462317493.14027309 Communicate (6872.73754s) started
T12 << 1462317509.47074795 Communicate (6889.06802s) stopped
T12 << 1462317509.47078395 Hamiltonian (28230.01262s) stopped
T12 >> 1462317509.47081399 LCAO eigensolver (39998.90666s) started
T12 >> 1462317509.47082710 Potential matrix (598.92428s) started
T12 << 1462317510.44789791 Potential matrix (599.90135s) stopped
T12 >> 1462317510.44797111 DistributedAtomicCorrection (248.51491s) started
T12 << 1462317510.88286209 DistributedAtomicCorrection (248.94981s) stopped
T12 >> 1462317510.88292289 Distribute overlap matrix (4578.46818s) started
T12 >> 1462317510.88294506 blocked summation (2555.80793s) started
T12 << 1462317515.38742590 blocked summation (2560.31241s) stopped
T12 >> 1462317515.39670992 Scalapack redistribute (2016.60497s) started
T12 << 1462317518.98278499 Scalapack redistribute (2020.19104s) stopped
T12 << 1462317518.98288202 Distribute overlap matrix (4586.56813s) stopped
T12 >> 1462317518.98711801 Blacs Orbital Layouts (33480.33400s) started
T12 >> 1462317518.99573994 General diagonalize (33345.69229s) started
T12 << 1462317573.90654612 General diagonalize (33400.60310s) stopped
T12 >> 1462317573.90660000 Redistribute coefs (5.07327s) started
T12 << 1462317573.91624999 Redistribute coefs (5.08292s) stopped
T12 >> 1462317573.91629696 Send coefs to domains (123.93673s) started
T12 << 1462317574.01946497 Send coefs to domains (124.03990s) stopped
T12 << 1462317574.01993608 Blacs Orbital Layouts (33535.36682s) stopped
T12 >> 1462317574.01996589 Calculate projections (1089.64001s) started
T12 << 1462317575.79935288 Calculate projections (1091.41940s) stopped
T12 << 1462317575.79979396 LCAO eigensolver (40065.23564s) stopped
T12 >> 1462317578.90036702 Density (9473.36687s) started
T12 >> 1462317578.90038300 Pseudo density (7314.93263s) started
T12 >> 1462317578.90504694 Calculate density matrix (6870.27620s) started
T12 << 1462317591.86824608 Calculate density matrix (6883.23940s) stopped
T12 >> 1462317591.86830306 Construct density (433.04332s) started
T12 << 1462317592.64094210 Construct density (433.81596s) stopped
T12 >> 1462317592.65716600 Symmetrize density (0.04906s) started
T12 << 1462317592.65723896 Symmetrize density (0.04913s) stopped
T12 << 1462317592.65968990 Pseudo density (7328.69194s) stopped
T12 >> 1462317592.65975809 Atomic density matrices (1904.08323s) started
T12 << 1462317596.12486506 Atomic density matrices (1907.54834s) stopped
T12 >> 1462317596.12490392 Multipole moments (6.85573s) started
T12 << 1462317596.14022207 Multipole moments (6.87104s) stopped
T12 >> 1462317596.14025688 Normalize (3.90508s) started
T12 << 1462317596.14708591 Normalize (3.91191s) stopped
T12 >> 1462317596.14713001 Mix (243.54497s) started
T12 << 1462317596.64506793 Mix (244.04291s) stopped
T12 << 1462317596.64511108 Density (9491.11161s) stopped
T12 >> 1462317596.64513493 Hamiltonian (28230.01263s) started
T12 >> 1462317596.64514899 vbar (15.40401s) started
T12 << 1462317596.66457391 vbar (15.42343s) stopped
T12 >> 1462317596.66467094 XC 3D grid (16303.93044s) started
T12 >> 1462317597.18285608 van der Waals (15747.56977s) started
T12 >> 1462317597.29124093 semilocal (3325.54934s) started
T12 << 1462317603.09649396 semilocal (3331.35459s) stopped
T12 >> 1462317603.17752910 redistribute (1696.83069s) started
T12 << 1462317604.16644812 redistribute (1697.81961s) stopped
T12 >> 1462317604.16649103 libvdwxc nonlocal (10615.36114s) started
T12 << 1462317622.52135801 libvdwxc nonlocal (10633.71600s) stopped
T12 >> 1462317622.52142191 redistribute (1697.81964s) started
T12 << 1462317624.24804902 redistribute (1699.54627s) stopped
T12 << 1462317624.24907398 van der Waals (15774.63598s) stopped
T12 << 1462317624.71461797 XC 3D grid (16331.98039s) stopped
T12 >> 1462317624.71465993 Poisson (3430.23270s) started
T12 << 1462317629.10865092 Poisson (3434.62670s) stopped
T12 >> 1462317629.10873389 Hartree integrate/restrict (213.94103s) started
T12 << 1462317629.15628290 Hartree integrate/restrict (213.98858s) stopped
T12 >> 1462317629.15636396 Hartree integrate/restrict (213.98864s) started
T12 << 1462317629.50261688 Hartree integrate/restrict (214.33489s) stopped
T12 >> 1462317629.50273108 Atomic (1377.20752s) started
T12 >> 1462317629.50470495 XC Correction (0.01913s) started
T12 << 1462317629.50472498 XC Correction (0.01915s) stopped
T12 << 1462317631.88377810 Atomic (1379.58857s) stopped
T12 >> 1462317631.88393593 Communicate (6889.06804s) started
T12 << 1462317648.21016908 Communicate (6905.39427s) stopped
T12 << 1462317648.21019602 Hamiltonian (28281.57769s) stopped
T12 >> 1462317648.21021700 LCAO eigensolver (40065.23566s) started
T12 >> 1462317648.21023011 Potential matrix (599.90139s) started
T12 << 1462317649.17604208 Potential matrix (600.86720s) stopped
T12 >> 1462317649.17611098 DistributedAtomicCorrection (248.94984s) started
T12 << 1462317649.60235405 DistributedAtomicCorrection (249.37609s) stopped
T12 >> 1462317649.60241604 Distribute overlap matrix (4586.56815s) started
T12 >> 1462317649.60243702 blocked summation (2560.31244s) started
T12 << 1462317654.13159800 blocked summation (2564.84160s) stopped
T12 >> 1462317654.14199901 Scalapack redistribute (2020.19110s) started
T12 << 1462317657.74575400 Scalapack redistribute (2023.79486s) stopped
T12 << 1462317657.74585605 Distribute overlap matrix (4594.71159s) stopped
T12 >> 1462317657.75010204 Blacs Orbital Layouts (33535.36684s) started
T12 >> 1462317657.75851893 General diagonalize (33400.60314s) started
T12 << 1462317712.41690493 General diagonalize (33455.26152s) stopped
T12 >> 1462317712.41695094 Redistribute coefs (5.08296s) started
T12 << 1462317712.42547107 Redistribute coefs (5.09148s) stopped
T12 >> 1462317712.42551208 Send coefs to domains (124.03994s) started
T12 << 1462317712.70954108 Send coefs to domains (124.32397s) stopped
T12 << 1462317712.71002412 Blacs Orbital Layouts (33590.32676s) stopped
T12 >> 1462317712.71005201 Calculate projections (1091.41946s) started
T12 << 1462317714.47830701 Calculate projections (1093.18771s) stopped
T12 << 1462317714.47866011 LCAO eigensolver (40131.50411s) stopped
T12 >> 1462317717.58647990 Density (9491.11163s) started
T12 >> 1462317717.58649492 Pseudo density (7328.69199s) started
T12 >> 1462317717.58867002 Calculate density matrix (6883.23943s) started
T12 << 1462317729.40244389 Calculate density matrix (6895.05321s) stopped
T12 >> 1462317729.40249205 Construct density (433.81602s) started
T12 << 1462317730.17496705 Construct density (434.58850s) stopped
T12 >> 1462317730.18988490 Symmetrize density (0.04915s) started
T12 << 1462317730.18994689 Symmetrize density (0.04921s) stopped
T12 << 1462317730.19201303 Pseudo density (7341.29751s) stopped
T12 >> 1462317730.19206905 Atomic density matrices (1907.54836s) started
T12 << 1462317733.56330299 Atomic density matrices (1910.91960s) stopped
T12 >> 1462317733.56333709 Multipole moments (6.87106s) started
T12 << 1462317733.57793093 Multipole moments (6.88565s) stopped
T12 >> 1462317733.57796311 Normalize (3.91194s) started
T12 << 1462317733.58448792 Normalize (3.91847s) stopped
T12 >> 1462317733.58453989 Mix (244.04295s) started
T12 << 1462317734.03142810 Mix (244.48984s) stopped
T12 << 1462317734.03149199 Density (9507.55664s) stopped
T12 >> 1462317734.03152490 Hamiltonian (28281.57771s) started
T12 >> 1462317734.03153992 vbar (15.42349s) started
T12 << 1462317734.05374694 vbar (15.44569s) stopped
T12 >> 1462317734.05383301 XC 3D grid (16331.98042s) started
T12 >> 1462317734.55691600 van der Waals (15774.63601s) started
T12 >> 1462317734.66409397 semilocal (3331.35468s) started
T12 << 1462317740.41981506 semilocal (3337.11040s) stopped
T12 >> 1462317740.50260305 redistribute (1699.54632s) started
T12 << 1462317741.51163006 redistribute (1700.55535s) stopped
T12 >> 1462317741.51167297 libvdwxc nonlocal (10633.71605s) started
T12 << 1462317760.01146293 libvdwxc nonlocal (10652.21584s) stopped
T12 >> 1462317760.01152396 redistribute (1700.55538s) started
T12 << 1462317761.71116304 redistribute (1702.25502s) stopped
T12 << 1462317761.71225095 van der Waals (15801.79135s) stopped
T12 << 1462317762.17796111 XC 3D grid (16360.10455s) stopped
T12 >> 1462317762.17802191 Poisson (3434.62676s) started
T12 << 1462317766.61371994 Poisson (3439.06246s) stopped
T12 >> 1462317766.61386299 Hartree integrate/restrict (214.33495s) started
T12 << 1462317766.66239691 Hartree integrate/restrict (214.38349s) stopped
T12 >> 1462317766.66248012 Hartree integrate/restrict (214.38354s) started
T12 << 1462317767.00647902 Hartree integrate/restrict (214.72754s) stopped
T12 >> 1462317767.00655603 Atomic (1379.58859s) started
T12 >> 1462317767.00839305 XC Correction (0.01917s) started
T12 << 1462317767.00841188 XC Correction (0.01919s) stopped
T12 << 1462317769.39472294 Atomic (1381.97676s) stopped
T12 >> 1462317769.39487290 Communicate (6905.39429s) started
T12 << 1462317785.79861212 Communicate (6921.79803s) stopped
T12 << 1462317785.79864693 Hamiltonian (28333.34483s) stopped
T12 >> 1462317785.79867101 LCAO eigensolver (40131.50412s) started
T12 >> 1462317785.79868388 Potential matrix (600.86724s) started
T12 << 1462317786.76750398 Potential matrix (601.83606s) stopped
T12 >> 1462317786.76757503 DistributedAtomicCorrection (249.37613s) started
T12 << 1462317787.19591188 DistributedAtomicCorrection (249.80446s) stopped
T12 >> 1462317787.19597411 Distribute overlap matrix (4594.71160s) started
T12 >> 1462317787.19599390 blocked summation (2564.84163s) started
T12 << 1462317791.66386890 blocked summation (2569.30950s) stopped
T12 >> 1462317791.67384005 Scalapack redistribute (2023.79492s) started
T12 << 1462317795.34461308 Scalapack redistribute (2027.46570s) stopped
T12 << 1462317795.34471202 Distribute overlap matrix (4602.86034s) stopped
T12 >> 1462317795.34858990 Blacs Orbital Layouts (33590.32678s) started
T12 >> 1462317795.35735393 General diagonalize (33455.26156s) started
T12 << 1462317848.67593408 General diagonalize (33508.58014s) stopped
T12 >> 1462317848.67600799 Redistribute coefs (5.09151s) started
T12 << 1462317848.68462706 Redistribute coefs (5.10013s) stopped
T12 >> 1462317848.68469000 Send coefs to domains (124.32400s) started
T12 << 1462317848.81093907 Send coefs to domains (124.45025s) stopped
T12 << 1462317848.81140709 Blacs Orbital Layouts (33643.78960s) stopped
T12 >> 1462317848.81143403 Calculate projections (1093.18776s) started
T12 << 1462317850.58027792 Calculate projections (1094.95661s) stopped
T12 << 1462317850.58062696 LCAO eigensolver (40196.28608s) stopped
T12 >> 1462317853.69582796 Density (9507.55665s) started
T12 >> 1462317853.69584298 Pseudo density (7341.29755s) started
T12 >> 1462317853.69788289 Calculate density matrix (6895.05324s) started
T12 << 1462317865.62550497 Calculate density matrix (6906.98086s) stopped
T12 >> 1462317865.62555194 Construct density (434.58855s) started
T12 << 1462317866.39826894 Construct density (435.36126s) stopped
T12 >> 1462317866.41315198 Symmetrize density (0.04923s) started
T12 << 1462317866.41321206 Symmetrize density (0.04929s) stopped
T12 << 1462317866.41527295 Pseudo density (7354.01698s) stopped
T12 >> 1462317866.41533089 Atomic density matrices (1910.91962s) started
T12 << 1462317869.80625296 Atomic density matrices (1914.31055s) stopped
T12 >> 1462317869.80628705 Multipole moments (6.88567s) started
T12 << 1462317869.82076812 Multipole moments (6.90015s) stopped
T12 >> 1462317869.82080412 Normalize (3.91851s) started
T12 << 1462317869.82717705 Normalize (3.92488s) stopped
T12 >> 1462317869.82722592 Mix (244.48990s) started
T12 << 1462317870.26714897 Mix (244.92982s) stopped
T12 << 1462317870.26723409 Density (9524.12806s) stopped
T12 >> 1462317870.26726890 Hamiltonian (28333.34484s) started
T12 >> 1462317870.26728606 vbar (15.44573s) started
T12 << 1462317870.29178190 vbar (15.47023s) stopped
T12 >> 1462317870.29190612 XC 3D grid (16360.10460s) started
T12 >> 1462317870.81048489 van der Waals (15801.79138s) started
T12 >> 1462317870.91974401 semilocal (3337.11048s) started
T12 << 1462317876.70130897 semilocal (3342.89204s) stopped
T12 >> 1462317876.78136611 redistribute (1702.25507s) started
T12 << 1462317877.81287599 redistribute (1703.28658s) stopped
T12 >> 1462317877.81293607 libvdwxc nonlocal (10652.21589s) started
T12 << 1462317896.32881808 libvdwxc nonlocal (10670.73177s) stopped
T12 >> 1462317896.32888293 redistribute (1703.28663s) started
T12 << 1462317898.03739095 redistribute (1704.99514s) stopped
T12 << 1462317898.03858590 van der Waals (15829.01948s) stopped
T12 << 1462317898.51162004 XC 3D grid (16388.32431s) stopped
T12 >> 1462317898.51168108 Poisson (3439.06257s) started
T12 << 1462317901.47481704 Poisson (3442.02571s) stopped
T12 >> 1462317901.47489691 Hartree integrate/restrict (214.72758s) started
T12 << 1462317901.52048111 Hartree integrate/restrict (214.77316s) stopped
T12 >> 1462317901.52058196 Hartree integrate/restrict (214.77323s) started
T12 << 1462317901.88779712 Hartree integrate/restrict (215.14045s) stopped
T12 >> 1462317901.88795805 Atomic (1381.97678s) started
T12 >> 1462317901.89058495 XC Correction (0.01920s) started
T12 << 1462317901.89063692 XC Correction (0.01925s) stopped
T12 << 1462317904.27072096 Atomic (1384.35954s) stopped
T12 >> 1462317904.27086496 Communicate (6921.79805s) started
T12 << 1462317920.70276189 Communicate (6938.22995s) stopped
T12 << 1462317920.70280290 Hamiltonian (28383.78038s) stopped
T12 >> 1462317920.70282888 LCAO eigensolver (40196.28610s) started
T12 >> 1462317920.70284200 Potential matrix (601.83611s) started
T12 << 1462317921.66780806 Potential matrix (602.80107s) stopped
T12 >> 1462317921.66787791 DistributedAtomicCorrection (249.80450s) started
T12 << 1462317922.09773993 DistributedAtomicCorrection (250.23437s) stopped
T12 >> 1462317922.09780502 Distribute overlap matrix (4602.86035s) started
T12 >> 1462317922.09782696 blocked summation (2569.30954s) started
T12 << 1462317926.59096408 blocked summation (2573.80267s) stopped
T12 >> 1462317926.60038090 Scalapack redistribute (2027.46575s) started
T12 << 1462317930.15110493 Scalapack redistribute (2031.01648s) stopped
T12 << 1462317930.15120602 Distribute overlap matrix (4610.91375s) stopped
T12 >> 1462317930.15529299 Blacs Orbital Layouts (33643.78962s) started
T12 >> 1462317930.16384602 General diagonalize (33508.58021s) started
T12 << 1462317986.23014212 General diagonalize (33564.64650s) stopped
T12 >> 1462317986.23018599 Redistribute coefs (5.10018s) started
T12 << 1462317986.23839998 Redistribute coefs (5.10840s) stopped
T12 >> 1462317986.23847198 Send coefs to domains (124.45028s) started
T12 << 1462317986.33186197 Send coefs to domains (124.54367s) stopped
T12 << 1462317986.33227706 Blacs Orbital Layouts (33699.96660s) stopped
T12 >> 1462317986.33230495 Calculate projections (1094.95666s) started
T12 << 1462317988.10185409 Calculate projections (1096.72621s) stopped
T12 << 1462317988.10220003 LCAO eigensolver (40263.68547s) stopped
T12 >> 1462317991.21500301 Density (9524.12807s) started
T12 >> 1462317991.21501899 Pseudo density (7354.01703s) started
T12 >> 1462317991.21745610 Calculate density matrix (6906.98090s) started
T12 << 1462318003.00668597 Calculate density matrix (6918.77013s) stopped
T12 >> 1462318003.00673389 Construct density (435.36131s) started
T12 << 1462318003.77904391 Construct density (436.13362s) stopped
T12 >> 1462318003.79296708 Symmetrize density (0.04930s) started
T12 << 1462318003.79302692 Symmetrize density (0.04936s) stopped
T12 << 1462318003.79509091 Pseudo density (7366.59710s) stopped
T12 >> 1462318003.79514909 Atomic density matrices (1914.31057s) started
T12 << 1462318007.19909406 Atomic density matrices (1917.71452s) stopped
T12 >> 1462318007.19912696 Multipole moments (6.90017s) started
T12 << 1462318007.21437097 Multipole moments (6.91541s) stopped
T12 >> 1462318007.21440196 Normalize (3.92491s) started
T12 << 1462318007.22078300 Normalize (3.93129s) stopped
T12 >> 1462318007.22083712 Mix (244.92991s) started
T12 << 1462318007.68475294 Mix (245.39382s) stopped
T12 << 1462318007.68480992 Density (9540.59788s) stopped
T12 >> 1462318007.68484092 Hamiltonian (28383.78039s) started
T12 >> 1462318007.68485689 vbar (15.47030s) started
T12 << 1462318007.71713305 vbar (15.50258s) stopped
T12 >> 1462318007.71722293 XC 3D grid (16388.32436s) started
T12 >> 1462318008.17526507 van der Waals (15829.01950s) started
T12 >> 1462318008.28976202 semilocal (3342.89211s) started
T12 << 1462318014.09967303 semilocal (3348.70202s) stopped
T12 >> 1462318014.17349195 redistribute (1704.99520s) started
T12 << 1462318015.18166900 redistribute (1706.00337s) stopped
T12 >> 1462318015.18171906 libvdwxc nonlocal (10670.73182s) started
T12 << 1462318032.83415890 libvdwxc nonlocal (10688.38426s) stopped
T12 >> 1462318032.83424306 redistribute (1706.00341s) started
T12 << 1462318034.84518504 redistribute (1708.01436s) stopped
T12 << 1462318034.84634209 van der Waals (15855.69058s) stopped
T12 << 1462318035.31034088 XC 3D grid (16415.91748s) stopped
T12 >> 1462318035.31039000 Poisson (3442.02576s) started
T12 << 1462318039.67303395 Poisson (3446.38841s) stopped
T12 >> 1462318039.67313099 Hartree integrate/restrict (215.14053s) started
T12 << 1462318039.71171904 Hartree integrate/restrict (215.17912s) stopped
T12 >> 1462318039.71179509 Hartree integrate/restrict (215.17917s) started
T12 << 1462318040.04884911 Hartree integrate/restrict (215.51622s) stopped
T12 >> 1462318040.04900694 Atomic (1384.35957s) started
T12 >> 1462318040.05186605 XC Correction (0.01927s) started
T12 << 1462318040.05191302 XC Correction (0.01932s) stopped
T12 << 1462318042.42678404 Atomic (1386.73734s) stopped
T12 >> 1462318042.42693591 Communicate (6938.22997s) started
T12 << 1462318058.85525298 Communicate (6954.65829s) stopped
T12 << 1462318058.85529494 Hamiltonian (28434.95084s) stopped
T12 >> 1462318058.85532308 LCAO eigensolver (40263.68549s) started
T12 >> 1462318058.85533690 Potential matrix (602.80111s) started
T12 << 1462318059.82600093 Potential matrix (603.77178s) stopped
T12 >> 1462318059.82609797 DistributedAtomicCorrection (250.23440s) started
T12 << 1462318060.27547598 DistributedAtomicCorrection (250.68378s) stopped
T12 >> 1462318060.27554202 Distribute overlap matrix (4610.91376s) started
T12 >> 1462318060.27556705 blocked summation (2573.80270s) started
T12 << 1462318064.73061609 blocked summation (2578.25775s) stopped
T12 >> 1462318064.74132705 Scalapack redistribute (2031.01654s) started
T12 << 1462318068.44830489 Scalapack redistribute (2034.72352s) stopped
T12 << 1462318068.44843602 Distribute overlap matrix (4619.08666s) stopped
T12 >> 1462318068.45393491 Blacs Orbital Layouts (33699.96662s) started
T12 >> 1462318068.46275306 General diagonalize (33564.64654s) started
T12 << 1462318123.67828894 General diagonalize (33619.86208s) stopped
T12 >> 1462318123.67834210 Redistribute coefs (5.10846s) started
T12 << 1462318123.68727398 Redistribute coefs (5.11739s) stopped
T12 >> 1462318123.68732190 Send coefs to domains (124.54370s) started
T12 << 1462318124.03336906 Send coefs to domains (124.88975s) stopped
T12 << 1462318124.03393102 Blacs Orbital Layouts (33755.54662s) stopped
T12 >> 1462318124.03396106 Calculate projections (1096.72625s) started
T12 << 1462318125.80217195 Calculate projections (1098.49446s) stopped
T12 << 1462318125.80265903 LCAO eigensolver (40330.63282s) stopped
T12 << 1462318128.91241288 SCF-cycle (80292.69351s) stopped
T12 >> 1462318130.91817188 Force calculation (3610.44023s) started
T12 >> 1462318130.91825604 LCAO forces (3571.25600s) started
T12 >> 1462318130.91862607 Initial (0.00104s) started
T12 << 1462318130.91863799 Initial (0.00105s) stopped
T12 >> 1462318130.92538190 Get density matrix (1869.21294s) started
T12 << 1462318140.05580091 Get density matrix (1878.34336s) stopped
T12 >> 1462318140.05584598 Potential (282.47742s) started
T12 << 1462318146.18153906 Potential (288.60312s) stopped
T12 >> 1462318146.18159294 Get density matrix (1878.34339s) started
T12 << 1462318177.38175011 Get density matrix (1909.54355s) stopped
T12 >> 1462318177.38181305 Prepare TCI loop (99.32182s) started
T12 >> 1462318177.38234591 Get neighbors (89.37346s) started
T12 << 1462318179.30340290 Get neighbors (91.29452s) stopped
T12 >> 1462318179.30381393 broadcast dH (9.89499s) started
T12 << 1462318179.63261604 broadcast dH (10.22379s) stopped
T12 << 1462318179.63268399 Prepare TCI loop (101.57269s) stopped
T12 >> 1462318179.63270497 Not so complicated loop (5.47803s) started
T12 << 1462318179.74882698 Not so complicated loop (5.59415s) stopped
T12 >> 1462318179.86341596 Complicated loop (859.67942s) started
T12 << 1462318199.10303807 Complicated loop (878.91904s) stopped
T12 >> 1462318199.10500193 Wait for sum (449.19178s) started
T12 << 1462318209.22265410 Wait for sum (459.30944s) stopped
T12 << 1462318209.22268891 LCAO forces (3649.56044s) stopped
T12 << 1462318210.06327510 Force calculation (3689.58533s) stopped
T12 >> 1462318210.08109188 Initialization (5991.28715s) started
T12 << 1462318210.08126593 Initialization (5991.28732s) stopped
T12 >> 1462318210.08148789 Initialization (5991.28734s) started
T12 << 1462318210.08162689 Initialization (5991.28748s) stopped
T12 >> 1462318210.08176708 Initialization (5991.28749s) started
T12 << 1462318210.08190799 Initialization (5991.28764s) stopped
T12 >> 1462318230.41207790 Initialization (5991.28766s) started
T12 >> 1462318230.47913003 Basic WFS set positions (4.14106s) started
T12 >> 1462318230.47915506 Redistribute (0.01369s) started
T12 << 1462318230.47928810 Redistribute (0.01382s) stopped
T12 << 1462318230.56914902 Basic WFS set positions (4.23108s) stopped
T12 >> 1462318230.56917310 Basis functions set positions (86.18057s) started
T12 << 1462318232.49227691 Basis functions set positions (88.10368s) stopped
T12 >> 1462318232.49288607 TCI: Calculate S, T, P (717.72154s) started
T12 << 1462318248.32173991 TCI: Calculate S, T, P (733.55039s) stopped
T12 >> 1462318248.32179904 blocked summation (1106.07696s) started
T12 << 1462318274.47114706 blocked summation (1132.22631s) stopped
T12 >> 1462318274.48062110 Scalapack redistribute (421.77138s) started
T12 << 1462318287.87877297 Scalapack redistribute (435.16953s) stopped
T12 >> 1462318287.87979794 blocked summation (1132.22634s) started
T12 << 1462318288.92285395 blocked summation (1133.26940s) stopped
T12 >> 1462318288.93229103 Scalapack redistribute (435.16960s) started
T12 << 1462318289.18642306 Scalapack redistribute (435.42373s) stopped
T12 >> 1462318289.18845701 Redistribute (0.10514s) started
T12 << 1462318289.18897104 Redistribute (0.10565s) stopped
T12 >> 1462318290.93389201 Redistribute (0.10567s) started
T12 << 1462318290.93433189 Redistribute (0.10611s) stopped
T12 >> 1462318290.94896412 LCAO WFS Initialize (3562.39293s) started
T12 >> 1462318290.94900107 Density initialize from wavefunctions (673.90299s) started
T12 >> 1462318290.95512295 Calculate density matrix (466.85649s) started
T12 << 1462318300.82806802 Calculate density matrix (476.72943s) stopped
T12 >> 1462318300.82811689 Construct density (35.38639s) started
T12 << 1462318301.59776807 Construct density (36.15604s) stopped
T12 >> 1462318301.61279702 Symmetrize density (0.00386s) started
T12 << 1462318301.61286712 Symmetrize density (0.00393s) stopped
T12 << 1462318305.32677293 Density initialize from wavefunctions (688.28076s) stopped
T12 >> 1462318305.32701707 Hamiltonian (2887.56164s) started
T12 >> 1462318305.32703495 vbar (1.32937s) started
T12 << 1462318305.35830307 vbar (1.36064s) stopped
T12 >> 1462318305.35846996 XC 3D grid (1369.32653s) started
T12 >> 1462318305.82997894 van der Waals (1322.89126s) started
T12 >> 1462318305.93960595 semilocal (278.05988s) started
T12 << 1462318311.74571395 semilocal (283.86599s) stopped
T12 >> 1462318311.82672191 redistribute (152.80824s) started
T12 << 1462318312.79643512 redistribute (153.77795s) stopped
T12 >> 1462318312.79648709 libvdwxc nonlocal (882.82103s) started
T12 << 1462318330.80388188 libvdwxc nonlocal (900.82842s) stopped
T12 >> 1462318330.80394793 redistribute (153.77798s) started
T12 << 1462318332.53737307 redistribute (155.51141s) stopped
T12 << 1462318332.53840089 van der Waals (1349.59968s) stopped
T12 << 1462318332.99919295 XC 3D grid (1396.96725s) stopped
T12 >> 1462318332.99925900 Poisson (699.36158s) started
T12 << 1462318347.35941410 Poisson (713.72173s) stopped
T12 >> 1462318347.35954309 Hartree integrate/restrict (17.83868s) started
T12 << 1462318347.40588093 Hartree integrate/restrict (17.88502s) stopped
T12 >> 1462318347.40598607 Hartree integrate/restrict (17.88509s) started
T12 << 1462318347.72013807 Hartree integrate/restrict (18.19925s) stopped
T12 >> 1462318347.72024202 Atomic (113.70846s) started
T12 >> 1462318347.72241306 XC Correction (0.00178s) started
T12 << 1462318347.72242808 XC Correction (0.00180s) stopped
T12 << 1462318350.09925795 Atomic (116.08747s) stopped
T12 >> 1462318350.09942889 Communicate (685.95183s) started
T12 << 1462318367.86299300 Communicate (703.71539s) stopped
T12 << 1462318367.86302996 Hamiltonian (2950.09765s) stopped
T12 << 1462318367.86304402 LCAO WFS Initialize (3639.30701s) stopped
T12 << 1462318367.87519598 Initialization (6128.75077s) stopped
T12 >> 1462318367.90117598 SCF-cycle (80292.69353s) started
T12 >> 1462318367.90121102 LCAO eigensolver (40330.63284s) started
T12 >> 1462318367.90122390 Potential matrix (603.77183s) started
T12 << 1462318368.87336898 Potential matrix (604.74398s) stopped
T12 >> 1462318368.87344289 DistributedAtomicCorrection (250.68382s) started
T12 << 1462318369.31005096 DistributedAtomicCorrection (251.12043s) stopped
T12 >> 1462318369.31009889 Distribute overlap matrix (4619.08667s) started
T12 >> 1462318369.31013703 blocked summation (2578.25779s) started
T12 << 1462318373.74995208 blocked summation (2582.69760s) stopped
T12 >> 1462318373.76014709 Scalapack redistribute (2034.72359s) started
T12 << 1462318377.32222605 Scalapack redistribute (2038.28566s) stopped
T12 << 1462318377.32229996 Distribute overlap matrix (4627.09888s) stopped
T12 >> 1462318377.32656789 Blacs Orbital Layouts (33755.54664s) started
T12 >> 1462318377.33529997 General diagonalize (33619.86212s) started
T12 << 1462318432.93109393 General diagonalize (33675.45791s) stopped
T12 >> 1462318432.93113708 Redistribute coefs (5.11742s) started
T12 << 1462318432.93886709 Redistribute coefs (5.12515s) stopped
T12 >> 1462318432.93893600 Send coefs to domains (124.88979s) started
T12 << 1462318433.17333698 Send coefs to domains (125.12419s) stopped
T12 << 1462318433.17372894 Blacs Orbital Layouts (33811.39380s) stopped
T12 >> 1462318433.17375708 Calculate projections (1098.49452s) started
T12 << 1462318434.93818307 Calculate projections (1100.25894s) stopped
T12 << 1462318434.93856907 LCAO eigensolver (40397.67020s) stopped
T12 >> 1462318438.06943488 Density (9540.59789s) started
T12 >> 1462318438.06944990 Pseudo density (7366.59715s) started
T12 >> 1462318438.07208705 Calculate density matrix (6918.77016s) started
T12 << 1462318449.82726312 Calculate density matrix (6930.52534s) stopped
T12 >> 1462318449.82731295 Construct density (436.13367s) started
T12 << 1462318450.59881091 Construct density (436.90517s) stopped
T12 >> 1462318450.61311007 Symmetrize density (0.04938s) started
T12 << 1462318450.61317801 Symmetrize density (0.04945s) stopped
T12 << 1462318450.61521912 Pseudo density (7379.14292s) stopped
T12 >> 1462318450.61527896 Atomic density matrices (1917.71454s) started
T12 << 1462318454.06675100 Atomic density matrices (1921.16601s) stopped
T12 >> 1462318454.06678295 Multipole moments (6.91543s) started
T12 << 1462318454.08098006 Multipole moments (6.92963s) stopped
T12 >> 1462318454.08100390 Normalize (3.93133s) started
T12 << 1462318454.08755302 Normalize (3.93788s) stopped
T12 >> 1462318454.08764005 Mix (245.39388s) started
T12 << 1462318454.41610003 Mix (245.72234s) stopped
T12 << 1462318454.41616511 Density (9556.94462s) stopped
T12 >> 1462318454.41619110 Hamiltonian (28434.95086s) started
T12 >> 1462318454.41620588 vbar (15.50262s) started
T12 << 1462318454.43987799 vbar (15.52629s) stopped
T12 >> 1462318454.43997502 XC 3D grid (16415.91751s) started
T12 >> 1462318454.98259401 van der Waals (15855.69061s) started
T12 >> 1462318455.09046102 semilocal (3348.70211s) started
T12 << 1462318460.83125806 semilocal (3354.44291s) stopped
T12 >> 1462318460.91458797 redistribute (1708.01442s) started
T12 << 1462318461.94801211 redistribute (1709.04784s) stopped
T12 >> 1462318461.94808006 libvdwxc nonlocal (10688.38433s) started
T12 << 1462318480.66885495 libvdwxc nonlocal (10707.10510s) stopped
T12 >> 1462318480.66892004 redistribute (1709.04790s) started
T12 << 1462318482.34681392 redistribute (1710.72579s) stopped
T12 << 1462318482.34801006 van der Waals (15883.05602s) stopped
T12 << 1462318482.81253409 XC 3D grid (16444.29007s) stopped
T12 >> 1462318482.81257606 Poisson (3446.38847s) started
T12 << 1462318488.64825106 Poisson (3452.22415s) stopped
T12 >> 1462318488.64830995 Hartree integrate/restrict (215.51630s) started
T12 << 1462318488.69783711 Hartree integrate/restrict (215.56583s) stopped
T12 >> 1462318488.69792700 Hartree integrate/restrict (215.56589s) started
T12 << 1462318489.03501010 Hartree integrate/restrict (215.90298s) stopped
T12 >> 1462318489.03509688 Atomic (1386.73737s) started
T12 >> 1462318489.03706789 XC Correction (0.01934s) started
T12 << 1462318489.03708506 XC Correction (0.01936s) stopped
T12 << 1462318491.43057895 Atomic (1389.13285s) stopped
T12 >> 1462318491.43075490 Communicate (6954.65832s) started
T12 << 1462318509.22195411 Communicate (6972.44952s) stopped
T12 << 1462318509.22198892 Hamiltonian (28489.75665s) stopped
T12 >> 1462318509.22201395 LCAO eigensolver (40397.67022s) started
T12 >> 1462318509.22202706 Potential matrix (604.74402s) started
T12 << 1462318510.18675709 Potential matrix (605.70875s) stopped
T12 >> 1462318510.18684793 DistributedAtomicCorrection (251.12047s) started
T12 << 1462318510.62758207 DistributedAtomicCorrection (251.56120s) stopped
T12 >> 1462318510.62762904 Distribute overlap matrix (4627.09889s) started
T12 >> 1462318510.62766600 blocked summation (2582.69763s) started
T12 << 1462318515.05487204 blocked summation (2587.12484s) stopped
T12 >> 1462318515.06518197 Scalapack redistribute (2038.28570s) started
T12 << 1462318518.81031203 Scalapack redistribute (2042.03083s) stopped
T12 << 1462318518.81039000 Distribute overlap matrix (4635.28165s) stopped
T12 >> 1462318518.81472492 Blacs Orbital Layouts (33811.39382s) started
T12 >> 1462318518.82374191 General diagonalize (33675.45795s) started
T12 << 1462318572.36948991 General diagonalize (33729.00370s) stopped
T12 >> 1462318572.36955905 Redistribute coefs (5.12521s) started
T12 << 1462318572.37842202 Redistribute coefs (5.13407s) stopped
T12 >> 1462318572.37846494 Send coefs to domains (125.12423s) started
T12 << 1462318572.85879207 Send coefs to domains (125.60455s) stopped
T12 << 1462318572.85922408 Blacs Orbital Layouts (33865.43832s) stopped
T12 >> 1462318572.85925293 Calculate projections (1100.25899s) started
T12 << 1462318574.62452197 Calculate projections (1102.02426s) stopped
T12 << 1462318574.62490296 LCAO eigensolver (40463.07311s) stopped
T12 >> 1462318577.75567198 Density (9556.94464s) started
T12 >> 1462318577.75568795 Pseudo density (7379.14297s) started
T12 >> 1462318577.75835490 Calculate density matrix (6930.52537s) started
T12 << 1462318589.53782392 Calculate density matrix (6942.30484s) stopped
T12 >> 1462318589.53787303 Construct density (436.90523s) started
T12 << 1462318590.30949712 Construct density (437.67685s) stopped
T12 >> 1462318590.32428288 Symmetrize density (0.04947s) started
T12 << 1462318590.32435107 Symmetrize density (0.04954s) stopped
T12 << 1462318590.32640791 Pseudo density (7391.71369s) stopped
T12 >> 1462318590.32646990 Atomic density matrices (1921.16604s) started
T12 << 1462318593.81567597 Atomic density matrices (1924.65524s) stopped
T12 >> 1462318593.81570697 Multipole moments (6.92964s) started
T12 << 1462318593.83064604 Multipole moments (6.94458s) stopped
T12 >> 1462318593.83067012 Normalize (3.93795s) started
T12 << 1462318593.83691812 Normalize (3.94420s) stopped
T12 >> 1462318593.83700991 Mix (245.72240s) started
T12 << 1462318594.19352603 Mix (246.07892s) stopped
T12 << 1462318594.19358397 Density (9573.38255s) stopped
T12 >> 1462318594.19361091 Hamiltonian (28489.75667s) started
T12 >> 1462318594.19362497 vbar (15.52635s) started
T12 << 1462318594.21955109 vbar (15.55228s) stopped
T12 >> 1462318594.21962309 XC 3D grid (16444.29010s) started
T12 >> 1462318594.73065090 van der Waals (15883.05604s) started
T12 >> 1462318594.83950496 semilocal (3354.44301s) started
T12 << 1462318600.62844396 semilocal (3360.23195s) stopped
T12 >> 1462318600.71012998 redistribute (1710.72585s) started
T12 << 1462318601.73417497 redistribute (1711.74989s) stopped
T12 >> 1462318601.73424196 libvdwxc nonlocal (10707.10515s) started
T12 << 1462318620.35262704 libvdwxc nonlocal (10725.72354s) stopped
T12 >> 1462318620.35269094 redistribute (1711.74995s) started
T12 << 1462318622.10300493 redistribute (1713.50026s) stopped
T12 << 1462318622.10414696 van der Waals (15910.42954s) stopped
T12 << 1462318622.57267189 XC 3D grid (16472.64315s) stopped
T12 >> 1462318622.57271504 Poisson (3452.22419s) started
T12 << 1462318635.88859892 Poisson (3465.54008s) stopped
T12 >> 1462318635.88866591 Hartree integrate/restrict (215.90301s) started
T12 << 1462318635.94054198 Hartree integrate/restrict (215.95489s) stopped
T12 >> 1462318635.94058704 Hartree integrate/restrict (215.95492s) started
T12 << 1462318636.31968689 Hartree integrate/restrict (216.33402s) stopped
T12 >> 1462318636.31976104 Atomic (1389.13287s) started
T12 >> 1462318636.32163596 XC Correction (0.01937s) started
T12 << 1462318636.32166791 XC Correction (0.01940s) stopped
T12 << 1462318638.73143005 Atomic (1391.54454s) stopped
T12 >> 1462318638.73160195 Communicate (6972.44954s) started
T12 << 1462318656.55576706 Communicate (6990.27371s) stopped
T12 << 1462318656.55580497 Hamiltonian (28552.11886s) stopped
T12 >> 1462318656.55583000 LCAO eigensolver (40463.07313s) started
T12 >> 1462318656.55584311 Potential matrix (605.70881s) started
T12 << 1462318657.52596903 Potential matrix (606.67893s) stopped
T12 >> 1462318657.52604294 DistributedAtomicCorrection (251.56124s) started
T12 << 1462318657.96952391 DistributedAtomicCorrection (252.00472s) stopped
T12 >> 1462318657.96957111 Distribute overlap matrix (4635.28166s) started
T12 >> 1462318657.96960998 blocked summation (2587.12487s) started
T12 << 1462318662.48047996 blocked summation (2591.63574s) stopped
T12 >> 1462318662.49025702 Scalapack redistribute (2042.03086s) started
T12 << 1462318666.08159399 Scalapack redistribute (2045.62220s) stopped
T12 << 1462318666.08167410 Distribute overlap matrix (4643.39377s) stopped
T12 >> 1462318666.08604598 Blacs Orbital Layouts (33865.43834s) started
T12 >> 1462318666.09510207 General diagonalize (33729.00375s) started
T12 << 1462318719.48852706 General diagonalize (33782.39718s) stopped
T12 >> 1462318719.48858094 Redistribute coefs (5.13410s) started
T12 << 1462318719.49765110 Redistribute coefs (5.14317s) stopped
T12 >> 1462318719.49769902 Send coefs to domains (125.60459s) started
T12 << 1462318719.60858297 Send coefs to domains (125.71547s) stopped
T12 << 1462318719.60918999 Blacs Orbital Layouts (33918.96148s) stopped
T12 >> 1462318719.60922098 Calculate projections (1102.02431s) started
T12 << 1462318721.38892794 Calculate projections (1103.80402s) stopped
T12 << 1462318721.38916802 LCAO eigensolver (40527.90646s) stopped
T12 >> 1462318724.49315190 Density (9573.38256s) started
T12 >> 1462318724.49316907 Pseudo density (7391.71374s) started
T12 >> 1462318724.49658298 Calculate density matrix (6942.30487s) started
T12 << 1462318736.33138704 Calculate density matrix (6954.13968s) stopped
T12 >> 1462318736.33144212 Construct density (437.67691s) started
T12 << 1462318737.10275006 Construct density (438.44821s) stopped
T12 >> 1462318737.11908102 Symmetrize density (0.04956s) started
T12 << 1462318737.11915898 Symmetrize density (0.04963s) stopped
T12 << 1462318737.12163997 Pseudo density (7404.34221s) stopped
T12 >> 1462318737.12170911 Atomic density matrices (1924.65527s) started
T12 << 1462318740.53868389 Atomic density matrices (1928.07224s) stopped
T12 >> 1462318740.53871989 Multipole moments (6.94460s) started
T12 << 1462318740.55359507 Multipole moments (6.95947s) stopped
T12 >> 1462318740.55361891 Normalize (3.94427s) started
T12 << 1462318740.56129789 Normalize (3.95195s) stopped
T12 >> 1462318740.56134510 Mix (246.07897s) started
T12 << 1462318740.98278499 Mix (246.50041s) stopped
T12 << 1462318740.98289490 Density (9589.87231s) stopped
T12 >> 1462318740.98292708 Hamiltonian (28552.11887s) started
T12 >> 1462318740.98294401 vbar (15.55231s) started
T12 << 1462318741.00492311 vbar (15.57429s) stopped
T12 >> 1462318741.00498700 XC 3D grid (16472.64319s) started
T12 >> 1462318741.51479292 van der Waals (15910.42956s) started
T12 >> 1462318741.62327194 semilocal (3360.23202s) started
T12 << 1462318747.38726997 semilocal (3365.99602s) stopped
T12 >> 1462318747.46134710 redistribute (1713.50032s) started
T12 << 1462318748.47191501 redistribute (1714.51088s) stopped
T12 >> 1462318748.47195911 libvdwxc nonlocal (10725.72358s) started
T12 << 1462318767.04933906 libvdwxc nonlocal (10744.30096s) stopped
T12 >> 1462318767.04940295 redistribute (1714.51092s) started
T12 << 1462318768.77363896 redistribute (1716.23515s) stopped
T12 << 1462318768.77448106 van der Waals (15937.68925s) stopped
T12 << 1462318769.24048209 XC 3D grid (16500.87868s) stopped
T12 >> 1462318769.24053693 Poisson (3465.54012s) started
T12 << 1462318776.67661405 Poisson (3472.97620s) stopped
T12 >> 1462318776.67674708 Hartree integrate/restrict (216.33405s) started
T12 << 1462318776.72695398 Hartree integrate/restrict (216.38426s) stopped
T12 >> 1462318776.72706509 Hartree integrate/restrict (216.38433s) started
T12 << 1462318777.04169989 Hartree integrate/restrict (216.69897s) stopped
T12 >> 1462318777.04178309 Atomic (1391.54456s) started
T12 >> 1462318777.04351997 XC Correction (0.01941s) started
T12 << 1462318777.04353809 XC Correction (0.01943s) stopped
T12 << 1462318779.45733809 Atomic (1393.96012s) stopped
T12 >> 1462318779.45750690 Communicate (6990.27373s) started
T12 << 1462318797.11138511 Communicate (7007.92761s) stopped
T12 << 1462318797.11142302 Hamiltonian (28608.24737s) stopped
T12 >> 1462318797.11144900 LCAO eigensolver (40527.90648s) started
T12 >> 1462318797.11146212 Potential matrix (606.67898s) started
T12 << 1462318798.07891107 Potential matrix (607.64643s) stopped
T12 >> 1462318798.07898307 DistributedAtomicCorrection (252.00476s) started
T12 << 1462318798.51590395 DistributedAtomicCorrection (252.44168s) stopped
T12 >> 1462318798.51595092 Distribute overlap matrix (4643.39378s) started
T12 >> 1462318798.51599002 blocked summation (2591.63577s) started
T12 << 1462318803.00435400 blocked summation (2596.12414s) stopped
T12 >> 1462318803.01330209 Scalapack redistribute (2045.62223s) started
T12 << 1462318806.70744991 Scalapack redistribute (2049.31638s) stopped
T12 << 1462318806.70756412 Distribute overlap matrix (4651.58539s) stopped
T12 >> 1462318806.71196508 Blacs Orbital Layouts (33918.96150s) started
T12 >> 1462318806.72057390 General diagonalize (33782.39722s) started
T12 << 1462318859.73937011 General diagonalize (33835.41602s) stopped
T12 >> 1462318859.73941588 Redistribute coefs (5.14321s) started
T12 << 1462318859.74711490 Redistribute coefs (5.15091s) stopped
T12 >> 1462318859.74718189 Send coefs to domains (125.71551s) started
T12 << 1462318859.85747194 Send coefs to domains (125.82580s) stopped
T12 << 1462318859.85789108 Blacs Orbital Layouts (33972.10743s) stopped
T12 >> 1462318859.85791802 Calculate projections (1103.80408s) started
T12 << 1462318861.62736797 Calculate projections (1105.57353s) stopped
T12 << 1462318861.62755489 LCAO eigensolver (40592.42259s) stopped
T12 >> 1462318864.74228096 Density (9589.87232s) started
T12 >> 1462318864.74229598 Pseudo density (7404.34226s) started
T12 >> 1462318864.74532604 Calculate density matrix (6954.13971s) started
T12 << 1462318876.56579709 Calculate density matrix (6965.96018s) stopped
T12 >> 1462318876.56584692 Construct density (438.44827s) started
T12 << 1462318877.33696008 Construct density (439.21939s) stopped
T12 >> 1462318877.35115600 Symmetrize density (0.04965s) started
T12 << 1462318877.35122108 Symmetrize density (0.04972s) stopped
T12 << 1462318877.35329700 Pseudo density (7416.95327s) stopped
T12 >> 1462318877.35335398 Atomic density matrices (1928.07227s) started
T12 << 1462318880.79426193 Atomic density matrices (1931.51318s) stopped
T12 >> 1462318880.79429412 Multipole moments (6.95949s) started
T12 << 1462318880.80923200 Multipole moments (6.97443s) stopped
T12 >> 1462318880.80925488 Normalize (3.95198s) started
T12 << 1462318880.81543899 Normalize (3.95817s) stopped
T12 >> 1462318880.81549311 Mix (246.50052s) started
T12 << 1462318881.21316004 Mix (246.89819s) stopped
T12 << 1462318881.21321511 Density (9606.34326s) stopped
T12 >> 1462318881.21324110 Hamiltonian (28608.24738s) started
T12 >> 1462318881.21325588 vbar (15.57433s) started
T12 << 1462318881.23600292 vbar (15.59707s) stopped
T12 >> 1462318881.23612404 XC 3D grid (16500.87873s) started
T12 >> 1462318881.76358294 van der Waals (15937.68927s) started
T12 >> 1462318881.87378001 semilocal (3365.99610s) started
T12 << 1462318887.73119402 semilocal (3371.85351s) stopped
T12 >> 1462318887.80457711 redistribute (1716.23521s) started
T12 << 1462318888.75167203 redistribute (1717.18230s) stopped
T12 >> 1462318888.75173712 libvdwxc nonlocal (10744.30101s) started
T12 << 1462318907.57229710 libvdwxc nonlocal (10763.12157s) stopped
T12 >> 1462318907.57235694 redistribute (1717.18235s) started
T12 << 1462318909.26323891 redistribute (1718.87324s) stopped
T12 << 1462318909.26409411 van der Waals (15965.18979s) stopped
T12 << 1462318909.73111391 XC 3D grid (16529.37372s) stopped
T12 >> 1462318909.73117495 Poisson (3472.97631s) started
T12 << 1462318915.55485702 Poisson (3478.79999s) stopped
T12 >> 1462318915.55500603 Hartree integrate/restrict (216.69901s) started
T12 << 1462318915.60477591 Hartree integrate/restrict (216.74878s) stopped
T12 >> 1462318915.60487509 Hartree integrate/restrict (216.74885s) started
T12 << 1462318915.92427707 Hartree integrate/restrict (217.06825s) stopped
T12 >> 1462318915.92438006 Atomic (1393.96014s) started
T12 >> 1462318915.92625594 XC Correction (0.01944s) started
T12 << 1462318915.92627406 XC Correction (0.01946s) stopped
T12 << 1462318918.33563089 Atomic (1396.37139s) stopped
T12 >> 1462318918.33581090 Communicate (7007.92763s) started
T12 << 1462318935.29108191 Communicate (7024.88290s) stopped
T12 << 1462318935.29112101 Hamiltonian (28662.32526s) stopped
T12 >> 1462318935.29114795 LCAO eigensolver (40592.42261s) started
T12 >> 1462318935.29116106 Potential matrix (607.64647s) started
T12 << 1462318936.25973892 Potential matrix (608.61505s) stopped
T12 >> 1462318936.25983000 DistributedAtomicCorrection (252.44172s) started
T12 << 1462318936.69852901 DistributedAtomicCorrection (252.88042s) stopped
T12 >> 1462318936.69857597 Distribute overlap matrix (4651.58540s) started
T12 >> 1462318936.69861293 blocked summation (2596.12417s) started
T12 << 1462318941.28398299 blocked summation (2600.70954s) stopped
T12 >> 1462318941.29309607 Scalapack redistribute (2049.31645s) started
T12 << 1462318944.89213610 Scalapack redistribute (2052.91549s) stopped
T12 << 1462318944.89223099 Distribute overlap matrix (4659.77906s) stopped
T12 >> 1462318944.89609599 Blacs Orbital Layouts (33972.10745s) started
T12 >> 1462318944.90499592 General diagonalize (33835.41605s) started
T12 << 1462318999.78684711 General diagonalize (33890.29790s) stopped
T12 >> 1462318999.78690004 Redistribute coefs (5.15096s) started
T12 << 1462318999.79575491 Redistribute coefs (5.15982s) stopped
T12 >> 1462318999.79580402 Send coefs to domains (125.82583s) started
T12 << 1462319000.06649089 Send coefs to domains (126.09652s) stopped
T12 << 1462319000.06705189 Blacs Orbital Layouts (34027.27840s) stopped
T12 >> 1462319000.06708407 Calculate projections (1105.57358s) started
T12 << 1462319001.84768510 Calculate projections (1107.35418s) stopped
T12 << 1462319001.84793210 LCAO eigensolver (40658.97939s) stopped
T12 >> 1462319004.96313906 Density (9606.34327s) started
T12 >> 1462319004.96315408 Pseudo density (7416.95331s) started
T12 >> 1462319004.96632504 Calculate density matrix (6965.96022s) started
T12 << 1462319016.76799703 Calculate density matrix (6977.76189s) stopped
T12 >> 1462319016.76805210 Construct density (439.21944s) started
T12 << 1462319017.54041791 Construct density (439.99180s) stopped
T12 >> 1462319017.55689192 Symmetrize density (0.04973s) started
T12 << 1462319017.55695891 Symmetrize density (0.04980s) stopped
T12 << 1462319017.55942011 Pseudo density (7429.54958s) stopped
T12 >> 1462319017.55948901 Atomic density matrices (1931.51321s) started
T12 << 1462319020.93253398 Atomic density matrices (1934.88625s) stopped
T12 >> 1462319020.93257308 Multipole moments (6.97444s) started
T12 << 1462319020.94690204 Multipole moments (6.98877s) stopped
T12 >> 1462319020.94693208 Normalize (3.95821s) started
T12 << 1462319020.95361996 Normalize (3.96490s) stopped
T12 >> 1462319020.95366812 Mix (246.89824s) started
T12 << 1462319021.42996693 Mix (247.37454s) stopped
T12 << 1462319021.43002892 Density (9622.81016s) stopped
T12 >> 1462319021.43005800 Hamiltonian (28662.32528s) started
T12 >> 1462319021.43007493 vbar (15.59715s) started
T12 << 1462319021.45597410 vbar (15.62305s) stopped
T12 >> 1462319021.45611405 XC 3D grid (16529.37377s) started
T12 >> 1462319021.91399503 van der Waals (15965.18981s) started
T12 >> 1462319022.02702308 semilocal (3371.85360s) started
T12 << 1462319027.78961492 semilocal (3377.61619s) stopped
T12 >> 1462319027.86237192 redistribute (1718.87329s) started
T12 << 1462319028.89895105 redistribute (1719.90987s) stopped
T12 >> 1462319028.89904189 libvdwxc nonlocal (10763.12162s) started
T12 << 1462319046.83215308 libvdwxc nonlocal (10781.05473s) stopped
T12 >> 1462319046.83223891 redistribute (1719.90994s) started
T12 << 1462319048.99420810 redistribute (1722.07191s) stopped
T12 << 1462319048.99534893 van der Waals (15992.27117s) stopped
T12 << 1462319049.46068311 XC 3D grid (16557.37834s) stopped
T12 >> 1462319049.46073198 Poisson (3478.80012s) started
T12 << 1462319055.23769593 Poisson (3484.57708s) stopped
T12 >> 1462319055.23778796 Hartree integrate/restrict (217.06831s) started
T12 << 1462319055.27553606 Hartree integrate/restrict (217.10605s) stopped
T12 >> 1462319055.27561998 Hartree integrate/restrict (217.10611s) started
T12 << 1462319055.62623000 Hartree integrate/restrict (217.45672s) stopped
T12 >> 1462319055.62634206 Atomic (1396.37142s) started
T12 >> 1462319055.62821293 XC Correction (0.01947s) started
T12 << 1462319055.62822795 XC Correction (0.01948s) stopped
T12 << 1462319058.05041409 Atomic (1398.79549s) stopped
T12 >> 1462319058.05060601 Communicate (7024.88293s) started
T12 << 1462319074.24318004 Communicate (7041.07550s) stopped
T12 << 1462319074.24321699 Hamiltonian (28715.13843s) stopped
T12 >> 1462319074.24324107 LCAO eigensolver (40658.97941s) started
T12 >> 1462319074.24325395 Potential matrix (608.61510s) started
T12 << 1462319075.20873809 Potential matrix (609.58058s) stopped
T12 >> 1462319075.20883703 DistributedAtomicCorrection (252.88046s) started
T12 << 1462319075.64770794 DistributedAtomicCorrection (253.31933s) stopped
T12 >> 1462319075.64778209 Distribute overlap matrix (4659.77907s) started
T12 >> 1462319075.64780688 blocked summation (2600.70957s) started
T12 << 1462319080.06918907 blocked summation (2605.13095s) stopped
T12 >> 1462319080.08015704 Scalapack redistribute (2052.91554s) started
T12 << 1462319083.80763888 Scalapack redistribute (2056.64302s) stopped
T12 << 1462319083.80771899 Distribute overlap matrix (4667.93901s) stopped
T12 >> 1462319083.81297302 Blacs Orbital Layouts (34027.27842s) started
T12 >> 1462319083.82197595 General diagonalize (33890.29795s) started
T12 << 1462319139.19557405 General diagonalize (33945.67155s) stopped
T12 >> 1462319139.19562602 Redistribute coefs (5.15986s) started
T12 << 1462319139.20416093 Redistribute coefs (5.16839s) stopped
T12 >> 1462319139.20420694 Send coefs to domains (126.09656s) started
T12 << 1462319139.72117710 Send coefs to domains (126.61353s) stopped
T12 << 1462319139.72166204 Blacs Orbital Layouts (34083.18711s) stopped
T12 >> 1462319139.72169709 Calculate projections (1107.35424s) started
T12 << 1462319141.50179005 Calculate projections (1109.13433s) stopped
T12 << 1462319141.50217891 LCAO eigensolver (40726.23835s) stopped
T12 >> 1462319144.61726308 Density (9622.81017s) started
T12 >> 1462319144.61728001 Pseudo density (7429.54963s) started
T12 >> 1462319144.62028289 Calculate density matrix (6977.76192s) started
T12 << 1462319156.37798309 Calculate density matrix (6989.51962s) stopped
T12 >> 1462319156.37803888 Construct density (439.99190s) started
T12 << 1462319157.14964390 Construct density (440.76350s) stopped
T12 >> 1462319157.16568708 Symmetrize density (0.04982s) started
T12 << 1462319157.16575289 Symmetrize density (0.04989s) stopped
T12 << 1462319157.16821504 Pseudo density (7442.10057s) stopped
T12 >> 1462319157.16828299 Atomic density matrices (1934.88628s) started
T12 << 1462319160.65640211 Atomic density matrices (1938.37440s) stopped
T12 >> 1462319160.65644002 Multipole moments (6.98879s) started
T12 << 1462319160.67059803 Multipole moments (7.00294s) stopped
T12 >> 1462319160.67062998 Normalize (3.96493s) started
T12 << 1462319160.67727399 Normalize (3.97157s) stopped
T12 >> 1462319160.67731690 Mix (247.37460s) started
T12 << 1462319161.09155798 Mix (247.78884s) stopped
T12 << 1462319161.09160590 Density (9639.28452s) stopped
T12 >> 1462319161.09163094 Hamiltonian (28715.13845s) started
T12 >> 1462319161.09164500 vbar (15.62312s) started
T12 << 1462319161.11852288 vbar (15.65000s) stopped
T12 >> 1462319161.11861992 XC 3D grid (16557.37837s) started
T12 >> 1462319161.62634206 van der Waals (15992.27119s) started
T12 >> 1462319161.73502588 semilocal (3377.61630s) started
T12 << 1462319167.57715702 semilocal (3383.45843s) stopped
T12 >> 1462319167.66117597 redistribute (1722.07196s) started
T12 << 1462319168.62910295 redistribute (1723.03989s) stopped
T12 >> 1462319168.62916803 libvdwxc nonlocal (10781.05479s) started
T12 << 1462319186.89346099 libvdwxc nonlocal (10799.31909s) stopped
T12 >> 1462319186.89350295 redistribute (1723.03994s) started
T12 << 1462319188.62894607 redistribute (1724.77539s) stopped
T12 << 1462319188.62994409 van der Waals (16019.27480s) stopped
T12 << 1462319189.09454489 XC 3D grid (16585.35430s) stopped
T12 >> 1462319189.09461093 Poisson (3484.57715s) started
T12 << 1462319193.53591800 Poisson (3489.01845s) stopped
T12 >> 1462319193.53605795 Hartree integrate/restrict (217.45678s) started
T12 << 1462319193.58300304 Hartree integrate/restrict (217.50372s) stopped
T12 >> 1462319193.58310509 Hartree integrate/restrict (217.50380s) started
T12 << 1462319193.89978099 Hartree integrate/restrict (217.82047s) stopped
T12 >> 1462319193.89987993 Atomic (1398.79551s) started
T12 >> 1462319193.90167594 XC Correction (0.01949s) started
T12 << 1462319193.90169096 XC Correction (0.01951s) stopped
T12 << 1462319196.31269908 Atomic (1401.20833s) stopped
T12 >> 1462319196.31286597 Communicate (7041.07553s) started
T12 << 1462319212.48223090 Communicate (7057.24489s) stopped
T12 << 1462319212.48227096 Hamiltonian (28766.52909s) stopped
T12 >> 1462319212.48229599 LCAO eigensolver (40726.23837s) started
T12 >> 1462319212.48230910 Potential matrix (609.58064s) started
T12 << 1462319213.45352793 Potential matrix (610.55185s) stopped
T12 >> 1462319213.45359898 DistributedAtomicCorrection (253.31937s) started
T12 << 1462319213.90217304 DistributedAtomicCorrection (253.76794s) stopped
T12 >> 1462319213.90224409 Distribute overlap matrix (4667.93902s) started
T12 >> 1462319213.90226603 blocked summation (2605.13099s) started
T12 << 1462319218.43340993 blocked summation (2609.66213s) stopped
T12 >> 1462319218.44312310 Scalapack redistribute (2056.64306s) started
T12 << 1462319222.07889199 Scalapack redistribute (2060.27883s) stopped
T12 << 1462319222.07899094 Distribute overlap matrix (4676.11577s) stopped
T12 >> 1462319222.08313107 Blacs Orbital Layouts (34083.18713s) started
T12 >> 1462319222.09184790 General diagonalize (33945.67159s) started
T12 << 1462319275.35820007 General diagonalize (33998.93794s) stopped
T12 >> 1462319275.35825300 Redistribute coefs (5.16843s) started
T12 << 1462319275.36699295 Redistribute coefs (5.17717s) stopped
T12 >> 1462319275.36704397 Send coefs to domains (126.61357s) started
T12 << 1462319275.50010490 Send coefs to domains (126.74663s) stopped
T12 << 1462319275.50061893 Blacs Orbital Layouts (34136.60462s) stopped
T12 >> 1462319275.50064898 Calculate projections (1109.13439s) started
T12 << 1462319277.27953005 Calculate projections (1110.91327s) stopped
T12 << 1462319277.28000307 LCAO eigensolver (40791.03608s) stopped
T12 >> 1462319280.39299107 Density (9639.28453s) started
T12 >> 1462319280.39300799 Pseudo density (7442.10062s) started
T12 >> 1462319280.39590907 Calculate density matrix (6989.51966s) started
T12 << 1462319292.70327401 Calculate density matrix (7001.82703s) stopped
T12 >> 1462319292.70333195 Construct density (440.76356s) started
T12 << 1462319293.47479892 Construct density (441.53503s) stopped
T12 >> 1462319293.49107790 Symmetrize density (0.04991s) started
T12 << 1462319293.49114203 Symmetrize density (0.04997s) stopped
T12 << 1462319293.49361300 Pseudo density (7455.20123s) stopped
T12 >> 1462319293.49368095 Atomic density matrices (1938.37443s) started
T12 << 1462319296.89206195 Atomic density matrices (1941.77281s) stopped
T12 >> 1462319296.89210105 Multipole moments (7.00296s) started
T12 << 1462319296.90702105 Multipole moments (7.01788s) stopped
T12 >> 1462319296.90705299 Normalize (3.97161s) started
T12 << 1462319296.91372705 Normalize (3.97828s) stopped
T12 >> 1462319296.91377091 Mix (247.78889s) started
T12 << 1462319297.34373689 Mix (248.21886s) stopped
T12 << 1462319297.34380007 Density (9656.23534s) stopped
T12 >> 1462319297.34383297 Hamiltonian (28766.52910s) started
T12 >> 1462319297.34384894 vbar (15.65005s) started
T12 << 1462319297.37009096 vbar (15.67630s) stopped
T12 >> 1462319297.37025690 XC 3D grid (16585.35435s) started
T12 >> 1462319297.85422993 van der Waals (16019.27483s) started
T12 >> 1462319297.96655607 semilocal (3383.45854s) started
T12 << 1462319303.75362706 semilocal (3389.24561s) stopped
T12 >> 1462319303.82561302 redistribute (1724.77544s) started
T12 << 1462319304.84578896 redistribute (1725.79562s) stopped
T12 >> 1462319304.84584403 libvdwxc nonlocal (10799.31912s) started
T12 << 1462319322.91320395 libvdwxc nonlocal (10817.38648s) stopped
T12 >> 1462319322.91328406 redistribute (1725.79566s) started
T12 << 1462319324.96316910 redistribute (1727.84554s) stopped
T12 << 1462319324.96420789 van der Waals (16046.38480s) stopped
T12 << 1462319325.43218589 XC 3D grid (16613.41628s) stopped
T12 >> 1462319325.43223190 Poisson (3489.01856s) started
T12 << 1462319329.93979406 Poisson (3493.52612s) stopped
T12 >> 1462319329.93986893 Hartree integrate/restrict (217.82053s) started
T12 << 1462319329.97732711 Hartree integrate/restrict (217.85798s) stopped
T12 >> 1462319329.97742295 Hartree integrate/restrict (217.85804s) started
T12 << 1462319330.30354500 Hartree integrate/restrict (218.18417s) stopped
T12 >> 1462319330.30364108 Atomic (1401.20836s) started
T12 >> 1462319330.30554199 XC Correction (0.01952s) started
T12 << 1462319330.30555701 XC Correction (0.01953s) stopped
T12 << 1462319332.71275592 Atomic (1403.61747s) stopped
T12 >> 1462319332.71294188 Communicate (7057.24492s) started
T12 << 1462319348.85106301 Communicate (7073.38304s) stopped
T12 << 1462319348.85110688 Hamiltonian (28818.03637s) stopped
T12 >> 1462319348.85113406 LCAO eigensolver (40791.03610s) started
T12 >> 1462319348.85114789 Potential matrix (610.55190s) started
T12 << 1462319349.82918310 Potential matrix (611.52993s) stopped
T12 >> 1462319349.82926393 DistributedAtomicCorrection (253.76798s) started
T12 << 1462319350.27671599 DistributedAtomicCorrection (254.21544s) stopped
T12 >> 1462319350.27679205 Distribute overlap matrix (4676.11578s) started
T12 >> 1462319350.27681994 blocked summation (2609.66216s) started
T12 << 1462319354.76842499 blocked summation (2614.15377s) stopped
T12 >> 1462319354.77829003 Scalapack redistribute (2060.27889s) started
T12 << 1462319358.39689803 Scalapack redistribute (2063.89750s) stopped
T12 << 1462319358.39702606 Distribute overlap matrix (4684.23602s) stopped
T12 >> 1462319358.40142012 Blacs Orbital Layouts (34136.60464s) started
T12 >> 1462319358.41045189 General diagonalize (33998.93798s) started
T12 << 1462319411.96178794 General diagonalize (34052.48932s) stopped
T12 >> 1462319411.96184492 Redistribute coefs (5.17721s) started
T12 << 1462319411.97050309 Redistribute coefs (5.18587s) stopped
T12 >> 1462319411.97055101 Send coefs to domains (126.74671s) started
T12 << 1462319412.30940509 Send coefs to domains (127.08557s) stopped
T12 << 1462319412.30976796 Blacs Orbital Layouts (34190.51299s) stopped
T12 >> 1462319412.30979705 Calculate projections (1110.91333s) started
T12 << 1462319414.08917594 Calculate projections (1112.69271s) stopped
T12 << 1462319414.08956003 LCAO eigensolver (40856.27452s) stopped
T12 >> 1462319417.21277809 Density (9656.23536s) started
T12 >> 1462319417.21279407 Pseudo density (7455.20128s) started
T12 >> 1462319417.21630001 Calculate density matrix (7001.82707s) started
T12 << 1462319429.23945403 Calculate density matrix (7013.85022s) stopped
T12 >> 1462319429.23951101 Construct density (441.53509s) started
T12 << 1462319430.01128888 Construct density (442.30686s) stopped
T12 >> 1462319430.02772498 Symmetrize density (0.04999s) started
T12 << 1462319430.02779102 Symmetrize density (0.05006s) stopped
T12 << 1462319430.03026104 Pseudo density (7468.01875s) stopped
T12 >> 1462319430.03032899 Atomic density matrices (1941.77283s) started
T12 << 1462319433.48229408 Atomic density matrices (1945.22480s) stopped
T12 >> 1462319433.48233294 Multipole moments (7.01790s) started
T12 << 1462319433.49662590 Multipole moments (7.03219s) stopped
T12 >> 1462319433.49665904 Normalize (3.97831s) started
T12 << 1462319433.50594997 Normalize (3.98760s) stopped
T12 >> 1462319433.50600100 Mix (248.21892s) started
T12 << 1462319434.01746202 Mix (248.73038s) stopped
T12 << 1462319434.01752496 Density (9673.04010s) stopped
T12 >> 1462319434.01755595 Hamiltonian (28818.03639s) started
T12 >> 1462319434.01757097 vbar (15.67639s) started
T12 << 1462319434.04805303 vbar (15.70687s) stopped
T12 >> 1462319434.04824495 XC 3D grid (16613.41632s) started
T12 >> 1462319434.54208493 van der Waals (16046.38483s) started
T12 >> 1462319434.65431309 semilocal (3389.24570s) started
T12 << 1462319440.43122911 semilocal (3395.02262s) stopped
T12 >> 1462319440.50474906 redistribute (1727.84558s) started
T12 << 1462319441.51459599 redistribute (1728.85543s) stopped
T12 >> 1462319441.51464605 libvdwxc nonlocal (10817.38654s) started
T12 << 1462319459.71826196 libvdwxc nonlocal (10835.59015s) stopped
T12 >> 1462319459.71834302 redistribute (1728.85547s) started
T12 << 1462319461.70579195 redistribute (1730.84292s) stopped
T12 << 1462319461.70688510 van der Waals (16073.54963s) stopped
T12 << 1462319462.17677593 XC 3D grid (16641.54485s) stopped
T12 >> 1462319462.17685103 Poisson (3493.52618s) started
T12 << 1462319466.53606796 Poisson (3497.88540s) stopped
T12 >> 1462319466.53616095 Hartree integrate/restrict (218.18421s) started
T12 << 1462319466.57450294 Hartree integrate/restrict (218.22256s) stopped
T12 >> 1462319466.57464194 Hartree integrate/restrict (218.22265s) started
T12 << 1462319466.89752507 Hartree integrate/restrict (218.54553s) stopped
T12 >> 1462319466.89762712 Atomic (1403.61750s) started
T12 >> 1462319466.89947200 XC Correction (0.01954s) started
T12 << 1462319466.89948702 XC Correction (0.01956s) stopped
T12 << 1462319469.30884194 Atomic (1406.02871s) stopped
T12 >> 1462319469.30901599 Communicate (7073.38307s) started
T12 << 1462319485.45274711 Communicate (7089.52680s) stopped
T12 << 1462319485.45279002 Hamiltonian (28869.47162s) stopped
T12 >> 1462319485.45281601 LCAO eigensolver (40856.27454s) started
T12 >> 1462319485.45283008 Potential matrix (611.52998s) started
T12 << 1462319486.41663098 Potential matrix (612.49378s) stopped
T12 >> 1462319486.41671491 DistributedAtomicCorrection (254.21548s) started
T12 << 1462319486.85717702 DistributedAtomicCorrection (254.65594s) stopped
T12 >> 1462319486.85724998 Distribute overlap matrix (4684.23603s) started
T12 >> 1462319486.85727406 blocked summation (2614.15382s) started
T12 << 1462319491.45449090 blocked summation (2618.75104s) stopped
T12 >> 1462319491.46392202 Scalapack redistribute (2063.89757s) started
T12 << 1462319494.98537898 Scalapack redistribute (2067.41903s) stopped
T12 << 1462319494.98546195 Distribute overlap matrix (4692.36424s) stopped
T12 >> 1462319494.99147201 Blacs Orbital Layouts (34190.51301s) started
T12 >> 1462319495.00068498 General diagonalize (34052.48937s) started
T12 << 1462319551.39404893 General diagonalize (34108.88273s) stopped
T12 >> 1462319551.39410210 Redistribute coefs (5.18590s) started
T12 << 1462319551.40316296 Redistribute coefs (5.19496s) stopped
T12 >> 1462319551.40320992 Send coefs to domains (127.08561s) started
T12 << 1462319551.67978001 Send coefs to domains (127.36218s) stopped
T12 << 1462319551.68017793 Blacs Orbital Layouts (34247.20171s) stopped
T12 >> 1462319551.68020797 Calculate projections (1112.69276s) started
T12 << 1462319553.45988607 Calculate projections (1114.47244s) stopped
T12 << 1462319553.46027493 LCAO eigensolver (40924.28200s) stopped
T12 >> 1462319556.57699990 Density (9673.04012s) started
T12 >> 1462319556.57701707 Pseudo density (7468.01880s) started
T12 >> 1462319556.57993007 Calculate density matrix (7013.85026s) started
T12 << 1462319568.33290005 Calculate density matrix (7025.60323s) stopped
T12 >> 1462319568.33295798 Construct density (442.30692s) started
T12 << 1462319569.10509109 Construct density (443.07905s) stopped
T12 >> 1462319569.12154603 Symmetrize density (0.05008s) started
T12 << 1462319569.12162304 Symmetrize density (0.05015s) stopped
T12 << 1462319569.12408590 Pseudo density (7480.56587s) stopped
T12 >> 1462319569.12415504 Atomic density matrices (1945.22483s) started
T12 << 1462319572.56909895 Atomic density matrices (1948.66977s) stopped
T12 >> 1462319572.56913805 Multipole moments (7.03221s) started
T12 << 1462319572.58395290 Multipole moments (7.04702s) stopped
T12 >> 1462319572.58398509 Normalize (3.98764s) started
T12 << 1462319572.59088993 Normalize (3.99454s) stopped
T12 >> 1462319572.59093595 Mix (248.73044s) started
T12 << 1462319573.04994106 Mix (249.18944s) stopped
T12 << 1462319573.05000806 Density (9689.51313s) stopped
T12 >> 1462319573.05003691 Hamiltonian (28869.47164s) started
T12 >> 1462319573.05005193 vbar (15.70697s) started
T12 << 1462319573.07551694 vbar (15.73244s) stopped
T12 >> 1462319573.07563400 XC 3D grid (16641.54492s) started
T12 >> 1462319573.56871390 van der Waals (16073.54966s) started
T12 >> 1462319573.68124700 semilocal (3395.02267s) started
T12 << 1462319579.40859103 semilocal (3400.75001s) stopped
T12 >> 1462319579.48374891 redistribute (1730.84296s) started
T12 << 1462319580.52651906 redistribute (1731.88573s) stopped
T12 >> 1462319580.52657008 libvdwxc nonlocal (10835.59022s) started
T12 << 1462319598.47388291 libvdwxc nonlocal (10853.53753s) stopped
T12 >> 1462319598.47396398 redistribute (1731.88577s) started
T12 << 1462319600.49571490 redistribute (1733.90752s) stopped
T12 << 1462319600.49676895 van der Waals (16100.47771s) stopped
T12 << 1462319600.95990396 XC 3D grid (16669.42919s) stopped
T12 >> 1462319600.95995498 Poisson (3497.88547s) started
T12 << 1462319605.38009310 Poisson (3502.30560s) stopped
T12 >> 1462319605.38018703 Hartree integrate/restrict (218.54558s) started
T12 << 1462319605.41900492 Hartree integrate/restrict (218.58440s) stopped
T12 >> 1462319605.41909909 Hartree integrate/restrict (218.58446s) started
T12 << 1462319605.74471402 Hartree integrate/restrict (218.91007s) stopped
T12 >> 1462319605.74481893 Atomic (1406.02874s) started
T12 >> 1462319605.74671292 XC Correction (0.01957s) started
T12 << 1462319605.74672699 XC Correction (0.01958s) stopped
T12 << 1462319608.15676904 Atomic (1408.44069s) stopped
T12 >> 1462319608.15693998 Communicate (7089.52683s) started
T12 << 1462319624.36999393 Communicate (7105.73988s) stopped
T12 << 1462319624.37003589 Hamiltonian (28920.79164s) stopped
T12 >> 1462319624.37006307 LCAO eigensolver (40924.28202s) started
T12 >> 1462319624.37007594 Potential matrix (612.49382s) started
T12 << 1462319625.33429790 Potential matrix (613.45805s) stopped
T12 >> 1462319625.33439398 DistributedAtomicCorrection (254.65598s) started
T12 << 1462319625.78167391 DistributedAtomicCorrection (255.10326s) stopped
T12 >> 1462319625.78174901 Distribute overlap matrix (4692.36425s) started
T12 >> 1462319625.78177309 blocked summation (2618.75107s) started
T12 << 1462319630.30797911 blocked summation (2623.27728s) stopped
T12 >> 1462319630.31771588 Scalapack redistribute (2067.41906s) started
T12 << 1462319633.87630105 Scalapack redistribute (2070.97765s) stopped
T12 << 1462319633.87642598 Distribute overlap matrix (4700.45893s) stopped
T12 >> 1462319633.88128591 Blacs Orbital Layouts (34247.20173s) started
T12 >> 1462319633.89032888 General diagonalize (34108.88277s) started
T12 << 1462319690.08989310 General diagonalize (34165.08234s) stopped
T12 >> 1462319690.08996797 Redistribute coefs (5.19500s) started
T12 << 1462319690.09872603 Redistribute coefs (5.20376s) stopped
T12 >> 1462319690.09876609 Send coefs to domains (127.36222s) started
T12 << 1462319690.35503006 Send coefs to domains (127.61848s) stopped
T12 << 1462319690.35561609 Blacs Orbital Layouts (34303.67606s) stopped
T12 >> 1462319690.35564399 Calculate projections (1114.47250s) started
T12 << 1462319692.12678790 Calculate projections (1116.24364s) stopped
T12 << 1462319692.12726307 LCAO eigensolver (40992.03922s) stopped
T12 >> 1462319695.25353003 Density (9689.51314s) started
T12 >> 1462319695.25354409 Pseudo density (7480.56592s) started
T12 >> 1462319695.25636911 Calculate density matrix (7025.60327s) started
T12 << 1462319707.67693496 Calculate density matrix (7038.02383s) stopped
T12 >> 1462319707.67698407 Construct density (443.07911s) started
T12 << 1462319708.44848490 Construct density (443.85061s) stopped
T12 >> 1462319708.46265101 Symmetrize density (0.05017s) started
T12 << 1462319708.46271610 Symmetrize density (0.05024s) stopped
T12 << 1462319708.46480107 Pseudo density (7493.77718s) stopped
T12 >> 1462319708.46485806 Atomic density matrices (1948.66980s) started
T12 << 1462319711.95016098 Atomic density matrices (1952.15510s) stopped
T12 >> 1462319711.95019388 Multipole moments (7.04704s) started
T12 << 1462319711.96500206 Multipole moments (7.06185s) stopped
T12 >> 1462319711.96503305 Normalize (3.99458s) started
T12 << 1462319711.97127295 Normalize (4.00082s) stopped
T12 >> 1462319711.97132301 Mix (249.18951s) started
T12 << 1462319712.38246107 Mix (249.60065s) stopped
T12 << 1462319712.38255310 Density (9706.64217s) stopped
T12 >> 1462319712.38258791 Hamiltonian (28920.79165s) started
T12 >> 1462319712.38260603 vbar (15.73249s) started
T12 << 1462319712.41040993 vbar (15.76030s) stopped
T12 >> 1462319712.41049504 XC 3D grid (16669.42923s) started
T12 >> 1462319712.91045403 van der Waals (16100.47774s) started
T12 >> 1462319713.02064300 semilocal (3400.75014s) started
T12 << 1462319718.89093590 semilocal (3406.62043s) stopped
T12 >> 1462319718.96370506 redistribute (1733.90758s) started
T12 << 1462319719.92024899 redistribute (1734.86412s) stopped
T12 >> 1462319719.92029095 libvdwxc nonlocal (10853.53759s) started
T12 << 1462319738.36504006 libvdwxc nonlocal (10871.98234s) stopped
T12 >> 1462319738.36510491 redistribute (1734.86415s) started
T12 << 1462319740.24232793 redistribute (1736.74138s) stopped
T12 << 1462319740.24343896 van der Waals (16127.81072s) stopped
T12 << 1462319740.70768595 XC 3D grid (16697.72642s) stopped
T12 >> 1462319740.70772696 Poisson (3502.30567s) started
T12 << 1462319743.78013611 Poisson (3505.37808s) stopped
T12 >> 1462319743.78019810 Hartree integrate/restrict (218.91013s) started
T12 << 1462319743.83138800 Hartree integrate/restrict (218.96132s) stopped
T12 >> 1462319743.83146191 Hartree integrate/restrict (218.96137s) started
T12 << 1462319744.14601111 Hartree integrate/restrict (219.27592s) stopped
T12 >> 1462319744.14611292 Atomic (1408.44071s) started
T12 >> 1462319744.14792800 XC Correction (0.01959s) started
T12 << 1462319744.14794397 XC Correction (0.01961s) stopped
T12 << 1462319746.55741000 Atomic (1410.85201s) stopped
T12 >> 1462319746.55755305 Communicate (7105.73991s) started
T12 << 1462319762.78905106 Communicate (7121.97141s) stopped
T12 << 1462319762.78910899 Hamiltonian (28971.19817s) stopped
T12 >> 1462319762.78913498 LCAO eigensolver (40992.03924s) started
T12 >> 1462319762.78914809 Potential matrix (613.45810s) started
T12 << 1462319763.75836802 Potential matrix (614.42732s) stopped
T12 >> 1462319763.75844097 DistributedAtomicCorrection (255.10330s) started
T12 << 1462319764.20469093 DistributedAtomicCorrection (255.54955s) stopped
T12 >> 1462319764.20476007 Distribute overlap matrix (4700.45895s) started
T12 >> 1462319764.20478511 blocked summation (2623.27733s) started
T12 << 1462319768.72932792 blocked summation (2627.80188s) stopped
T12 >> 1462319768.73800898 Scalapack redistribute (2070.97772s) started
T12 << 1462319772.30987906 Scalapack redistribute (2074.54959s) stopped
T12 << 1462319772.30997610 Distribute overlap matrix (4708.56416s) stopped
T12 >> 1462319772.31431007 Blacs Orbital Layouts (34303.67608s) started
T12 >> 1462319772.32317305 General diagonalize (34165.08240s) started
T12 << 1462319826.03246498 General diagonalize (34218.79169s) stopped
T12 >> 1462319826.03251195 Redistribute coefs (5.20379s) started
T12 << 1462319826.04052901 Redistribute coefs (5.21181s) stopped
T12 >> 1462319826.04057002 Send coefs to domains (127.61851s) started
T12 << 1462319826.14046192 Send coefs to domains (127.71841s) stopped
T12 << 1462319826.14081693 Blacs Orbital Layouts (34357.50259s) stopped
T12 >> 1462319826.14084506 Calculate projections (1116.24369s) started
T12 << 1462319827.90895391 Calculate projections (1118.01180s) stopped
T12 << 1462319827.90913701 LCAO eigensolver (41057.15924s) stopped
T12 << 1462319831.03397107 SCF-cycle (81755.82632s) stopped
T12 >> 1462319833.07642388 Force calculation (3689.58536s) started
T12 >> 1462319833.07650590 LCAO forces (3649.56045s) started
T12 >> 1462319833.07687306 Initial (0.00106s) started
T12 << 1462319833.07688498 Initial (0.00108s) stopped
T12 >> 1462319833.08364296 Get density matrix (1909.54358s) started
T12 << 1462319843.24477291 Get density matrix (1919.70471s) stopped
T12 >> 1462319843.24482012 Potential (288.60316s) started
T12 << 1462319849.39464307 Potential (294.75298s) stopped
T12 >> 1462319849.39470005 Get density matrix (1919.70475s) started
T12 << 1462319880.74031806 Get density matrix (1951.05037s) stopped
T12 >> 1462319880.74037409 Prepare TCI loop (101.57271s) started
T12 >> 1462319880.74089289 Get neighbors (91.29457s) started
T12 << 1462319882.61290097 Get neighbors (93.16658s) stopped
T12 >> 1462319882.61394095 broadcast dH (10.22384s) started
T12 << 1462319882.89234090 broadcast dH (10.50224s) stopped
T12 << 1462319882.89238191 Prepare TCI loop (103.72471s) stopped
T12 >> 1462319882.89240193 Not so complicated loop (5.59418s) started
T12 << 1462319883.00875902 Not so complicated loop (5.71053s) stopped
T12 >> 1462319883.12423801 Complicated loop (878.91908s) started
T12 << 1462319902.53426194 Complicated loop (898.32910s) stopped
T12 >> 1462319902.53526592 Wait for sum (459.30947s) started
T12 << 1462319912.85333395 Wait for sum (469.62754s) stopped
T12 << 1462319912.85336995 LCAO forces (3729.33731s) stopped
T12 << 1462319913.69624305 Force calculation (3770.20518s) stopped
T12 >> 1462319913.71398306 Initialization (6128.75079s) started
T12 << 1462319913.71415401 Initialization (6128.75096s) stopped
T12 >> 1462319913.71438694 Initialization (6128.75098s) started
T12 << 1462319913.71452308 Initialization (6128.75111s) stopped
T12 >> 1462319913.71466303 Initialization (6128.75113s) started
T12 << 1462319913.71480203 Initialization (6128.75127s) stopped
T12 >> 1462319934.05176997 Initialization (6128.75128s) started
T12 >> 1462319934.14149809 Basic WFS set positions (4.23109s) started
T12 >> 1462319934.14152193 Redistribute (0.01384s) started
T12 << 1462319934.14165211 Redistribute (0.01397s) stopped
T12 << 1462319934.23044991 Basic WFS set positions (4.32005s) stopped
T12 >> 1462319934.23047495 Basis functions set positions (88.10370s) started
T12 << 1462319936.16384101 Basis functions set positions (90.03707s) stopped
T12 >> 1462319936.16426110 TCI: Calculate S, T, P (733.55043s) started
T12 << 1462319951.90994596 TCI: Calculate S, T, P (749.29611s) stopped
T12 >> 1462319951.91000295 blocked summation (1133.26943s) started
T12 << 1462319980.39412594 blocked summation (1161.75355s) stopped
T12 >> 1462319980.40352607 Scalapack redistribute (435.42377s) started
T12 << 1462319990.35396504 Scalapack redistribute (445.37421s) stopped
T12 >> 1462319990.35503197 blocked summation (1161.75358s) started
T12 << 1462319991.42361307 blocked summation (1162.82217s) stopped
T12 >> 1462319991.43329191 Scalapack redistribute (445.37427s) started
T12 << 1462319991.78490305 Scalapack redistribute (445.72588s) stopped
T12 >> 1462319991.78673697 Redistribute (0.10612s) started
T12 << 1462319991.78725410 Redistribute (0.10664s) stopped
T12 >> 1462319993.50103402 Redistribute (0.10666s) started
T12 << 1462319993.50153208 Redistribute (0.10716s) stopped
T12 >> 1462319993.51755190 LCAO WFS Initialize (3639.30703s) started
T12 >> 1462319993.51763606 Density initialize from wavefunctions (688.28079s) started
T12 >> 1462319993.52481198 Calculate density matrix (476.72947s) started
T12 << 1462320003.38302493 Calculate density matrix (486.58768s) stopped
T12 >> 1462320003.38307405 Construct density (36.15610s) started
T12 << 1462320004.15100908 Construct density (36.92403s) stopped
T12 >> 1462320004.16524291 Symmetrize density (0.00395s) started
T12 << 1462320004.16529989 Symmetrize density (0.00401s) stopped
T12 << 1462320007.94882107 Density initialize from wavefunctions (702.71198s) stopped
T12 >> 1462320007.94908190 Hamiltonian (2950.09767s) started
T12 >> 1462320007.94910002 vbar (1.36073s) started
T12 << 1462320007.97045302 vbar (1.38208s) stopped
T12 >> 1462320007.97055197 XC 3D grid (1396.96730s) started
T12 >> 1462320008.54786611 van der Waals (1349.59971s) started
T12 >> 1462320008.65588188 semilocal (283.86609s) started
T12 << 1462320014.46637201 semilocal (289.67658s) stopped
T12 >> 1462320014.54118705 redistribute (155.51146s) started
T12 << 1462320015.50261593 redistribute (156.47289s) stopped
T12 >> 1462320015.50266790 libvdwxc nonlocal (900.82847s) started
T12 << 1462320034.46252108 libvdwxc nonlocal (919.78832s) stopped
T12 >> 1462320034.46258593 redistribute (156.47292s) started
T12 << 1462320036.25180292 redistribute (158.26214s) stopped
T12 << 1462320036.25288701 van der Waals (1377.30473s) stopped
T12 << 1462320036.71877289 XC 3D grid (1425.71552s) stopped
T12 >> 1462320036.71881604 Poisson (713.72184s) started
T12 << 1462320049.87582898 Poisson (726.87885s) stopped
T12 >> 1462320049.87590408 Hartree integrate/restrict (18.19930s) started
T12 << 1462320049.92248893 Hartree integrate/restrict (18.24589s) stopped
T12 >> 1462320049.92253590 Hartree integrate/restrict (18.24591s) started
T12 << 1462320050.29419994 Hartree integrate/restrict (18.61758s) stopped
T12 >> 1462320050.29427505 Atomic (116.08750s) started
T12 >> 1462320050.29636908 XC Correction (0.00181s) started
T12 << 1462320050.29638410 XC Correction (0.00183s) stopped
T12 << 1462320052.66446710 Atomic (118.45769s) stopped
T12 >> 1462320052.66463590 Communicate (703.71542s) started
T12 << 1462320069.95722008 Communicate (721.00800s) stopped
T12 << 1462320069.95725703 Hamiltonian (3012.10584s) stopped
T12 << 1462320069.95727110 LCAO WFS Initialize (3715.74675s) stopped
T12 << 1462320069.96948910 Initialization (6264.66900s) stopped
T12 >> 1462320069.99542809 SCF-cycle (81755.82634s) started
T12 >> 1462320069.99546409 LCAO eigensolver (41057.15926s) started
T12 >> 1462320069.99547601 Potential matrix (614.42737s) started
T12 << 1462320070.95104790 Potential matrix (615.38294s) stopped
T12 >> 1462320070.95113397 DistributedAtomicCorrection (255.54959s) started
T12 << 1462320071.38158607 DistributedAtomicCorrection (255.98004s) stopped
T12 >> 1462320071.38163209 Distribute overlap matrix (4708.56417s) started
T12 >> 1462320071.38166809 blocked summation (2627.80191s) started
T12 << 1462320075.81256700 blocked summation (2632.23281s) stopped
T12 >> 1462320075.82168508 Scalapack redistribute (2074.54964s) started
T12 << 1462320079.44864297 Scalapack redistribute (2078.17659s) stopped
T12 << 1462320079.44875908 Distribute overlap matrix (4716.63130s) stopped
T12 >> 1462320079.45301390 Blacs Orbital Layouts (34357.50261s) started
T12 >> 1462320079.46197200 General diagonalize (34218.79173s) started
T12 << 1462320136.35532093 General diagonalize (34275.68508s) stopped
T12 >> 1462320136.35537410 Redistribute coefs (5.21184s) started
T12 << 1462320136.36429596 Redistribute coefs (5.22076s) stopped
T12 >> 1462320136.36434507 Send coefs to domains (127.71844s) started
T12 << 1462320136.53958797 Send coefs to domains (127.89368s) stopped
T12 << 1462320136.54027104 Blacs Orbital Layouts (34414.58987s) stopped
T12 >> 1462320136.54030204 Calculate projections (1118.01185s) started
T12 << 1462320138.32070088 Calculate projections (1119.79225s) stopped
T12 << 1462320138.32097197 LCAO eigensolver (41125.48477s) stopped
T12 >> 1462320141.43205810 Density (9706.64218s) started
T12 >> 1462320141.43208408 Pseudo density (7493.77723s) started
T12 >> 1462320141.43498302 Calculate density matrix (7038.02387s) started
T12 << 1462320153.18827796 Calculate density matrix (7049.77716s) stopped
T12 >> 1462320153.18833590 Construct density (443.85066s) started
T12 << 1462320153.95684910 Construct density (444.61918s) stopped
T12 >> 1462320153.97301507 Symmetrize density (0.05025s) started
T12 << 1462320153.97308803 Symmetrize density (0.05033s) stopped
T12 << 1462320153.97560811 Pseudo density (7506.32075s) stopped
T12 >> 1462320153.97567701 Atomic density matrices (1952.15513s) started
T12 << 1462320157.46372795 Atomic density matrices (1955.64318s) stopped
T12 >> 1462320157.46376395 Multipole moments (7.06186s) started
T12 << 1462320157.47860503 Multipole moments (7.07670s) stopped
T12 >> 1462320157.47863007 Normalize (4.00085s) started
T12 << 1462320157.48542404 Normalize (4.00765s) stopped
T12 >> 1462320157.48548007 Mix (249.60074s) started
T12 << 1462320157.84984994 Mix (249.96511s) stopped
T12 << 1462320157.84991288 Density (9723.06004s) stopped
T12 >> 1462320157.84994698 Hamiltonian (28971.19818s) started
T12 >> 1462320157.84996295 vbar (15.76035s) started
T12 << 1462320157.88858509 vbar (15.79897s) stopped
T12 >> 1462320157.88873196 XC 3D grid (16697.72645s) started
T12 >> 1462320158.36824989 van der Waals (16127.81075s) started
T12 >> 1462320158.48139095 semilocal (3406.62052s) started
T12 << 1462320164.22970009 semilocal (3412.36883s) stopped
T12 >> 1462320164.30432105 redistribute (1736.74144s) started
T12 << 1462320165.35043192 redistribute (1737.78755s) stopped
T12 >> 1462320165.35048509 libvdwxc nonlocal (10871.98239s) started
T12 << 1462320183.33039904 libvdwxc nonlocal (10889.96230s) stopped
T12 >> 1462320183.33046699 redistribute (1737.78759s) started
T12 << 1462320185.43857908 redistribute (1739.89570s) stopped
T12 << 1462320185.43994904 van der Waals (16154.88245s) stopped
T12 << 1462320185.90409589 XC 3D grid (16725.74181s) stopped
T12 >> 1462320185.90414500 Poisson (3505.37813s) started
T12 << 1462320190.41794109 Poisson (3509.89193s) stopped
T12 >> 1462320190.41801596 Hartree integrate/restrict (219.27597s) started
T12 << 1462320190.46606994 Hartree integrate/restrict (219.32402s) stopped
T12 >> 1462320190.46617103 Hartree integrate/restrict (219.32409s) started
T12 << 1462320190.81054997 Hartree integrate/restrict (219.66847s) stopped
T12 >> 1462320190.81062794 Atomic (1410.85203s) started
T12 >> 1462320190.81255698 XC Correction (0.01962s) started
T12 << 1462320190.81257296 XC Correction (0.01964s) stopped
T12 << 1462320193.19143891 Atomic (1413.23284s) stopped
T12 >> 1462320193.19161701 Communicate (7121.97146s) started
T12 << 1462320210.50006199 Communicate (7139.27990s) stopped
T12 << 1462320210.50009608 Hamiltonian (29023.84833s) stopped
T12 >> 1462320210.50012112 LCAO eigensolver (41125.48479s) started
T12 >> 1462320210.50013304 Potential matrix (615.38299s) started
T12 << 1462320211.46818399 Potential matrix (616.35104s) stopped
T12 >> 1462320211.46825695 DistributedAtomicCorrection (255.98008s) started
T12 << 1462320211.90153289 DistributedAtomicCorrection (256.41335s) stopped
T12 >> 1462320211.90158010 Distribute overlap matrix (4716.63131s) started
T12 >> 1462320211.90161610 blocked summation (2632.23284s) started
T12 << 1462320216.36422992 blocked summation (2636.69545s) stopped
T12 >> 1462320216.37365603 Scalapack redistribute (2078.17667s) started
T12 << 1462320220.04012203 Scalapack redistribute (2081.84314s) stopped
T12 << 1462320220.04019094 Distribute overlap matrix (4724.76993s) stopped
T12 >> 1462320220.04500389 Blacs Orbital Layouts (34414.58989s) started
T12 >> 1462320220.05357194 General diagonalize (34275.68512s) started
T12 << 1462320273.44438291 General diagonalize (34329.07593s) stopped
T12 >> 1462320273.44442797 Redistribute coefs (5.22080s) started
T12 << 1462320273.45264912 Redistribute coefs (5.22902s) stopped
T12 >> 1462320273.45272303 Send coefs to domains (127.89372s) started
T12 << 1462320273.57200789 Send coefs to domains (128.01301s) stopped
T12 << 1462320273.57240510 Blacs Orbital Layouts (34468.11729s) stopped
T12 >> 1462320273.57243299 Calculate projections (1119.79231s) started
T12 << 1462320275.33981895 Calculate projections (1121.55970s) stopped
T12 << 1462320275.34019303 LCAO eigensolver (41190.32486s) stopped
T12 >> 1462320278.46037507 Density (9723.06005s) started
T12 >> 1462320278.46038890 Pseudo density (7506.32080s) started
T12 >> 1462320278.46288896 Calculate density matrix (7049.77720s) started
T12 << 1462320290.54134703 Calculate density matrix (7061.85566s) stopped
T12 >> 1462320290.54139495 Construct density (444.61923s) started
T12 << 1462320291.30920911 Construct density (445.38705s) stopped
T12 >> 1462320291.32318306 Symmetrize density (0.05034s) started
T12 << 1462320291.32324696 Symmetrize density (0.05041s) stopped
T12 << 1462320291.32533598 Pseudo density (7519.18575s) stopped
T12 >> 1462320291.32539296 Atomic density matrices (1955.64321s) started
T12 << 1462320294.80532908 Atomic density matrices (1959.12315s) stopped
T12 >> 1462320294.80536199 Multipole moments (7.07672s) started
T12 << 1462320294.82028294 Multipole moments (7.09164s) stopped
T12 >> 1462320294.82030702 Normalize (4.00769s) started
T12 << 1462320294.82642198 Normalize (4.01380s) stopped
T12 >> 1462320294.82651401 Mix (249.96517s) started
T12 << 1462320295.21184611 Mix (250.35050s) stopped
T12 << 1462320295.21192789 Density (9739.81160s) stopped
T12 >> 1462320295.21196508 Hamiltonian (29023.84835s) started
T12 >> 1462320295.21198201 vbar (15.79905s) started
T12 << 1462320295.24358702 vbar (15.83065s) stopped
T12 >> 1462320295.24370098 XC 3D grid (16725.74185s) started
T12 >> 1462320295.76074600 van der Waals (16154.88249s) started
T12 >> 1462320295.86587405 semilocal (3412.36891s) started
T12 << 1462320301.66741395 semilocal (3418.17045s) stopped
T12 >> 1462320301.75344992 redistribute (1739.89576s) started
T12 << 1462320302.74806690 redistribute (1740.89038s) stopped
T12 >> 1462320302.74811101 libvdwxc nonlocal (10889.96235s) started
T12 << 1462320320.91556096 libvdwxc nonlocal (10908.12980s) stopped
T12 >> 1462320320.91562009 redistribute (1740.89041s) started
T12 << 1462320322.61874509 redistribute (1742.59354s) stopped
T12 << 1462320322.62005997 van der Waals (16181.74180s) stopped
T12 << 1462320323.08409810 XC 3D grid (16753.58225s) stopped
T12 >> 1462320323.08414197 Poisson (3509.89198s) started
T12 << 1462320334.56180310 Poisson (3521.36964s) stopped
T12 >> 1462320334.56186604 Hartree integrate/restrict (219.66850s) started
T12 << 1462320334.61262703 Hartree integrate/restrict (219.71926s) stopped
T12 >> 1462320334.61267805 Hartree integrate/restrict (219.71929s) started
T12 << 1462320334.91831207 Hartree integrate/restrict (220.02493s) stopped
T12 >> 1462320334.91841412 Atomic (1413.23287s) started
T12 >> 1462320334.92024899 XC Correction (0.01965s) started
T12 << 1462320334.92027712 XC Correction (0.01968s) stopped
T12 << 1462320337.32450390 Atomic (1415.63896s) stopped
T12 >> 1462320337.32467508 Communicate (7139.27992s) started
T12 << 1462320354.77662992 Communicate (7156.73188s) stopped
T12 << 1462320354.77666497 Hamiltonian (29083.41305s) stopped
T12 >> 1462320354.77670789 LCAO eigensolver (41190.32488s) started
T12 >> 1462320354.77672195 Potential matrix (616.35108s) started
T12 << 1462320355.75660300 Potential matrix (617.33097s) stopped
T12 >> 1462320355.75668812 DistributedAtomicCorrection (256.41339s) started
T12 << 1462320356.19390106 DistributedAtomicCorrection (256.85060s) stopped
T12 >> 1462320356.19394708 Distribute overlap matrix (4724.76994s) started
T12 >> 1462320356.19398189 blocked summation (2636.69548s) started
T12 << 1462320360.59924889 blocked summation (2641.10075s) stopped
T12 >> 1462320360.60899806 Scalapack redistribute (2081.84317s) started
T12 << 1462320364.26991010 Scalapack redistribute (2085.50409s) stopped
T12 << 1462320364.26998091 Distribute overlap matrix (4732.84597s) stopped
T12 >> 1462320364.27446294 Blacs Orbital Layouts (34468.11731s) started
T12 >> 1462320364.28327203 General diagonalize (34329.07597s) started
T12 << 1462320417.49032402 General diagonalize (34382.28302s) stopped
T12 >> 1462320417.49036908 Redistribute coefs (5.22908s) started
T12 << 1462320417.49876189 Redistribute coefs (5.23747s) stopped
T12 >> 1462320417.49883294 Send coefs to domains (128.01304s) started
T12 << 1462320417.69387293 Send coefs to domains (128.20808s) stopped
T12 << 1462320417.69440508 Blacs Orbital Layouts (34521.53725s) stopped
T12 >> 1462320417.69443202 Calculate projections (1121.55974s) started
T12 << 1462320419.46266699 Calculate projections (1123.32798s) stopped
T12 << 1462320419.46302509 LCAO eigensolver (41255.01120s) stopped
T12 >> 1462320422.57002497 Density (9739.81162s) started
T12 >> 1462320422.57004094 Pseudo density (7519.18580s) started
T12 >> 1462320422.57227397 Calculate density matrix (7061.85569s) started
T12 << 1462320434.53022099 Calculate density matrix (7073.81364s) stopped
T12 >> 1462320434.53026891 Construct density (445.38710s) started
T12 << 1462320435.29943895 Construct density (446.15627s) stopped
T12 >> 1462320435.31420708 Symmetrize density (0.05042s) started
T12 << 1462320435.31427002 Symmetrize density (0.05049s) stopped
T12 << 1462320435.31636500 Pseudo density (7531.93212s) stopped
T12 >> 1462320435.31642199 Atomic density matrices (1959.12317s) started
T12 << 1462320438.75474405 Atomic density matrices (1962.56149s) stopped
T12 >> 1462320438.75477695 Multipole moments (7.09166s) started
T12 << 1462320438.76970291 Multipole moments (7.10658s) stopped
T12 >> 1462320438.76972699 Normalize (4.01387s) started
T12 << 1462320438.77580595 Normalize (4.01995s) stopped
T12 >> 1462320438.77589512 Mix (250.35058s) started
T12 << 1462320439.13939691 Mix (250.71408s) stopped
T12 << 1462320439.13949394 Density (9756.38109s) stopped
T12 >> 1462320439.13953400 Hamiltonian (29083.41308s) started
T12 >> 1462320439.13954997 vbar (15.83072s) started
T12 << 1462320439.16789103 vbar (15.85906s) stopped
T12 >> 1462320439.16799998 XC 3D grid (16753.58228s) started
T12 >> 1462320439.72358203 van der Waals (16181.74185s) started
T12 >> 1462320439.82472396 semilocal (3418.17055s) started
T12 << 1462320445.61810207 semilocal (3423.96393s) stopped
T12 >> 1462320445.70221305 redistribute (1742.59359s) started
T12 << 1462320446.73833704 redistribute (1743.62972s) stopped
T12 >> 1462320446.73837996 libvdwxc nonlocal (10908.12985s) started
T12 << 1462320465.66246295 libvdwxc nonlocal (10927.05393s) stopped
T12 >> 1462320465.66252899 redistribute (1743.62975s) started
T12 << 1462320467.32862806 redistribute (1745.29585s) stopped
T12 << 1462320467.32968903 van der Waals (16209.34795s) stopped
T12 << 1462320467.79360509 XC 3D grid (16782.20789s) stopped
T12 >> 1462320467.79366398 Poisson (3521.36969s) started
T12 << 1462320475.28203392 Poisson (3528.85806s) stopped
T12 >> 1462320475.28216100 Hartree integrate/restrict (220.02498s) started
T12 << 1462320475.33342695 Hartree integrate/restrict (220.07625s) stopped
T12 >> 1462320475.33352494 Hartree integrate/restrict (220.07631s) started
T12 << 1462320475.66451097 Hartree integrate/restrict (220.40730s) stopped
T12 >> 1462320475.66459298 Atomic (1415.63898s) started
T12 >> 1462320475.66656399 XC Correction (0.01969s) started
T12 << 1462320475.66659594 XC Correction (0.01972s) stopped
T12 << 1462320478.04255795 Atomic (1418.01694s) stopped
T12 >> 1462320478.04272699 Communicate (7156.73190s) started
T12 << 1462320495.44488001 Communicate (7174.13406s) stopped
T12 << 1462320495.44491696 Hamiltonian (29139.71846s) stopped
T12 >> 1462320495.44494200 LCAO eigensolver (41255.01122s) started
T12 >> 1462320495.44495511 Potential matrix (617.33102s) started
T12 << 1462320496.41435099 Potential matrix (618.30041s) stopped
T12 >> 1462320496.41442108 DistributedAtomicCorrection (256.85064s) started
T12 << 1462320496.85320997 DistributedAtomicCorrection (257.28943s) stopped
T12 >> 1462320496.85325694 Distribute overlap matrix (4732.84598s) started
T12 >> 1462320496.85329199 blocked summation (2641.10078s) started
T12 << 1462320501.32238412 blocked summation (2645.56987s) stopped
T12 >> 1462320501.33148599 Scalapack redistribute (2085.50412s) started
T12 << 1462320505.14141798 Scalapack redistribute (2089.31405s) stopped
T12 << 1462320505.14149189 Distribute overlap matrix (4741.13422s) stopped
T12 >> 1462320505.14582801 Blacs Orbital Layouts (34521.53727s) started
T12 >> 1462320505.15440512 General diagonalize (34382.28306s) started
T12 << 1462320561.51424003 General diagonalize (34438.64289s) stopped
T12 >> 1462320561.51434302 Redistribute coefs (5.23753s) started
T12 << 1462320561.52247190 Redistribute coefs (5.24566s) stopped
T12 >> 1462320561.52254391 Send coefs to domains (128.20811s) started
T12 << 1462320561.69570589 Send coefs to domains (128.38127s) stopped
T12 << 1462320561.69615698 Blacs Orbital Layouts (34578.08760s) stopped
T12 >> 1462320561.69618607 Calculate projections (1123.32803s) started
T12 << 1462320563.46415997 Calculate projections (1125.09600s) stopped
T12 << 1462320563.46434402 LCAO eigensolver (41323.03062s) stopped
T12 >> 1462320566.57197189 Density (9756.38111s) started
T12 >> 1462320566.57198691 Pseudo density (7531.93217s) started
T12 >> 1462320566.57411098 Calculate density matrix (7073.81368s) started
T12 << 1462320578.65981889 Calculate density matrix (7085.89939s) stopped
T12 >> 1462320578.65986896 Construct density (446.15632s) started
T12 << 1462320579.42917395 Construct density (446.92562s) stopped
T12 >> 1462320579.44340706 Symmetrize density (0.05050s) started
T12 << 1462320579.44347191 Symmetrize density (0.05057s) stopped
T12 << 1462320579.44557309 Pseudo density (7544.80575s) stopped
T12 >> 1462320579.44562888 Atomic density matrices (1962.56152s) started
T12 << 1462320582.87698197 Atomic density matrices (1965.99287s) stopped
T12 >> 1462320582.87701392 Multipole moments (7.10660s) started
T12 << 1462320582.89193606 Multipole moments (7.12152s) stopped
T12 >> 1462320582.89196897 Normalize (4.02002s) started
T12 << 1462320582.89804101 Normalize (4.02610s) stopped
T12 >> 1462320582.89812589 Mix (250.71418s) started
T12 << 1462320583.28231597 Mix (251.09837s) stopped
T12 << 1462320583.28237510 Density (9773.09151s) stopped
T12 >> 1462320583.28240395 Hamiltonian (29139.71847s) started
T12 >> 1462320583.28241801 vbar (15.85912s) started
T12 << 1462320583.30378699 vbar (15.88049s) stopped
T12 >> 1462320583.30388093 XC 3D grid (16782.20793s) started
T12 >> 1462320583.85361004 van der Waals (16209.34799s) started
T12 >> 1462320583.95776200 semilocal (3423.96403s) started
T12 << 1462320589.71673298 semilocal (3429.72300s) stopped
T12 >> 1462320589.80291295 redistribute (1745.29590s) started
T12 << 1462320590.84254289 redistribute (1746.33553s) stopped
T12 >> 1462320590.84258509 libvdwxc nonlocal (10927.05398s) started
T12 << 1462320609.63205695 libvdwxc nonlocal (10945.84345s) stopped
T12 >> 1462320609.63210297 redistribute (1746.33556s) started
T12 << 1462320611.34528399 redistribute (1748.04874s) stopped
T12 << 1462320611.34616804 van der Waals (16236.84054s) stopped
T12 << 1462320611.81044602 XC 3D grid (16810.71450s) stopped
T12 >> 1462320611.81049299 Poisson (3528.85816s) started
T12 << 1462320617.66100597 Poisson (3534.70867s) stopped
T12 >> 1462320617.66108704 Hartree integrate/restrict (220.40734s) started
T12 << 1462320617.71376300 Hartree integrate/restrict (220.46001s) stopped
T12 >> 1462320617.71385288 Hartree integrate/restrict (220.46008s) started
T12 << 1462320618.05333209 Hartree integrate/restrict (220.79956s) stopped
T12 >> 1462320618.05342603 Atomic (1418.01697s) started
T12 >> 1462320618.05527091 XC Correction (0.01974s) started
T12 << 1462320618.05529404 XC Correction (0.01976s) stopped
T12 << 1462320620.43374610 Atomic (1420.39729s) stopped
T12 >> 1462320620.43392110 Communicate (7174.13408s) started
T12 << 1462320637.42858911 Communicate (7191.12875s) stopped
T12 << 1462320637.42862797 Hamiltonian (29193.86470s) stopped
T12 >> 1462320637.42865300 LCAO eigensolver (41323.03064s) started
T12 >> 1462320637.42866492 Potential matrix (618.30045s) started
T12 << 1462320638.40679908 Potential matrix (619.27859s) stopped
T12 >> 1462320638.40688396 DistributedAtomicCorrection (257.28947s) started
T12 << 1462320638.84681702 DistributedAtomicCorrection (257.72940s) stopped
T12 >> 1462320638.84686399 Distribute overlap matrix (4741.13423s) started
T12 >> 1462320638.84689999 blocked summation (2645.56990s) started
T12 << 1462320643.32430911 blocked summation (2650.04731s) stopped
T12 >> 1462320643.33430099 Scalapack redistribute (2089.31408s) started
T12 << 1462320647.02347398 Scalapack redistribute (2093.00326s) stopped
T12 << 1462320647.02355099 Distribute overlap matrix (4749.31092s) stopped
T12 >> 1462320647.02875996 Blacs Orbital Layouts (34578.08762s) started
T12 >> 1462320647.03761506 General diagonalize (34438.64298s) started
T12 << 1462320700.92990994 General diagonalize (34492.53528s) stopped
T12 >> 1462320700.92996311 Redistribute coefs (5.24572s) started
T12 << 1462320700.93909597 Redistribute coefs (5.25485s) stopped
T12 >> 1462320700.93915009 Send coefs to domains (128.38130s) started
T12 << 1462320701.07419300 Send coefs to domains (128.51635s) stopped
T12 << 1462320701.07479906 Blacs Orbital Layouts (34632.13366s) stopped
T12 >> 1462320701.07483602 Calculate projections (1125.09605s) started
T12 << 1462320702.85578990 Calculate projections (1126.87701s) stopped
T12 << 1462320702.85603809 LCAO eigensolver (41388.45802s) stopped
T12 >> 1462320705.97581911 Density (9773.09153s) started
T12 >> 1462320705.97583508 Pseudo density (7544.80580s) started
T12 >> 1462320705.97862005 Calculate density matrix (7085.89942s) started
T12 << 1462320717.99055099 Calculate density matrix (7097.91135s) stopped
T12 >> 1462320717.99060702 Construct density (446.92568s) started
T12 << 1462320718.75847411 Construct density (447.69354s) stopped
T12 >> 1462320718.77433205 Symmetrize density (0.05059s) started
T12 << 1462320718.77439809 Symmetrize density (0.05065s) stopped
T12 << 1462320718.77687693 Pseudo density (7557.60684s) stopped
T12 >> 1462320718.77694511 Atomic density matrices (1965.99290s) started
T12 << 1462320722.26648211 Atomic density matrices (1969.48243s) stopped
T12 >> 1462320722.26652098 Multipole moments (7.12154s) started
T12 << 1462320722.28156805 Multipole moments (7.13659s) stopped
T12 >> 1462320722.28160191 Normalize (4.02616s) started
T12 << 1462320722.28840399 Normalize (4.03296s) stopped
T12 >> 1462320722.28845692 Mix (251.09842s) started
T12 << 1462320722.77610898 Mix (251.58608s) stopped
T12 << 1462320722.77616596 Density (9789.89187s) stopped
T12 >> 1462320722.77619505 Hamiltonian (29193.86471s) started
T12 >> 1462320722.77621198 vbar (15.88055s) started
T12 << 1462320722.79632711 vbar (15.90067s) stopped
T12 >> 1462320722.79639697 XC 3D grid (16810.71453s) started
T12 >> 1462320723.29927611 van der Waals (16236.84057s) started
T12 >> 1462320723.41295004 semilocal (3429.72311s) started
T12 << 1462320729.12693310 semilocal (3435.43709s) stopped
T12 >> 1462320729.20576406 redistribute (1748.04880s) started
T12 << 1462320730.27925611 redistribute (1749.12230s) stopped
T12 >> 1462320730.27933192 libvdwxc nonlocal (10945.84349s) started
T12 << 1462320748.55974388 libvdwxc nonlocal (10964.12390s) stopped
T12 >> 1462320748.55982208 redistribute (1749.12235s) started
T12 << 1462320750.57677507 redistribute (1751.13930s) stopped
T12 << 1462320750.57761908 van der Waals (16264.11891s) stopped
T12 << 1462320751.05338693 XC 3D grid (16838.97152s) stopped
T12 >> 1462320751.05344892 Poisson (3534.70873s) started
T12 << 1462320756.85521293 Poisson (3540.51049s) stopped
T12 >> 1462320756.85531902 Hartree integrate/restrict (220.79960s) started
T12 << 1462320756.89316797 Hartree integrate/restrict (220.83745s) stopped
T12 >> 1462320756.89328194 Hartree integrate/restrict (220.83752s) started
T12 << 1462320757.22606111 Hartree integrate/restrict (221.17030s) stopped
T12 >> 1462320757.22616911 Atomic (1420.39731s) started
T12 >> 1462320757.22812700 XC Correction (0.01977s) started
T12 << 1462320757.22814202 XC Correction (0.01979s) stopped
T12 << 1462320759.62718892 Atomic (1422.79833s) stopped
T12 >> 1462320759.62737894 Communicate (7191.12877s) started
T12 << 1462320775.73537898 Communicate (7207.23677s) stopped
T12 << 1462320775.73542190 Hamiltonian (29246.82394s) stopped
T12 >> 1462320775.73545003 LCAO eigensolver (41388.45804s) started
T12 >> 1462320775.73546290 Potential matrix (619.27864s) started
T12 << 1462320776.69946194 Potential matrix (620.24264s) stopped
T12 >> 1462320776.69954395 DistributedAtomicCorrection (257.72944s) started
T12 << 1462320777.13890910 DistributedAtomicCorrection (258.16881s) stopped
T12 >> 1462320777.13897991 Distribute overlap matrix (4749.31093s) started
T12 >> 1462320777.13900495 blocked summation (2650.04734s) started
T12 << 1462320781.61177397 blocked summation (2654.52011s) stopped
T12 >> 1462320781.62089396 Scalapack redistribute (2093.00330s) started
T12 << 1462320785.32909393 Scalapack redistribute (2096.71150s) stopped
T12 << 1462320785.32920504 Distribute overlap matrix (4757.50116s) stopped
T12 >> 1462320785.33396292 Blacs Orbital Layouts (34632.13368s) started
T12 >> 1462320785.34303093 General diagonalize (34492.53532s) started
T12 << 1462320838.90116310 General diagonalize (34546.09345s) stopped
T12 >> 1462320838.90120912 Redistribute coefs (5.25489s) started
T12 << 1462320838.90948391 Redistribute coefs (5.26317s) stopped
T12 >> 1462320838.90954399 Send coefs to domains (128.51638s) started
T12 << 1462320839.01466703 Send coefs to domains (128.62151s) stopped
T12 << 1462320839.01522493 Blacs Orbital Layouts (34685.81495s) stopped
T12 >> 1462320839.01525688 Calculate projections (1126.87707s) started
T12 << 1462320840.78331399 Calculate projections (1128.64513s) stopped
T12 << 1462320840.78352904 LCAO eigensolver (41453.50612s) stopped
T12 >> 1462320843.90869808 Density (9789.89189s) started
T12 >> 1462320843.90871310 Pseudo density (7557.60689s) started
T12 >> 1462320843.91130304 Calculate density matrix (7097.91139s) started
T12 << 1462320855.66868210 Calculate density matrix (7109.66877s) stopped
T12 >> 1462320855.66872907 Construct density (447.69360s) started
T12 << 1462320856.43772411 Construct density (448.46259s) stopped
T12 >> 1462320856.45187306 Symmetrize density (0.05067s) started
T12 << 1462320856.45193100 Symmetrize density (0.05073s) stopped
T12 << 1462320856.45402503 Pseudo density (7570.15221s) stopped
T12 >> 1462320856.45408511 Atomic density matrices (1969.48246s) started
T12 << 1462320859.92760491 Atomic density matrices (1972.95598s) stopped
T12 >> 1462320859.92763901 Multipole moments (7.13660s) started
T12 << 1462320859.94254208 Multipole moments (7.15151s) stopped
T12 >> 1462320859.94257498 Normalize (4.03300s) started
T12 << 1462320859.94877291 Normalize (4.03920s) stopped
T12 >> 1462320859.94886398 Mix (251.58613s) started
T12 << 1462320860.40112901 Mix (252.03840s) stopped
T12 << 1462320860.40119100 Density (9806.38438s) stopped
T12 >> 1462320860.40122294 Hamiltonian (29246.82395s) started
T12 >> 1462320860.40123796 vbar (15.90070s) started
T12 << 1462320860.42422795 vbar (15.92369s) stopped
T12 >> 1462320860.42430496 XC 3D grid (16838.97157s) started
T12 >> 1462320860.93114591 van der Waals (16264.11894s) started
T12 >> 1462320861.03499889 semilocal (3435.43722s) started
T12 << 1462320866.71150708 semilocal (3441.11373s) stopped
T12 >> 1462320866.80346799 redistribute (1751.13934s) started
T12 << 1462320867.91241407 redistribute (1752.24829s) stopped
T12 >> 1462320867.91245794 libvdwxc nonlocal (10964.12396s) started
T12 << 1462320886.08908010 libvdwxc nonlocal (10982.30058s) stopped
T12 >> 1462320886.08914399 redistribute (1752.24832s) started
T12 << 1462320887.77463007 redistribute (1753.93381s) stopped
T12 << 1462320887.77576399 van der Waals (16290.96356s) stopped
T12 << 1462320888.23601794 XC 3D grid (16866.78329s) stopped
T12 >> 1462320888.23606110 Poisson (3540.51057s) started
T12 << 1462320895.41698194 Poisson (3547.69149s) stopped
T12 >> 1462320895.41710711 Hartree integrate/restrict (221.17036s) started
T12 << 1462320895.45973897 Hartree integrate/restrict (221.21299s) stopped
T12 >> 1462320895.45982909 Hartree integrate/restrict (221.21305s) started
T12 << 1462320895.89203405 Hartree integrate/restrict (221.64526s) stopped
T12 >> 1462320895.89213610 Atomic (1422.79836s) started
T12 >> 1462320895.89396000 XC Correction (0.01980s) started
T12 << 1462320895.89397502 XC Correction (0.01981s) stopped
T12 << 1462320898.28814292 Atomic (1425.19436s) stopped
T12 >> 1462320898.28830504 Communicate (7207.23680s) started
T12 << 1462320914.43025494 Communicate (7223.37875s) stopped
T12 << 1462320914.43028808 Hamiltonian (29300.85301s) stopped
T12 >> 1462320914.43031096 LCAO eigensolver (41453.50614s) started
T12 >> 1462320914.43032408 Potential matrix (620.24268s) started
T12 << 1462320915.41007400 Potential matrix (621.22243s) stopped
T12 >> 1462320915.41014600 DistributedAtomicCorrection (258.16885s) started
T12 << 1462320915.85064697 DistributedAtomicCorrection (258.60935s) stopped
T12 >> 1462320915.85071301 Distribute overlap matrix (4757.50117s) started
T12 >> 1462320915.85073495 blocked summation (2654.52017s) started
T12 << 1462320920.30258703 blocked summation (2658.97202s) stopped
T12 >> 1462320920.31148505 Scalapack redistribute (2096.71156s) started
T12 << 1462320924.02688909 Scalapack redistribute (2100.42697s) stopped
T12 << 1462320924.02696204 Distribute overlap matrix (4765.67742s) stopped
T12 >> 1462320924.03281903 Blacs Orbital Layouts (34685.81496s) started
T12 >> 1462320924.04181290 General diagonalize (34546.09349s) started
T12 << 1462320979.42845702 General diagonalize (34601.48013s) stopped
T12 >> 1462320979.42850089 Redistribute coefs (5.26322s) started
T12 << 1462320979.43631601 Redistribute coefs (5.27103s) stopped
T12 >> 1462320979.43638492 Send coefs to domains (128.62154s) started
T12 << 1462320979.55467510 Send coefs to domains (128.73983s) stopped
T12 << 1462320979.55519104 Blacs Orbital Layouts (34741.33734s) stopped
T12 >> 1462320979.55521798 Calculate projections (1128.64517s) started
T12 << 1462320981.32432294 Calculate projections (1130.41428s) stopped
T12 << 1462320981.32450604 LCAO eigensolver (41520.40033s) stopped
T12 >> 1462320984.46200299 Density (9806.38439s) started
T12 >> 1462320984.46201801 Pseudo density (7570.15225s) started
T12 >> 1462320984.46423292 Calculate density matrix (7109.66880s) started
T12 << 1462320996.58302999 Calculate density matrix (7121.78760s) stopped
T12 >> 1462320996.58307695 Construct density (448.46265s) started
T12 << 1462320997.35234499 Construct density (449.23191s) stopped
T12 >> 1462320997.36650801 Symmetrize density (0.05075s) started
T12 << 1462320997.36656594 Symmetrize density (0.05080s) stopped
T12 << 1462320997.36868501 Pseudo density (7583.05892s) stopped
T12 >> 1462320997.36874294 Atomic density matrices (1972.95601s) started
T12 << 1462321000.90068007 Atomic density matrices (1976.48795s) stopped
T12 >> 1462321000.90071797 Multipole moments (7.15152s) started
T12 << 1462321000.91558504 Multipole moments (7.16639s) stopped
T12 >> 1462321000.91561890 Normalize (4.03927s) started
T12 << 1462321000.92193794 Normalize (4.04559s) stopped
T12 >> 1462321000.92204595 Mix (252.03846s) started
T12 << 1462321001.34773302 Mix (252.46415s) stopped
T12 << 1462321001.34782100 Density (9823.27021s) stopped
T12 >> 1462321001.34785700 Hamiltonian (29300.85303s) started
T12 >> 1462321001.34787512 vbar (15.92373s) started
T12 << 1462321001.37802291 vbar (15.95388s) stopped
T12 >> 1462321001.37809992 XC 3D grid (16866.78332s) started
T12 >> 1462321001.90260911 van der Waals (16290.96358s) started
T12 >> 1462321002.00839710 semilocal (3441.11389s) started
T12 << 1462321007.75809097 semilocal (3446.86358s) stopped
T12 >> 1462321007.83878398 redistribute (1753.93387s) started
T12 << 1462321008.89744711 redistribute (1754.99254s) stopped
T12 >> 1462321008.89748907 libvdwxc nonlocal (10982.30063s) started
T12 << 1462321027.20485306 libvdwxc nonlocal (11000.60799s) stopped
T12 >> 1462321027.20491600 redistribute (1754.99257s) started
T12 << 1462321028.96124196 redistribute (1756.74889s) stopped
T12 << 1462321028.96237397 van der Waals (16318.02334s) stopped
T12 << 1462321029.42517805 XC 3D grid (16894.83040s) stopped
T12 >> 1462321029.42523098 Poisson (3547.69159s) started
T12 << 1462321033.76931596 Poisson (3552.03567s) stopped
T12 >> 1462321033.76942992 Hartree integrate/restrict (221.64531s) started
T12 << 1462321033.81228304 Hartree integrate/restrict (221.68817s) stopped
T12 >> 1462321033.81237698 Hartree integrate/restrict (221.68823s) started
T12 << 1462321034.12290096 Hartree integrate/restrict (221.99876s) stopped
T12 >> 1462321034.12298393 Atomic (1425.19438s) started
T12 >> 1462321034.12476301 XC Correction (0.01982s) started
T12 << 1462321034.12477803 XC Correction (0.01984s) stopped
T12 << 1462321036.52326608 Atomic (1427.59467s) stopped
T12 >> 1462321036.52342296 Communicate (7223.37877s) started
T12 << 1462321052.65474200 Communicate (7239.51009s) stopped
T12 << 1462321052.65478206 Hamiltonian (29352.15995s) stopped
T12 >> 1462321052.65481091 LCAO eigensolver (41520.40035s) started
T12 >> 1462321052.65482497 Potential matrix (621.22248s) started
T12 << 1462321053.62859893 Potential matrix (622.19625s) stopped
T12 >> 1462321053.62867093 DistributedAtomicCorrection (258.60939s) started
T12 << 1462321054.06991410 DistributedAtomicCorrection (259.05063s) stopped
T12 >> 1462321054.06998205 Distribute overlap matrix (4765.67743s) started
T12 >> 1462321054.07000399 blocked summation (2658.97205s) started
T12 << 1462321058.66264009 blocked summation (2663.56469s) stopped
T12 >> 1462321058.67171407 Scalapack redistribute (2100.42701s) started
T12 << 1462321062.29860592 Scalapack redistribute (2104.05390s) stopped
T12 << 1462321062.29867506 Distribute overlap matrix (4773.90612s) stopped
T12 >> 1462321062.30338907 Blacs Orbital Layouts (34741.33735s) started
T12 >> 1462321062.31225801 General diagonalize (34601.48017s) started
T12 << 1462321115.70995593 General diagonalize (34654.87787s) stopped
T12 >> 1462321115.71001005 Redistribute coefs (5.27109s) started
T12 << 1462321115.71961308 Redistribute coefs (5.28069s) stopped
T12 >> 1462321115.71966100 Send coefs to domains (128.73987s) started
T12 << 1462321116.11373496 Send coefs to domains (129.13394s) stopped
T12 << 1462321116.11418295 Blacs Orbital Layouts (34795.14815s) stopped
T12 >> 1462321116.11421394 Calculate projections (1130.41432s) started
T12 << 1462321117.89361596 Calculate projections (1132.19373s) stopped
T12 << 1462321117.89385796 LCAO eigensolver (41585.63940s) stopped
T12 >> 1462321120.99267411 Density (9823.27023s) started
T12 >> 1462321120.99269009 Pseudo density (7583.05897s) started
T12 >> 1462321120.99542189 Calculate density matrix (7121.78763s) started
T12 << 1462321132.75340104 Calculate density matrix (7133.54561s) stopped
T12 >> 1462321132.75345802 Construct density (449.23196s) started
T12 << 1462321133.52240491 Construct density (450.00091s) stopped
T12 >> 1462321133.53896403 Symmetrize density (0.05082s) started
T12 << 1462321133.53903103 Symmetrize density (0.05089s) stopped
T12 << 1462321133.54154611 Pseudo density (7595.60782s) stopped
T12 >> 1462321133.54161596 Atomic density matrices (1976.48797s) started
T12 << 1462321136.97693110 Atomic density matrices (1979.92329s) stopped
T12 >> 1462321136.97696996 Multipole moments (7.16641s) started
T12 << 1462321136.99178910 Multipole moments (7.18123s) stopped
T12 >> 1462321136.99184990 Normalize (4.04568s) started
T12 << 1462321136.99830389 Normalize (4.05213s) stopped
T12 >> 1462321136.99835300 Mix (252.46423s) started
T12 << 1462321137.46628499 Mix (252.93216s) stopped
T12 << 1462321137.46632290 Density (9839.74388s) stopped
T12 >> 1462321137.46635008 Hamiltonian (29352.15997s) started
T12 >> 1462321137.46636796 vbar (15.95391s) started
T12 << 1462321137.50257993 vbar (15.99013s) stopped
T12 >> 1462321137.50266695 XC 3D grid (16894.83044s) started
T12 >> 1462321137.97577095 van der Waals (16318.02337s) started
T12 >> 1462321138.09103489 semilocal (3446.86367s) started
T12 << 1462321143.92257690 semilocal (3452.69521s) stopped
T12 >> 1462321143.99888706 redistribute (1756.74895s) started
T12 << 1462321144.94324589 redistribute (1757.69331s) stopped
T12 >> 1462321144.94329810 libvdwxc nonlocal (11000.60804s) started
T12 << 1462321163.23867297 libvdwxc nonlocal (11018.90341s) stopped
T12 >> 1462321163.23875904 redistribute (1757.69335s) started
T12 << 1462321165.37600899 redistribute (1759.83060s) stopped
T12 << 1462321165.37714601 van der Waals (16345.42474s) stopped
T12 << 1462321165.84350300 XC 3D grid (16923.17128s) stopped
T12 >> 1462321165.84355307 Poisson (3552.03576s) started
T12 << 1462321170.25517893 Poisson (3556.44739s) stopped
T12 >> 1462321170.25527096 Hartree integrate/restrict (221.99880s) started
T12 << 1462321170.29436803 Hartree integrate/restrict (222.03790s) stopped
T12 >> 1462321170.29446602 Hartree integrate/restrict (222.03796s) started
T12 << 1462321170.59767604 Hartree integrate/restrict (222.34117s) stopped
T12 >> 1462321170.59777594 Atomic (1427.59469s) started
T12 >> 1462321170.59964108 XC Correction (0.01985s) started
T12 << 1462321170.59965491 XC Correction (0.01986s) stopped
T12 << 1462321173.02371311 Atomic (1430.02063s) stopped
T12 >> 1462321173.02389002 Communicate (7239.51012s) started
T12 << 1462321189.17300892 Communicate (7255.65924s) stopped
T12 << 1462321189.17303491 Hamiltonian (29403.86665s) stopped
T12 >> 1462321189.17305803 LCAO eigensolver (41585.63942s) started
T12 >> 1462321189.17307091 Potential matrix (622.19629s) started
T12 << 1462321190.14661789 Potential matrix (623.16984s) stopped
T12 >> 1462321190.14671493 DistributedAtomicCorrection (259.05067s) started
T12 << 1462321190.58825111 DistributedAtomicCorrection (259.49220s) stopped
T12 >> 1462321190.58832312 Distribute overlap matrix (4773.90613s) started
T12 >> 1462321190.58834791 blocked summation (2663.56473s) started
T12 << 1462321195.08813000 blocked summation (2668.06451s) stopped
T12 >> 1462321195.09684896 Scalapack redistribute (2104.05393s) started
T12 << 1462321198.61988091 Scalapack redistribute (2107.57697s) stopped
T12 << 1462321198.61998105 Distribute overlap matrix (4781.93779s) stopped
T12 >> 1462321198.62501693 Blacs Orbital Layouts (34795.14817s) started
T12 >> 1462321198.63355494 General diagonalize (34654.87791s) started
T12 << 1462321253.18554401 General diagonalize (34709.42990s) stopped
T12 >> 1462321253.18559694 Redistribute coefs (5.28073s) started
T12 << 1462321253.19462490 Redistribute coefs (5.28975s) stopped
T12 >> 1462321253.19467092 Send coefs to domains (129.13398s) started
T12 << 1462321253.67744994 Send coefs to domains (129.61676s) stopped
T12 << 1462321253.67800212 Blacs Orbital Layouts (34850.20115s) stopped
T12 >> 1462321253.67803097 Calculate projections (1132.19379s) started
T12 << 1462321255.44553304 Calculate projections (1133.96129s) stopped
T12 << 1462321255.44575810 LCAO eigensolver (41651.91212s) stopped
T12 >> 1462321258.55602908 Density (9839.74389s) started
T12 >> 1462321258.55604506 Pseudo density (7595.60788s) started
T12 >> 1462321258.55825400 Calculate density matrix (7133.54565s) started
T12 << 1462321270.39655495 Calculate density matrix (7145.38395s) stopped
T12 >> 1462321270.39660311 Construct density (450.00097s) started
T12 << 1462321271.16446996 Construct density (450.76884s) stopped
T12 >> 1462321271.17864490 Symmetrize density (0.05090s) started
T12 << 1462321271.17870212 Symmetrize density (0.05096s) stopped
T12 << 1462321271.18080711 Pseudo density (7608.23264s) stopped
T12 >> 1462321271.18086600 Atomic density matrices (1979.92332s) started
T12 << 1462321274.54566789 Atomic density matrices (1983.28812s) stopped
T12 >> 1462321274.54570293 Multipole moments (7.18127s) started
T12 << 1462321274.56059408 Multipole moments (7.19616s) stopped
T12 >> 1462321274.56062698 Normalize (4.05217s) started
T12 << 1462321274.56696701 Normalize (4.05851s) stopped
T12 >> 1462321274.56706905 Mix (252.93220s) started
T12 << 1462321274.99945092 Mix (253.36458s) stopped
T12 << 1462321274.99954104 Density (9856.18740s) stopped
T12 >> 1462321274.99957705 Hamiltonian (29403.86666s) started
T12 >> 1462321274.99959707 vbar (15.99017s) started
T12 << 1462321275.02563500 vbar (16.01621s) stopped
T12 >> 1462321275.02572393 XC 3D grid (16923.17131s) started
T12 >> 1462321275.53904510 van der Waals (16345.42477s) started
T12 >> 1462321275.64205289 semilocal (3452.69527s) started
T12 << 1462321281.40927696 semilocal (3458.46249s) stopped
T12 >> 1462321281.49354696 redistribute (1759.83064s) started
T12 << 1462321282.50636601 redistribute (1760.84346s) stopped
T12 >> 1462321282.50640798 libvdwxc nonlocal (11018.90348s) started
T12 << 1462321301.13275003 libvdwxc nonlocal (11037.52982s) stopped
T12 >> 1462321301.13280201 redistribute (1760.84350s) started
T12 << 1462321302.83531809 redistribute (1762.54601s) stopped
T12 << 1462321302.83636498 van der Waals (16372.72209s) stopped
T12 << 1462321303.30185604 XC 3D grid (16951.44745s) stopped
T12 >> 1462321303.30190897 Poisson (3556.44745s) started
T12 << 1462321307.77863407 Poisson (3560.92418s) stopped
T12 >> 1462321307.77874398 Hartree integrate/restrict (222.34122s) started
T12 << 1462321307.83483911 Hartree integrate/restrict (222.39732s) stopped
T12 >> 1462321307.83495212 Hartree integrate/restrict (222.39740s) started
T12 << 1462321308.13222694 Hartree integrate/restrict (222.69467s) stopped
T12 >> 1462321308.13233089 Atomic (1430.02065s) started
T12 >> 1462321308.13426709 XC Correction (0.01987s) started
T12 << 1462321308.13428593 XC Correction (0.01989s) stopped
T12 << 1462321310.54192209 Atomic (1432.43024s) stopped
T12 >> 1462321310.54206991 Communicate (7255.65925s) started
T12 << 1462321326.68940806 Communicate (7271.80659s) stopped
T12 << 1462321326.68944502 Hamiltonian (29455.55653s) stopped
T12 >> 1462321326.68947005 LCAO eigensolver (41651.91214s) started
T12 >> 1462321326.68948293 Potential matrix (623.16989s) started
T12 << 1462321327.65303612 Potential matrix (624.13345s) stopped
T12 >> 1462321327.65312290 DistributedAtomicCorrection (259.49225s) started
T12 << 1462321328.09066296 DistributedAtomicCorrection (259.92979s) stopped
T12 >> 1462321328.09073091 Distribute overlap matrix (4781.93781s) started
T12 >> 1462321328.09075308 blocked summation (2668.06454s) started
T12 << 1462321332.69987512 blocked summation (2672.67367s) stopped
T12 >> 1462321332.70980597 Scalapack redistribute (2107.57702s) started
T12 << 1462321336.25448298 Scalapack redistribute (2111.12170s) stopped
T12 << 1462321336.25457692 Distribute overlap matrix (4790.10165s) stopped
T12 >> 1462321336.25870109 Blacs Orbital Layouts (34850.20117s) started
T12 >> 1462321336.26738811 General diagonalize (34709.42994s) started
T12 << 1462321390.46658492 General diagonalize (34763.62914s) stopped
T12 >> 1462321390.46663809 Redistribute coefs (5.28979s) started
T12 << 1462321390.47553492 Redistribute coefs (5.29868s) stopped
T12 >> 1462321390.47559690 Send coefs to domains (129.61680s) started
T12 << 1462321390.59683490 Send coefs to domains (129.73804s) stopped
T12 << 1462321390.59737396 Blacs Orbital Layouts (34904.53985s) stopped
T12 >> 1462321390.59740496 Calculate projections (1133.96133s) started
T12 << 1462321392.37740803 Calculate projections (1135.74134s) stopped
T12 << 1462321392.37787199 LCAO eigensolver (41717.60054s) stopped
T12 >> 1462321395.48226905 Density (9856.18742s) started
T12 >> 1462321395.48228502 Pseudo density (7608.23269s) started
T12 >> 1462321395.48524690 Calculate density matrix (7145.38399s) started
T12 << 1462321407.28654790 Calculate density matrix (7157.18529s) stopped
T12 >> 1462321407.28660488 Construct density (450.76889s) started
T12 << 1462321408.05875707 Construct density (451.54104s) stopped
T12 >> 1462321408.07535100 Symmetrize density (0.05098s) started
T12 << 1462321408.07541895 Symmetrize density (0.05105s) stopped
T12 << 1462321408.07793689 Pseudo density (7620.82834s) stopped
T12 >> 1462321408.07800698 Atomic density matrices (1983.28814s) started
T12 << 1462321411.48554492 Atomic density matrices (1986.69568s) stopped
T12 >> 1462321411.48558497 Multipole moments (7.19618s) started
T12 << 1462321411.50042105 Multipole moments (7.21101s) stopped
T12 >> 1462321411.50045609 Normalize (4.05858s) started
T12 << 1462321411.50804305 Normalize (4.06617s) stopped
T12 >> 1462321411.50809693 Mix (253.36467s) started
T12 << 1462321411.93978310 Mix (253.79636s) stopped
T12 << 1462321411.93985200 Density (9872.64500s) stopped
T12 >> 1462321411.93988109 Hamiltonian (29455.55655s) started
T12 >> 1462321411.93989611 vbar (16.01626s) started
T12 << 1462321411.96317506 vbar (16.03954s) stopped
T12 >> 1462321411.96328807 XC 3D grid (16951.44749s) started
T12 >> 1462321412.51345205 van der Waals (16372.72212s) started
T12 >> 1462321412.62876892 semilocal (3458.46258s) started
T12 << 1462321418.42306089 semilocal (3464.25687s) stopped
T12 >> 1462321418.49517989 redistribute (1762.54607s) started
T12 << 1462321419.45510292 redistribute (1763.50599s) stopped
T12 >> 1462321419.45517492 libvdwxc nonlocal (11037.52985s) started
T12 << 1462321437.45449090 libvdwxc nonlocal (11055.52917s) stopped
T12 >> 1462321437.45457411 redistribute (1763.50605s) started
T12 << 1462321439.44080901 redistribute (1765.49229s) stopped
T12 << 1462321439.44177008 van der Waals (16399.65043s) stopped
T12 << 1462321439.90483499 XC 3D grid (16979.38903s) stopped
T12 >> 1462321439.90489411 Poisson (3560.92427s) started
T12 << 1462321442.89684701 Poisson (3563.91622s) stopped
T12 >> 1462321442.89691496 Hartree integrate/restrict (222.69472s) started
T12 << 1462321442.93528199 Hartree integrate/restrict (222.73309s) stopped
T12 >> 1462321442.93536711 Hartree integrate/restrict (222.73315s) started
T12 << 1462321443.29543495 Hartree integrate/restrict (223.09321s) stopped
T12 >> 1462321443.29554796 Atomic (1432.43026s) started
T12 >> 1462321443.29756308 XC Correction (0.01990s) started
T12 << 1462321443.29758000 XC Correction (0.01992s) stopped
T12 << 1462321445.69217491 Atomic (1434.82689s) stopped
T12 >> 1462321445.69233894 Communicate (7271.80662s) started
T12 << 1462321461.75643611 Communicate (7287.87071s) stopped
T12 << 1462321461.75647712 Hamiltonian (29505.37314s) stopped
T12 >> 1462321461.75650406 LCAO eigensolver (41717.60056s) started
T12 >> 1462321461.75651789 Potential matrix (624.13350s) started
T12 << 1462321462.72759891 Potential matrix (625.10458s) stopped
T12 >> 1462321462.72768307 DistributedAtomicCorrection (259.92983s) started
T12 << 1462321463.18470597 DistributedAtomicCorrection (260.38685s) stopped
T12 >> 1462321463.18477893 Distribute overlap matrix (4790.10166s) started
T12 >> 1462321463.18480396 blocked summation (2672.67370s) started
T12 << 1462321467.72377992 blocked summation (2677.21267s) stopped
T12 >> 1462321467.73339510 Scalapack redistribute (2111.12175s) started
T12 << 1462321471.26815295 Scalapack redistribute (2114.65651s) stopped
T12 << 1462321471.26827693 Distribute overlap matrix (4798.18516s) stopped
T12 >> 1462321471.27280211 Blacs Orbital Layouts (34904.53987s) started
T12 >> 1462321471.28125191 General diagonalize (34763.62918s) started
T12 << 1462321525.96839190 General diagonalize (34818.31632s) stopped
T12 >> 1462321525.96844602 Redistribute coefs (5.29873s) started
T12 << 1462321525.97750998 Redistribute coefs (5.30780s) stopped
T12 >> 1462321525.97758007 Send coefs to domains (129.73807s) started
T12 << 1462321526.10365200 Send coefs to domains (129.86415s) stopped
T12 << 1462321526.10404611 Blacs Orbital Layouts (34959.37111s) stopped
T12 >> 1462321526.10407901 Calculate projections (1135.74139s) started
T12 << 1462321527.88330007 Calculate projections (1137.52061s) stopped
T12 << 1462321527.88369489 LCAO eigensolver (41783.72775s) stopped
T12 << 1462321530.99893594 SCF-cycle (83216.82985s) stopped
T12 >> 1462321533.15295005 Force calculation (3770.20520s) started
T12 >> 1462321533.15305996 LCAO forces (3729.33732s) started
T12 >> 1462321533.15345001 Initial (0.00109s) started
T12 << 1462321533.15346193 Initial (0.00110s) stopped
T12 >> 1462321533.16011810 Get density matrix (1951.05040s) started
T12 << 1462321542.31350994 Get density matrix (1960.20379s) stopped
T12 >> 1462321542.31356001 Potential (294.75303s) started
T12 << 1462321548.47492909 Potential (300.91440s) stopped
T12 >> 1462321548.47498798 Get density matrix (1960.20383s) started
T12 << 1462321579.75252509 Get density matrix (1991.48137s) stopped
T12 >> 1462321579.75259304 Prepare TCI loop (103.72473s) started
T12 >> 1462321579.75317407 Get neighbors (93.16662s) started
T12 << 1462321581.79748607 Get neighbors (95.21093s) stopped
T12 >> 1462321581.79863906 broadcast dH (10.50226s) started
T12 << 1462321581.92603302 broadcast dH (10.62966s) stopped
T12 << 1462321581.92608190 Prepare TCI loop (105.89822s) stopped
T12 >> 1462321581.92610312 Not so complicated loop (5.71056s) started
T12 << 1462321582.04955792 Not so complicated loop (5.83402s) stopped
T12 >> 1462321582.17663097 Complicated loop (898.32913s) started
T12 << 1462321601.86687207 Complicated loop (918.01938s) stopped
T12 >> 1462321601.86931205 Wait for sum (469.62757s) started
T12 << 1462321612.00618911 Wait for sum (479.76445s) stopped
T12 << 1462321612.00623012 LCAO forces (3808.19049s) stopped
T12 << 1462321612.89206290 Force calculation (3849.94431s) stopped
T12 >> 1462321612.91016197 Initialization (6264.66902s) started
T12 << 1462321612.91034007 Initialization (6264.66920s) stopped
T12 >> 1462321612.91057992 Initialization (6264.66921s) started
T12 << 1462321612.91071796 Initialization (6264.66935s) stopped
T12 >> 1462321612.91086507 Initialization (6264.66937s) started
T12 << 1462321612.91100001 Initialization (6264.66950s) stopped
T12 >> 1462321633.23909807 Initialization (6264.66952s) started
T12 >> 1462321633.34858108 Basic WFS set positions (4.32007s) started
T12 >> 1462321633.34860706 Redistribute (0.01398s) started
T12 << 1462321633.34873796 Redistribute (0.01411s) stopped
T12 << 1462321633.43822002 Basic WFS set positions (4.40971s) stopped
T12 >> 1462321633.43824697 Basis functions set positions (90.03710s) started
T12 << 1462321635.36750102 Basis functions set positions (91.96635s) stopped
T12 >> 1462321635.36816597 TCI: Calculate S, T, P (749.29615s) started
T12 << 1462321651.37620091 TCI: Calculate S, T, P (765.30418s) stopped
T12 >> 1462321651.37626100 blocked summation (1162.82220s) started
T12 << 1462321680.65416503 blocked summation (1192.10010s) stopped
T12 >> 1462321680.66445708 Scalapack redistribute (445.72593s) started
T12 << 1462321690.46823812 Scalapack redistribute (455.52971s) stopped
T12 >> 1462321690.46926999 blocked summation (1192.10014s) started
T12 << 1462321691.51415610 blocked summation (1193.14502s) stopped
T12 >> 1462321691.52345109 Scalapack redistribute (455.52978s) started
T12 << 1462321691.75564790 Scalapack redistribute (455.76198s) stopped
T12 >> 1462321691.75769591 Redistribute (0.10717s) started
T12 << 1462321691.75823808 Redistribute (0.10771s) stopped
T12 >> 1462321693.52039099 Redistribute (0.10773s) started
T12 << 1462321693.52088809 Redistribute (0.10823s) stopped
T12 >> 1462321693.53806591 LCAO WFS Initialize (3715.74676s) started
T12 >> 1462321693.53813410 Density initialize from wavefunctions (702.71201s) started
T12 >> 1462321693.54298210 Calculate density matrix (486.58772s) started
T12 << 1462321703.38479590 Calculate density matrix (496.42953s) stopped
T12 >> 1462321703.38485599 Construct density (36.92408s) started
T12 << 1462321704.15650702 Construct density (37.69573s) stopped
T12 >> 1462321704.17043996 Symmetrize density (0.00403s) started
T12 << 1462321704.17051792 Symmetrize density (0.00410s) stopped
T12 << 1462321707.92016411 Density initialize from wavefunctions (717.09404s) stopped
T12 >> 1462321707.92046690 Hamiltonian (3012.10585s) started
T12 >> 1462321707.92048502 vbar (1.38214s) started
T12 << 1462321707.94231105 vbar (1.40396s) stopped
T12 >> 1462321707.94242692 XC 3D grid (1425.71556s) started
T12 >> 1462321708.44696903 van der Waals (1377.30476s) started
T12 >> 1462321708.55991411 semilocal (289.67666s) started
T12 << 1462321714.29777694 semilocal (295.41453s) stopped
T12 >> 1462321714.37908602 redistribute (158.26220s) started
T12 << 1462321715.40440607 redistribute (159.28752s) stopped
T12 >> 1462321715.40446591 libvdwxc nonlocal (919.78837s) started
T12 << 1462321733.33395600 libvdwxc nonlocal (937.71786s) stopped
T12 >> 1462321733.33402705 redistribute (159.28755s) started
T12 << 1462321735.28047705 redistribute (161.23400s) stopped
T12 << 1462321735.28158307 van der Waals (1404.13937s) stopped
T12 << 1462321735.74306393 XC 3D grid (1453.51620s) stopped
T12 >> 1462321735.74312806 Poisson (726.87890s) started
T12 << 1462321748.59878898 Poisson (739.73456s) stopped
T12 >> 1462321748.59885502 Hartree integrate/restrict (18.61761s) started
T12 << 1462321748.63927603 Hartree integrate/restrict (18.65803s) stopped
T12 >> 1462321748.63935804 Hartree integrate/restrict (18.65808s) started
T12 << 1462321748.99167109 Hartree integrate/restrict (19.01039s) stopped
T12 >> 1462321748.99177194 Atomic (118.45771s) started
T12 >> 1462321748.99397302 XC Correction (0.00184s) started
T12 << 1462321748.99399495 XC Correction (0.00186s) stopped
T12 << 1462321751.37803793 Atomic (120.84398s) stopped
T12 >> 1462321751.37822890 Communicate (721.00803s) started
T12 << 1462321770.07128906 Communicate (739.70109s) stopped
T12 << 1462321770.07133102 Hamiltonian (3074.25672s) stopped
T12 << 1462321770.07134604 LCAO WFS Initialize (3792.28004s) stopped
T12 << 1462321770.08369207 Initialization (6401.51411s) stopped
T12 >> 1462321770.11032796 SCF-cycle (83216.82987s) started
T12 >> 1462321770.11036611 LCAO eigensolver (41783.72777s) started
T12 >> 1462321770.11037898 Potential matrix (625.10463s) started
T12 << 1462321771.07656193 Potential matrix (626.07081s) stopped
T12 >> 1462321771.07664394 DistributedAtomicCorrection (260.38689s) started
T12 << 1462321771.51258993 DistributedAtomicCorrection (260.82283s) stopped
T12 >> 1462321771.51263905 Distribute overlap matrix (4798.18518s) started
T12 >> 1462321771.51267195 blocked summation (2677.21271s) started
T12 << 1462321775.98610497 blocked summation (2681.68614s) stopped
T12 >> 1462321775.99660802 Scalapack redistribute (2114.65658s) started
T12 << 1462321779.56827903 Scalapack redistribute (2118.22825s) stopped
T12 << 1462321779.56839705 Distribute overlap matrix (4806.24093s) stopped
T12 >> 1462321779.57277393 Blacs Orbital Layouts (34959.37113s) started
T12 >> 1462321779.58142900 General diagonalize (34818.31637s) started
T12 << 1462321832.45017910 General diagonalize (34871.18512s) stopped
T12 >> 1462321832.45023108 Redistribute coefs (5.30785s) started
T12 << 1462321832.45895696 Redistribute coefs (5.31658s) stopped
T12 >> 1462321832.45900798 Send coefs to domains (129.86418s) started
T12 << 1462321832.56793499 Send coefs to domains (129.97311s) stopped
T12 << 1462321832.56845593 Blacs Orbital Layouts (35012.36681s) stopped
T12 >> 1462321832.56848502 Calculate projections (1137.52067s) started
T12 << 1462321834.34676504 Calculate projections (1139.29895s) stopped
T12 << 1462321834.34719801 LCAO eigensolver (41847.96460s) stopped
T12 >> 1462321837.45944309 Density (9872.64501s) started
T12 >> 1462321837.45945907 Pseudo density (7620.82839s) started
T12 >> 1462321837.46171403 Calculate density matrix (7157.18534s) started
T12 << 1462321849.31700993 Calculate density matrix (7169.04064s) stopped
T12 >> 1462321849.31706810 Construct density (451.54110s) started
T12 << 1462321850.08806300 Construct density (452.31210s) stopped
T12 >> 1462321850.10198212 Symmetrize density (0.05107s) started
T12 << 1462321850.10206103 Symmetrize density (0.05115s) stopped
T12 << 1462321850.10403299 Pseudo density (7633.47297s) stopped
T12 >> 1462321850.10410094 Atomic density matrices (1986.69571s) started
T12 << 1462321853.44618201 Atomic density matrices (1990.03779s) stopped
T12 >> 1462321853.44621801 Multipole moments (7.21103s) started
T12 << 1462321853.46165991 Multipole moments (7.22647s) stopped
T12 >> 1462321853.46168399 Normalize (4.06621s) started
T12 << 1462321853.46784902 Normalize (4.07237s) stopped
T12 >> 1462321853.46791506 Mix (253.79643s) started
T12 << 1462321853.81463695 Mix (254.14315s) stopped
T12 << 1462321853.81469607 Density (9889.00027s) stopped
T12 >> 1462321853.81472707 Hamiltonian (29505.37316s) started
T12 >> 1462321853.81474400 vbar (16.03960s) started
T12 << 1462321853.83815098 vbar (16.06301s) stopped
T12 >> 1462321853.83827400 XC 3D grid (16979.38908s) started
T12 >> 1462321854.37861705 van der Waals (16399.65046s) started
T12 >> 1462321854.48747611 semilocal (3464.25693s) started
T12 << 1462321860.28197503 semilocal (3470.05143s) stopped
T12 >> 1462321860.36024904 redistribute (1765.49235s) started
T12 << 1462321861.35023189 redistribute (1766.48233s) stopped
T12 >> 1462321861.35030389 libvdwxc nonlocal (11055.52923s) started
T12 << 1462321879.46015096 libvdwxc nonlocal (11073.63908s) stopped
T12 >> 1462321879.46022701 redistribute (1766.48239s) started
T12 << 1462321881.42855906 redistribute (1768.45072s) stopped
T12 << 1462321881.42973399 van der Waals (16426.70158s) stopped
T12 << 1462321881.89554811 XC 3D grid (17007.44635s) stopped
T12 >> 1462321881.89559889 Poisson (3563.91627s) started
T12 << 1462321886.22183609 Poisson (3568.24251s) stopped
T12 >> 1462321886.22191906 Hartree integrate/restrict (223.09327s) started
T12 << 1462321886.25946498 Hartree integrate/restrict (223.13082s) stopped
T12 >> 1462321886.25954509 Hartree integrate/restrict (223.13087s) started
T12 << 1462321886.59166694 Hartree integrate/restrict (223.46299s) stopped
T12 >> 1462321886.59176397 Atomic (1434.82692s) started
T12 >> 1462321886.59398699 XC Correction (0.01993s) started
T12 << 1462321886.59401011 XC Correction (0.01996s) stopped
T12 << 1462321888.99947691 Atomic (1437.23463s) stopped
T12 >> 1462321888.99967408 Communicate (7287.87074s) started
T12 << 1462321907.65452504 Communicate (7306.52559s) stopped
T12 << 1462321907.65456700 Hamiltonian (29559.21300s) stopped
T12 >> 1462321907.65459394 LCAO eigensolver (41847.96462s) started
T12 >> 1462321907.65460801 Potential matrix (626.07086s) started
T12 << 1462321908.62825704 Potential matrix (627.04451s) stopped
T12 >> 1462321908.62835193 DistributedAtomicCorrection (260.82287s) started
T12 << 1462321909.07265091 DistributedAtomicCorrection (261.26717s) stopped
T12 >> 1462321909.07270002 Distribute overlap matrix (4806.24095s) started
T12 >> 1462321909.07273698 blocked summation (2681.68618s) started
T12 << 1462321913.66016698 blocked summation (2686.27361s) stopped
T12 >> 1462321913.66994810 Scalapack redistribute (2118.22832s) started
T12 << 1462321917.22226691 Scalapack redistribute (2121.78063s) stopped
T12 << 1462321917.22235894 Distribute overlap matrix (4814.39061s) stopped
T12 >> 1462321917.22653008 Blacs Orbital Layouts (35012.36684s) started
T12 >> 1462321917.23535204 General diagonalize (34871.18516s) started
T12 << 1462321971.00366497 General diagonalize (34924.95347s) stopped
T12 >> 1462321971.00372005 Redistribute coefs (5.31662s) started
T12 << 1462321971.01219296 Redistribute coefs (5.32509s) stopped
T12 >> 1462321971.01224208 Send coefs to domains (129.97315s) started
T12 << 1462321971.37220597 Send coefs to domains (130.33311s) stopped
T12 << 1462321971.37262702 Blacs Orbital Layouts (35066.51293s) stopped
T12 >> 1462321971.37265611 Calculate projections (1139.29901s) started
T12 << 1462321973.15200496 Calculate projections (1141.07836s) stopped
T12 << 1462321973.15239501 LCAO eigensolver (41913.46242s) stopped
T12 >> 1462321976.26431394 Density (9889.00028s) started
T12 >> 1462321976.26432991 Pseudo density (7633.47302s) started
T12 >> 1462321976.26625299 Calculate density matrix (7169.04068s) started
T12 << 1462321988.08573794 Calculate density matrix (7180.86017s) stopped
T12 >> 1462321988.08583689 Construct density (452.31216s) started
T12 << 1462321988.85747290 Construct density (453.08380s) stopped
T12 >> 1462321988.87212491 Symmetrize density (0.05116s) started
T12 << 1462321988.87220407 Symmetrize density (0.05124s) stopped
T12 << 1462321988.87418795 Pseudo density (7646.08288s) stopped
T12 >> 1462321988.87425399 Atomic density matrices (1990.03782s) started
T12 << 1462321992.30243707 Atomic density matrices (1993.46600s) stopped
T12 >> 1462321992.30247211 Multipole moments (7.22649s) started
T12 << 1462321992.31745601 Multipole moments (7.24148s) stopped
T12 >> 1462321992.31748104 Normalize (4.07242s) started
T12 << 1462321992.32366490 Normalize (4.07860s) stopped
T12 >> 1462321992.32372594 Mix (254.14320s) started
T12 << 1462321992.66681099 Mix (254.48629s) stopped
T12 << 1462321992.66690993 Density (9905.40288s) stopped
T12 >> 1462321992.66694808 Hamiltonian (29559.21301s) started
T12 >> 1462321992.66696501 vbar (16.06307s) started
T12 << 1462321992.69573307 vbar (16.09184s) stopped
T12 >> 1462321992.69584394 XC 3D grid (17007.44639s) started
T12 >> 1462321993.22417307 van der Waals (16426.70160s) started
T12 >> 1462321993.33609200 semilocal (3470.05152s) started
T12 << 1462321999.15632796 semilocal (3475.87175s) stopped
T12 >> 1462321999.23766899 redistribute (1768.45079s) started
T12 << 1462322000.21138692 redistribute (1769.42450s) stopped
T12 >> 1462322000.21143699 libvdwxc nonlocal (11073.63914s) started
T12 << 1462322018.01272392 libvdwxc nonlocal (11091.44042s) stopped
T12 >> 1462322018.01280403 redistribute (1769.42454s) started
T12 << 1462322019.95987105 redistribute (1771.37161s) stopped
T12 << 1462322019.96110392 van der Waals (16453.43853s) stopped
T12 << 1462322020.42575407 XC 3D grid (17035.17630s) stopped
T12 >> 1462322020.42580390 Poisson (3568.24257s) started
T12 << 1462322031.83118105 Poisson (3579.64794s) stopped
T12 >> 1462322031.83127093 Hartree integrate/restrict (223.46304s) started
T12 << 1462322031.87161207 Hartree integrate/restrict (223.50338s) stopped
T12 >> 1462322031.87171006 Hartree integrate/restrict (223.50344s) started
T12 << 1462322032.22488594 Hartree integrate/restrict (223.85662s) stopped
T12 >> 1462322032.22496891 Atomic (1437.23466s) started
T12 >> 1462322032.22675109 XC Correction (0.01997s) started
T12 << 1462322032.22676611 XC Correction (0.01998s) stopped
T12 << 1462322034.64424706 Atomic (1439.65394s) stopped
T12 >> 1462322034.64443994 Communicate (7306.52562s) started
T12 << 1462322053.38018894 Communicate (7325.26137s) stopped
T12 << 1462322053.38022995 Hamiltonian (29619.92629s) stopped
T12 >> 1462322053.38025689 LCAO eigensolver (41913.46244s) started
T12 >> 1462322053.38027000 Potential matrix (627.04456s) started
T12 << 1462322054.35603189 Potential matrix (628.02032s) stopped
T12 >> 1462322054.35611200 DistributedAtomicCorrection (261.26721s) started
T12 << 1462322054.79595208 DistributedAtomicCorrection (261.70705s) stopped
T12 >> 1462322054.79599905 Distribute overlap matrix (4814.39062s) started
T12 >> 1462322054.79603195 blocked summation (2686.27367s) started
T12 << 1462322059.26545405 blocked summation (2690.74309s) stopped
T12 >> 1462322059.27484298 Scalapack redistribute (2121.78070s) started
T12 << 1462322062.94863796 Scalapack redistribute (2125.45449s) stopped
T12 << 1462322062.94874406 Distribute overlap matrix (4822.54337s) stopped
T12 >> 1462322062.95280409 Blacs Orbital Layouts (35066.51295s) started
T12 >> 1462322062.96132398 General diagonalize (34924.95352s) started
T12 << 1462322118.43232489 General diagonalize (34980.42452s) stopped
T12 >> 1462322118.43237710 Redistribute coefs (5.32513s) started
T12 << 1462322118.44072604 Redistribute coefs (5.33348s) stopped
T12 >> 1462322118.44079709 Send coefs to domains (130.33316s) started
T12 << 1462322118.71716404 Send coefs to domains (130.60952s) stopped
T12 << 1462322118.71752691 Blacs Orbital Layouts (35122.27768s) stopped
T12 >> 1462322118.71755600 Calculate projections (1141.07842s) started
T12 << 1462322120.49702907 Calculate projections (1142.85789s) stopped
T12 << 1462322120.49723601 LCAO eigensolver (41980.57942s) stopped
T12 >> 1462322123.60690689 Density (9905.40289s) started
T12 >> 1462322123.60692310 Pseudo density (7646.08293s) started
T12 >> 1462322123.60883904 Calculate density matrix (7180.86025s) started
T12 << 1462322135.45532489 Calculate density matrix (7192.70674s) stopped
T12 >> 1462322135.45538092 Construct density (453.08385s) started
T12 << 1462322136.22875094 Construct density (453.85722s) stopped
T12 >> 1462322136.24395490 Symmetrize density (0.05126s) started
T12 << 1462322136.24403310 Symmetrize density (0.05134s) stopped
T12 << 1462322136.24603295 Pseudo density (7658.72204s) stopped
T12 >> 1462322136.24610090 Atomic density matrices (1993.46603s) started
T12 << 1462322139.68592501 Atomic density matrices (1996.90586s) stopped
T12 >> 1462322139.68596101 Multipole moments (7.24149s) started
T12 << 1462322139.70142508 Multipole moments (7.25696s) stopped
T12 >> 1462322139.70145988 Normalize (4.07865s) started
T12 << 1462322139.70768404 Normalize (4.08487s) stopped
T12 >> 1462322139.70773411 Mix (254.48639s) started
T12 << 1462322140.09512496 Mix (254.87378s) stopped
T12 << 1462322140.09516096 Density (9921.89115s) stopped
T12 >> 1462322140.09518790 Hamiltonian (29619.92630s) started
T12 >> 1462322140.09520292 vbar (16.09190s) started
T12 << 1462322140.11708808 vbar (16.11379s) stopped
T12 >> 1462322140.11720395 XC 3D grid (17035.17634s) started
T12 >> 1462322140.62092805 van der Waals (16453.43857s) started
T12 >> 1462322140.73166203 semilocal (3475.87183s) started
T12 << 1462322146.55904889 semilocal (3481.69921s) stopped
T12 >> 1462322146.63536406 redistribute (1771.37167s) started
T12 << 1462322147.58607101 redistribute (1772.32238s) stopped
T12 >> 1462322147.58613801 libvdwxc nonlocal (11091.44048s) started
T12 << 1462322166.24809504 libvdwxc nonlocal (11110.10244s) stopped
T12 >> 1462322166.24814701 redistribute (1772.32243s) started
T12 << 1462322168.29739094 redistribute (1774.37167s) stopped
T12 << 1462322168.29824209 van der Waals (16481.11588s) stopped
T12 << 1462322168.76274610 XC 3D grid (17063.82188s) stopped
T12 >> 1462322168.76280689 Poisson (3579.64801s) started
T12 << 1462322174.69210792 Poisson (3585.57731s) stopped
T12 >> 1462322174.69219494 Hartree integrate/restrict (223.85665s) started
T12 << 1462322174.73256302 Hartree integrate/restrict (223.89702s) stopped
T12 >> 1462322174.73265290 Hartree integrate/restrict (223.89708s) started
T12 << 1462322175.10471296 Hartree integrate/restrict (224.26914s) stopped
T12 >> 1462322175.10481596 Atomic (1439.65396s) started
T12 >> 1462322175.10666800 XC Correction (0.02000s) started
T12 << 1462322175.10668492 XC Correction (0.02001s) stopped
T12 << 1462322177.51394010 Atomic (1442.06309s) stopped
T12 >> 1462322177.51412892 Communicate (7325.26140s) started
T12 << 1462322196.20548892 Communicate (7343.95276s) stopped
T12 << 1462322196.20553207 Hamiltonian (29676.03665s) stopped
T12 >> 1462322196.20555806 LCAO eigensolver (41980.57944s) started
T12 >> 1462322196.20557189 Potential matrix (628.02037s) started
T12 << 1462322197.17370391 Potential matrix (628.98850s) stopped
T12 >> 1462322197.17378497 DistributedAtomicCorrection (261.70709s) started
T12 << 1462322197.62407804 DistributedAtomicCorrection (262.15738s) stopped
T12 >> 1462322197.62412596 Distribute overlap matrix (4822.54338s) started
T12 >> 1462322197.62416601 blocked summation (2690.74313s) started
T12 << 1462322202.11023402 blocked summation (2695.22919s) stopped
T12 >> 1462322202.11998606 Scalapack redistribute (2125.45457s) started
T12 << 1462322205.68604898 Scalapack redistribute (2129.02063s) stopped
T12 << 1462322205.68614507 Distribute overlap matrix (4830.60540s) stopped
T12 >> 1462322205.69096708 Blacs Orbital Layouts (35122.27769s) started
T12 >> 1462322205.69991803 General diagonalize (34980.42457s) started
T12 << 1462322260.28926206 General diagonalize (35035.01391s) stopped
T12 >> 1462322260.28936505 Redistribute coefs (5.33353s) started
T12 << 1462322260.29780197 Redistribute coefs (5.34197s) stopped
T12 >> 1462322260.29787707 Send coefs to domains (130.60956s) started
T12 << 1462322260.71319795 Send coefs to domains (131.02488s) stopped
T12 << 1462322260.71356511 Blacs Orbital Layouts (35177.30029s) stopped
T12 >> 1462322260.71359706 Calculate projections (1142.85795s) started
T12 << 1462322262.49317908 Calculate projections (1144.63753s) stopped
T12 << 1462322262.49357700 LCAO eigensolver (42046.86746s) stopped
T12 >> 1462322265.59752798 Density (9921.89116s) started
T12 >> 1462322265.59754395 Pseudo density (7658.72209s) started
T12 >> 1462322265.59938192 Calculate density matrix (7192.70679s) started
T12 << 1462322277.37990999 Calculate density matrix (7204.48731s) stopped
T12 >> 1462322277.37996793 Construct density (453.85728s) started
T12 << 1462322278.15493703 Construct density (454.63225s) stopped
T12 >> 1462322278.17005992 Symmetrize density (0.05136s) started
T12 << 1462322278.17013907 Symmetrize density (0.05144s) stopped
T12 << 1462322278.17213607 Pseudo density (7671.29669s) stopped
T12 >> 1462322278.17220592 Atomic density matrices (1996.90588s) started
T12 << 1462322281.58090091 Atomic density matrices (2000.31458s) stopped
T12 >> 1462322281.58094192 Multipole moments (7.25697s) started
T12 << 1462322281.59638000 Multipole moments (7.27241s) stopped
T12 >> 1462322281.59641695 Normalize (4.08490s) started
T12 << 1462322281.60275602 Normalize (4.09124s) stopped
T12 >> 1462322281.60281706 Mix (254.87381s) started
T12 << 1462322282.02734494 Mix (255.29834s) stopped
T12 << 1462322282.02742410 Density (9938.32106s) stopped
T12 >> 1462322282.02745605 Hamiltonian (29676.03666s) started
T12 >> 1462322282.02747202 vbar (16.11385s) started
T12 << 1462322282.05141306 vbar (16.13780s) stopped
T12 >> 1462322282.05155206 XC 3D grid (17063.82193s) started
T12 >> 1462322282.54858589 van der Waals (16481.11590s) started
T12 >> 1462322282.65946698 semilocal (3481.69931s) started
T12 << 1462322288.40227795 semilocal (3487.44212s) stopped
T12 >> 1462322288.48050404 redistribute (1774.37173s) started
T12 << 1462322289.50995207 redistribute (1775.40118s) stopped
T12 >> 1462322289.51000309 libvdwxc nonlocal (11110.10248s) started
T12 << 1462322307.53734708 libvdwxc nonlocal (11128.12982s) stopped
T12 >> 1462322307.53739905 redistribute (1775.40122s) started
T12 << 1462322309.52616000 redistribute (1777.38998s) stopped
T12 << 1462322309.52720690 van der Waals (16508.09452s) stopped
T12 << 1462322309.99086595 XC 3D grid (17091.76125s) stopped
T12 >> 1462322309.99094105 Poisson (3585.57737s) started
T12 << 1462322315.72132301 Poisson (3591.30775s) stopped
T12 >> 1462322315.72141194 Hartree integrate/restrict (224.26919s) started
T12 << 1462322315.75998402 Hartree integrate/restrict (224.30776s) stopped
T12 >> 1462322315.76012897 Hartree integrate/restrict (224.30786s) started
T12 << 1462322316.08711195 Hartree integrate/restrict (224.63485s) stopped
T12 >> 1462322316.08722091 Atomic (1442.06311s) started
T12 >> 1462322316.08912110 XC Correction (0.02002s) started
T12 << 1462322316.08913589 XC Correction (0.02004s) stopped
T12 << 1462322318.49766803 Atomic (1444.47356s) stopped
T12 >> 1462322318.49786401 Communicate (7343.95279s) started
T12 << 1462322336.64190793 Communicate (7362.09683s) stopped
T12 << 1462322336.64195108 Hamiltonian (29730.65115s) stopped
T12 >> 1462322336.64197803 LCAO eigensolver (42046.86748s) started
T12 >> 1462322336.64199209 Potential matrix (628.98854s) started
T12 << 1462322337.62403393 Potential matrix (629.97058s) stopped
T12 >> 1462322337.62411594 DistributedAtomicCorrection (262.15742s) started
T12 << 1462322338.07476592 DistributedAtomicCorrection (262.60807s) stopped
T12 >> 1462322338.07481408 Distribute overlap matrix (4830.60541s) started
T12 >> 1462322338.07485509 blocked summation (2695.22925s) started
T12 << 1462322342.59201503 blocked summation (2699.74641s) stopped
T12 >> 1462322342.60135603 Scalapack redistribute (2129.02069s) started
T12 << 1462322346.15812492 Scalapack redistribute (2132.57746s) stopped
T12 << 1462322346.15824509 Distribute overlap matrix (4838.68884s) stopped
T12 >> 1462322346.16230202 Blacs Orbital Layouts (35177.30031s) started
T12 >> 1462322346.17073107 General diagonalize (35035.01399s) started
T12 << 1462322401.63377404 General diagonalize (35090.47704s) stopped
T12 >> 1462322401.63382792 Redistribute coefs (5.34203s) started
T12 << 1462322401.64234090 Redistribute coefs (5.35054s) stopped
T12 >> 1462322401.64241004 Send coefs to domains (131.02493s) started
T12 << 1462322401.94293690 Send coefs to domains (131.32546s) stopped
T12 << 1462322401.94328094 Blacs Orbital Layouts (35233.08129s) stopped
T12 >> 1462322401.94331288 Calculate projections (1144.63759s) started
T12 << 1462322403.72157001 Calculate projections (1146.41584s) stopped
T12 << 1462322403.72177792 LCAO eigensolver (42113.94728s) stopped
T12 >> 1462322406.82204390 Density (9938.32107s) started
T12 >> 1462322406.82206106 Pseudo density (7671.29674s) started
T12 >> 1462322406.82421088 Calculate density matrix (7204.48736s) started
T12 << 1462322418.60026789 Calculate density matrix (7216.26341s) stopped
T12 >> 1462322418.60032511 Construct density (454.63230s) started
T12 << 1462322419.37342191 Construct density (455.40540s) stopped
T12 >> 1462322419.38850403 Symmetrize density (0.05146s) started
T12 << 1462322419.38857889 Symmetrize density (0.05153s) stopped
T12 << 1462322419.39056611 Pseudo density (7683.86525s) stopped
T12 >> 1462322419.39063406 Atomic density matrices (2000.31461s) started
T12 << 1462322422.80575109 Atomic density matrices (2003.72973s) stopped
T12 >> 1462322422.80578899 Multipole moments (7.27243s) started
T12 << 1462322422.82068205 Multipole moments (7.28732s) stopped
T12 >> 1462322422.82071590 Normalize (4.09129s) started
T12 << 1462322422.82706904 Normalize (4.09764s) stopped
T12 >> 1462322422.82712698 Mix (255.29842s) started
T12 << 1462322423.22990489 Mix (255.70120s) stopped
T12 << 1462322423.23000002 Density (9954.72903s) stopped
T12 >> 1462322423.23003888 Hamiltonian (29730.65117s) started
T12 >> 1462322423.23005891 vbar (16.13787s) started
T12 << 1462322423.25897098 vbar (16.16678s) stopped
T12 >> 1462322423.25909710 XC 3D grid (17091.76131s) started
T12 >> 1462322423.80323505 van der Waals (16508.09455s) started
T12 >> 1462322423.91534901 semilocal (3487.44222s) started
T12 << 1462322429.70780301 semilocal (3493.23467s) stopped
T12 >> 1462322429.78506303 redistribute (1777.39004s) started
T12 << 1462322430.81761003 redistribute (1778.42259s) stopped
T12 >> 1462322430.81767607 libvdwxc nonlocal (11128.12986s) started
T12 << 1462322449.38592696 libvdwxc nonlocal (11146.69811s) stopped
T12 >> 1462322449.38600802 redistribute (1778.42263s) started
T12 << 1462322451.58371711 redistribute (1780.62034s) stopped
T12 << 1462322451.58489799 van der Waals (16535.87622s) stopped
T12 << 1462322452.04916406 XC 3D grid (17120.55137s) stopped
T12 >> 1462322452.04921103 Poisson (3591.30782s) started
T12 << 1462322457.90012503 Poisson (3597.15873s) stopped
T12 >> 1462322457.90020490 Hartree integrate/restrict (224.63490s) started
T12 << 1462322457.93763590 Hartree integrate/restrict (224.67233s) stopped
T12 >> 1462322457.93772006 Hartree integrate/restrict (224.67238s) started
T12 << 1462322458.35831499 Hartree integrate/restrict (225.09298s) stopped
T12 >> 1462322458.35840201 Atomic (1444.47358s) started
T12 >> 1462322458.36036491 XC Correction (0.02005s) started
T12 << 1462322458.36038494 XC Correction (0.02007s) stopped
T12 << 1462322460.74845099 Atomic (1446.86363s) stopped
T12 >> 1462322460.74864006 Communicate (7362.09686s) started
T12 << 1462322478.41543198 Communicate (7379.76365s) stopped
T12 << 1462322478.41547704 Hamiltonian (29785.83661s) stopped
T12 >> 1462322478.41550398 LCAO eigensolver (42113.94730s) started
T12 >> 1462322478.41551805 Potential matrix (629.97063s) started
T12 << 1462322479.39967799 Potential matrix (630.95479s) stopped
T12 >> 1462322479.39975905 DistributedAtomicCorrection (262.60811s) started
T12 << 1462322479.84908795 DistributedAtomicCorrection (263.05744s) stopped
T12 >> 1462322479.84915709 Distribute overlap matrix (4838.68886s) started
T12 >> 1462322479.84918189 blocked summation (2699.74647s) started
T12 << 1462322484.32891512 blocked summation (2704.22620s) stopped
T12 >> 1462322484.33898997 Scalapack redistribute (2132.57755s) started
T12 << 1462322487.94735289 Scalapack redistribute (2136.18591s) stopped
T12 << 1462322487.94745708 Distribute overlap matrix (4846.78716s) stopped
T12 >> 1462322487.95147991 Blacs Orbital Layouts (35233.08131s) started
T12 >> 1462322487.96050811 General diagonalize (35090.47708s) started
T12 << 1462322540.78181100 General diagonalize (35143.29838s) stopped
T12 >> 1462322540.78186989 Redistribute coefs (5.35060s) started
T12 << 1462322540.79049897 Redistribute coefs (5.35923s) stopped
T12 >> 1462322540.79056692 Send coefs to domains (131.32550s) started
T12 << 1462322540.98429489 Send coefs to domains (131.51923s) stopped
T12 << 1462322540.98487806 Blacs Orbital Layouts (35286.11471s) stopped
T12 >> 1462322540.98491311 Calculate projections (1146.41590s) started
T12 << 1462322542.76317501 Calculate projections (1148.19416s) stopped
T12 << 1462322542.76356196 LCAO eigensolver (42178.29536s) stopped
T12 >> 1462322545.86166096 Density (9954.72905s) started
T12 >> 1462322545.86167693 Pseudo density (7683.86530s) started
T12 >> 1462322545.86400008 Calculate density matrix (7216.26346s) started
T12 << 1462322557.65835810 Calculate density matrix (7228.05781s) stopped
T12 >> 1462322557.65841603 Construct density (455.40546s) started
T12 << 1462322558.43218398 Construct density (456.17923s) stopped
T12 >> 1462322558.44723606 Symmetrize density (0.05156s) started
T12 << 1462322558.44731402 Symmetrize density (0.05163s) stopped
T12 << 1462322558.44928288 Pseudo density (7696.45291s) stopped
T12 >> 1462322558.44935203 Atomic density matrices (2003.72976s) started
T12 << 1462322561.82773995 Atomic density matrices (2007.10815s) stopped
T12 >> 1462322561.82777810 Multipole moments (7.28734s) started
T12 << 1462322561.84326005 Multipole moments (7.30282s) stopped
T12 >> 1462322561.84329295 Normalize (4.09768s) started
T12 << 1462322561.84961510 Normalize (4.10401s) stopped
T12 >> 1462322561.84968305 Mix (255.70129s) started
T12 << 1462322562.27175689 Mix (256.12336s) stopped
T12 << 1462322562.27180791 Density (9971.13919s) stopped
T12 >> 1462322562.27184105 Hamiltonian (29785.83662s) started
T12 >> 1462322562.27185798 vbar (16.16686s) started
T12 << 1462322562.30082989 vbar (16.19583s) stopped
T12 >> 1462322562.30096006 XC 3D grid (17120.55141s) started
T12 >> 1462322562.82068992 van der Waals (16535.87625s) started
T12 >> 1462322562.93032598 semilocal (3493.23480s) started
T12 << 1462322568.74851704 semilocal (3499.05299s) stopped
T12 >> 1462322568.82315302 redistribute (1780.62040s) started
T12 << 1462322569.78555107 redistribute (1781.58280s) stopped
T12 >> 1462322569.78560209 libvdwxc nonlocal (11146.69817s) started
T12 << 1462322587.88431311 libvdwxc nonlocal (11164.79688s) stopped
T12 >> 1462322587.88437009 redistribute (1781.58284s) started
T12 << 1462322589.86583900 redistribute (1783.56431s) stopped
T12 << 1462322589.86679792 van der Waals (16562.92236s) stopped
T12 << 1462322590.32642007 XC 3D grid (17148.57687s) stopped
T12 >> 1462322590.32648492 Poisson (3597.15879s) started
T12 << 1462322594.66705894 Poisson (3601.49937s) stopped
T12 >> 1462322594.66720605 Hartree integrate/restrict (225.09302s) started
T12 << 1462322594.70743704 Hartree integrate/restrict (225.13325s) stopped
T12 >> 1462322594.70759201 Hartree integrate/restrict (225.13335s) started
T12 << 1462322595.04337597 Hartree integrate/restrict (225.46914s) stopped
T12 >> 1462322595.04346299 Atomic (1446.86366s) started
T12 >> 1462322595.04540205 XC Correction (0.02008s) started
T12 << 1462322595.04541612 XC Correction (0.02010s) stopped
T12 << 1462322597.45655704 Atomic (1449.27675s) stopped
T12 >> 1462322597.45674300 Communicate (7379.76368s) started
T12 << 1462322615.18285894 Communicate (7397.48980s) stopped
T12 << 1462322615.18289995 Hamiltonian (29838.74768s) stopped
T12 >> 1462322615.18292689 LCAO eigensolver (42178.29538s) started
T12 >> 1462322615.18294001 Potential matrix (630.95483s) started
T12 << 1462322616.15384603 Potential matrix (631.92574s) stopped
T12 >> 1462322616.15393090 DistributedAtomicCorrection (263.05748s) started
T12 << 1462322616.60539103 DistributedAtomicCorrection (263.50894s) stopped
T12 >> 1462322616.60545897 Distribute overlap matrix (4846.78717s) started
T12 >> 1462322616.60548306 blocked summation (2704.22626s) started
T12 << 1462322621.11697102 blocked summation (2708.73774s) stopped
T12 >> 1462322621.12711096 Scalapack redistribute (2136.18597s) started
T12 << 1462322624.73915792 Scalapack redistribute (2139.79802s) stopped
T12 << 1462322624.73926497 Distribute overlap matrix (4854.92098s) stopped
T12 >> 1462322624.74399900 Blacs Orbital Layouts (35286.11473s) started
T12 >> 1462322624.75285006 General diagonalize (35143.29843s) started
T12 << 1462322681.21374989 General diagonalize (35199.75933s) stopped
T12 >> 1462322681.21383905 Redistribute coefs (5.35928s) started
T12 << 1462322681.22187495 Redistribute coefs (5.36732s) stopped
T12 >> 1462322681.22191596 Send coefs to domains (131.51927s) started
T12 << 1462322681.34281397 Send coefs to domains (131.64017s) stopped
T12 << 1462322681.34336495 Blacs Orbital Layouts (35342.71410s) stopped
T12 >> 1462322681.34339309 Calculate projections (1148.19422s) started
T12 << 1462322683.11180711 Calculate projections (1149.96263s) stopped
T12 << 1462322683.11229300 LCAO eigensolver (42246.22474s) stopped
T12 >> 1462322686.24504900 Density (9971.13921s) started
T12 >> 1462322686.24506402 Pseudo density (7696.45296s) started
T12 >> 1462322686.24780989 Calculate density matrix (7228.05785s) started
T12 << 1462322698.12642789 Calculate density matrix (7239.93647s) stopped
T12 >> 1462322698.12647700 Construct density (456.17929s) started
T12 << 1462322698.89897203 Construct density (456.95178s) stopped
T12 >> 1462322698.91534209 Symmetrize density (0.05165s) started
T12 << 1462322698.91540790 Symmetrize density (0.05172s) stopped
T12 << 1462322698.91789198 Pseudo density (7709.12579s) stopped
T12 >> 1462322698.91794896 Atomic density matrices (2007.10817s) started
T12 << 1462322702.24788809 Atomic density matrices (2010.43811s) stopped
T12 >> 1462322702.24792194 Multipole moments (7.30284s) started
T12 << 1462322702.26346993 Multipole moments (7.31839s) stopped
T12 >> 1462322702.26350093 Normalize (4.10405s) started
T12 << 1462322702.27269602 Normalize (4.11325s) stopped
T12 >> 1462322702.27275610 Mix (256.12341s) started
T12 << 1462322702.75297809 Mix (256.60363s) stopped
T12 << 1462322702.75305009 Density (9987.64721s) stopped
T12 >> 1462322702.75308394 Hamiltonian (29838.74769s) started
T12 >> 1462322702.75310111 vbar (16.19590s) started
T12 << 1462322702.78281999 vbar (16.22562s) stopped
T12 >> 1462322702.78297210 XC 3D grid (17148.57693s) started
T12 >> 1462322703.29258895 van der Waals (16562.92238s) started
T12 >> 1462322703.40101910 semilocal (3499.05308s) started
T12 << 1462322709.15238309 semilocal (3504.80444s) stopped
T12 >> 1462322709.23179102 redistribute (1783.56437s) started
T12 << 1462322710.27267694 redistribute (1784.60525s) stopped
T12 >> 1462322710.27272701 libvdwxc nonlocal (11164.79693s) started
T12 << 1462322728.25953507 libvdwxc nonlocal (11182.78373s) stopped
T12 >> 1462322728.25959897 redistribute (1784.60529s) started
T12 << 1462322730.31747198 redistribute (1786.66317s) stopped
T12 << 1462322730.31852698 van der Waals (16589.94832s) stopped
T12 << 1462322730.78003407 XC 3D grid (17176.57399s) stopped
T12 >> 1462322730.78008294 Poisson (3601.49948s) started
T12 << 1462322735.10063100 Poisson (3605.82002s) stopped
T12 >> 1462322735.10072803 Hartree integrate/restrict (225.46918s) started
T12 << 1462322735.13833594 Hartree integrate/restrict (225.50678s) stopped
T12 >> 1462322735.13841295 Hartree integrate/restrict (225.50683s) started
T12 << 1462322735.44448495 Hartree integrate/restrict (225.81291s) stopped
T12 >> 1462322735.44458389 Atomic (1449.27678s) started
T12 >> 1462322735.44648290 XC Correction (0.02011s) started
T12 << 1462322735.44649792 XC Correction (0.02012s) stopped
T12 << 1462322737.88628888 Atomic (1451.71848s) stopped
T12 >> 1462322737.88649106 Communicate (7397.48983s) started
T12 << 1462322755.52331495 Communicate (7415.12665s) stopped
T12 << 1462322755.52335095 Hamiltonian (29891.51796s) stopped
T12 >> 1462322755.52337599 LCAO eigensolver (42246.22476s) started
T12 >> 1462322755.52338910 Potential matrix (631.92579s) started
T12 << 1462322756.48339391 Potential matrix (632.88579s) stopped
T12 >> 1462322756.48348999 DistributedAtomicCorrection (263.50898s) started
T12 << 1462322756.92700410 DistributedAtomicCorrection (263.95250s) stopped
T12 >> 1462322756.92706704 Distribute overlap matrix (4854.92099s) started
T12 >> 1462322756.92709208 blocked summation (2708.73780s) started
T12 << 1462322761.49759412 blocked summation (2713.30830s) stopped
T12 >> 1462322761.50716591 Scalapack redistribute (2139.79808s) started
T12 << 1462322765.13917494 Scalapack redistribute (2143.43009s) stopped
T12 << 1462322765.13930392 Distribute overlap matrix (4863.13323s) stopped
T12 >> 1462322765.14524603 Blacs Orbital Layouts (35342.71412s) started
T12 >> 1462322765.15458608 General diagonalize (35199.75941s) started
T12 << 1462322821.64922309 General diagonalize (35256.25405s) stopped
T12 >> 1462322821.64927506 Redistribute coefs (5.36735s) started
T12 << 1462322821.65765905 Redistribute coefs (5.37573s) stopped
T12 >> 1462322821.65773010 Send coefs to domains (131.64020s) started
T12 << 1462322821.74563289 Send coefs to domains (131.72810s) stopped
T12 << 1462322821.74614501 Blacs Orbital Layouts (35399.31502s) stopped
T12 >> 1462322821.74617505 Calculate projections (1149.96269s) started
T12 << 1462322823.52648211 Calculate projections (1151.74300s) stopped
T12 << 1462322823.52686810 LCAO eigensolver (42314.22825s) stopped
T12 >> 1462322826.64536810 Density (9987.64722s) started
T12 >> 1462322826.64538407 Pseudo density (7709.12583s) started
T12 >> 1462322826.64738107 Calculate density matrix (7239.93650s) started
T12 << 1462322838.37964392 Calculate density matrix (7251.66877s) stopped
T12 >> 1462322838.37969995 Construct density (456.95183s) started
T12 << 1462322839.15161800 Construct density (457.72375s) stopped
T12 >> 1462322839.16586304 Symmetrize density (0.05174s) started
T12 << 1462322839.16593909 Symmetrize density (0.05181s) stopped
T12 << 1462322839.16804910 Pseudo density (7721.64850s) stopped
T12 >> 1462322839.16811800 Atomic density matrices (2010.43814s) started
T12 << 1462322842.66155601 Atomic density matrices (2013.93158s) stopped
T12 >> 1462322842.66159391 Multipole moments (7.31840s) started
T12 << 1462322842.67704010 Multipole moments (7.33385s) stopped
T12 >> 1462322842.67707396 Normalize (4.11330s) started
T12 << 1462322842.68353605 Normalize (4.11976s) stopped
T12 >> 1462322842.68363190 Mix (256.60370s) started
T12 << 1462322843.13533998 Mix (257.05541s) stopped
T12 << 1462322843.13545394 Density (10004.13731s) stopped
T12 >> 1462322843.13549805 Hamiltonian (29891.51798s) started
T12 >> 1462322843.13551688 vbar (16.22571s) started
T12 << 1462322843.17032504 vbar (16.26052s) stopped
T12 >> 1462322843.17042494 XC 3D grid (17176.57402s) started
T12 >> 1462322843.75889993 van der Waals (16589.94834s) started
T12 >> 1462322843.86839795 semilocal (3504.80457s) started
T12 << 1462322849.63591099 semilocal (3510.57208s) stopped
T12 >> 1462322849.71709895 redistribute (1786.66323s) started
T12 << 1462322850.76890111 redistribute (1787.71503s) stopped
T12 >> 1462322850.76895094 libvdwxc nonlocal (11182.78378s) started
T12 << 1462322868.63450193 libvdwxc nonlocal (11200.64933s) stopped
T12 >> 1462322868.63458490 redistribute (1787.71507s) started
T12 << 1462322870.64767504 redistribute (1789.72816s) stopped
T12 << 1462322870.64873695 van der Waals (16616.83818s) stopped
T12 << 1462322871.11836100 XC 3D grid (17204.52196s) stopped
T12 >> 1462322871.11841106 Poisson (3605.82010s) started
T12 << 1462322875.46713996 Poisson (3610.16882s) stopped
T12 >> 1462322875.46723890 Hartree integrate/restrict (225.81296s) started
T12 << 1462322875.50876093 Hartree integrate/restrict (225.85448s) stopped
T12 >> 1462322875.50884700 Hartree integrate/restrict (225.85454s) started
T12 << 1462322875.82816911 Hartree integrate/restrict (226.17386s) stopped
T12 >> 1462322875.82824898 Atomic (1451.71853s) started
T12 >> 1462322875.83007598 XC Correction (0.02013s) started
T12 << 1462322875.83009100 XC Correction (0.02015s) stopped
T12 << 1462322878.23271298 Atomic (1454.12300s) stopped
T12 >> 1462322878.23288989 Communicate (7415.12667s) started
T12 << 1462322895.90037107 Communicate (7432.79416s) stopped
T12 << 1462322895.90041494 Hamiltonian (29944.28289s) stopped
T12 >> 1462322895.90044308 LCAO eigensolver (42314.22827s) started
T12 >> 1462322895.90045691 Potential matrix (632.88585s) started
T12 << 1462322896.87254500 Potential matrix (633.85793s) stopped
T12 >> 1462322896.87264204 DistributedAtomicCorrection (263.95254s) started
T12 << 1462322897.32185793 DistributedAtomicCorrection (264.40175s) stopped
T12 >> 1462322897.32192492 Distribute overlap matrix (4863.13324s) started
T12 >> 1462322897.32195091 blocked summation (2713.30834s) started
T12 << 1462322901.78874397 blocked summation (2717.77513s) stopped
T12 >> 1462322901.79871607 Scalapack redistribute (2143.43017s) started
T12 << 1462322905.49274802 Scalapack redistribute (2147.12420s) stopped
T12 << 1462322905.49285698 Distribute overlap matrix (4871.30417s) stopped
T12 >> 1462322905.49771905 Blacs Orbital Layouts (35399.31504s) started
T12 >> 1462322905.50726509 General diagonalize (35256.25409s) started
T12 << 1462322959.38737011 General diagonalize (35310.13420s) stopped
T12 >> 1462322959.38742399 Redistribute coefs (5.37579s) started
T12 << 1462322959.39592409 Redistribute coefs (5.38429s) stopped
T12 >> 1462322959.39599609 Send coefs to domains (131.72814s) started
T12 << 1462322959.66743708 Send coefs to domains (131.99958s) stopped
T12 << 1462322959.66798592 Blacs Orbital Layouts (35453.48530s) stopped
T12 >> 1462322959.66801500 Calculate projections (1151.74305s) started
T12 << 1462322961.43730307 Calculate projections (1153.51234s) stopped
T12 << 1462322961.43777394 LCAO eigensolver (42379.76560s) stopped
T12 >> 1462322964.56816006 Density (10004.13732s) started
T12 >> 1462322964.56817794 Pseudo density (7721.64855s) started
T12 >> 1462322964.57060790 Calculate density matrix (7251.66881s) started
T12 << 1462322976.35436511 Calculate density matrix (7263.45256s) stopped
T12 >> 1462322976.35441399 Construct density (457.72381s) started
T12 << 1462322977.12641597 Construct density (458.49581s) stopped
T12 >> 1462322977.14286995 Symmetrize density (0.05183s) started
T12 << 1462322977.14293504 Symmetrize density (0.05189s) stopped
T12 << 1462322977.14537191 Pseudo density (7734.22575s) stopped
T12 >> 1462322977.14543200 Atomic density matrices (2013.93160s) started
T12 << 1462322980.53297305 Atomic density matrices (2017.31914s) stopped
T12 >> 1462322980.53300691 Multipole moments (7.33387s) started
T12 << 1462322980.54856396 Multipole moments (7.34942s) stopped
T12 >> 1462322980.54859495 Normalize (4.11982s) started
T12 << 1462322980.55542493 Normalize (4.12665s) stopped
T12 >> 1462322980.55546308 Mix (257.05552s) started
T12 << 1462322980.99513006 Mix (257.49519s) stopped
T12 << 1462322980.99519610 Density (10020.56436s) stopped
T12 >> 1462322980.99522305 Hamiltonian (29944.28291s) started
T12 >> 1462322980.99523902 vbar (16.26057s) started
T12 << 1462322981.01999903 vbar (16.28533s) stopped
T12 >> 1462322981.02006602 XC 3D grid (17204.52200s) started
T12 >> 1462322981.51631308 van der Waals (16616.83821s) started
T12 >> 1462322981.63159800 semilocal (3510.57220s) started
T12 << 1462322987.47373796 semilocal (3516.41434s) stopped
T12 >> 1462322987.55189204 redistribute (1789.72822s) started
T12 << 1462322988.50236201 redistribute (1790.67869s) stopped
T12 >> 1462322988.50240397 libvdwxc nonlocal (11200.64940s) started
T12 << 1462323007.14119101 libvdwxc nonlocal (11219.28818s) stopped
T12 >> 1462323007.14125490 redistribute (1790.67872s) started
T12 << 1462323008.83483005 redistribute (1792.37230s) stopped
T12 << 1462323008.83580589 van der Waals (16644.15770s) stopped
T12 << 1462323009.29780412 XC 3D grid (17232.79974s) stopped
T12 >> 1462323009.29788995 Poisson (3610.16890s) started
T12 << 1462323013.72225094 Poisson (3614.59326s) stopped
T12 >> 1462323013.72237492 Hartree integrate/restrict (226.17389s) started
T12 << 1462323013.76752710 Hartree integrate/restrict (226.21905s) stopped
T12 >> 1462323013.76760101 Hartree integrate/restrict (226.21910s) started
T12 << 1462323014.09025502 Hartree integrate/restrict (226.54175s) stopped
T12 >> 1462323014.09034491 Atomic (1454.12302s) started
T12 >> 1462323014.09207010 XC Correction (0.02016s) started
T12 << 1462323014.09208488 XC Correction (0.02017s) stopped
T12 << 1462323016.49403000 Atomic (1456.52670s) stopped
T12 >> 1462323016.49418497 Communicate (7432.79419s) started
T12 << 1462323034.14005494 Communicate (7450.44006s) stopped
T12 << 1462323034.14009190 Hamiltonian (29997.42777s) stopped
T12 >> 1462323034.14011788 LCAO eigensolver (42379.76562s) started
T12 >> 1462323034.14013100 Potential matrix (633.85799s) started
T12 << 1462323035.11669803 Potential matrix (634.83456s) stopped
T12 >> 1462323035.11676908 DistributedAtomicCorrection (264.40179s) started
T12 << 1462323035.56605792 DistributedAtomicCorrection (264.85108s) stopped
T12 >> 1462323035.56612206 Distribute overlap matrix (4871.30419s) started
T12 >> 1462323035.56614494 blocked summation (2717.77519s) started
T12 << 1462323040.04978395 blocked summation (2722.25883s) stopped
T12 >> 1462323040.05945992 Scalapack redistribute (2147.12426s) started
T12 << 1462323043.67680693 Scalapack redistribute (2150.74161s) stopped
T12 << 1462323043.67690492 Distribute overlap matrix (4879.41497s) stopped
T12 >> 1462323043.68211508 Blacs Orbital Layouts (35453.48532s) started
T12 >> 1462323043.69051003 General diagonalize (35310.13424s) started
T12 << 1462323099.77755904 General diagonalize (35366.22129s) stopped
T12 >> 1462323099.77762794 Redistribute coefs (5.38435s) started
T12 << 1462323099.78494811 Redistribute coefs (5.39167s) stopped
T12 >> 1462323099.78504491 Send coefs to domains (131.99962s) started
T12 << 1462323100.14006209 Send coefs to domains (132.35464s) stopped
T12 << 1462323100.14042401 Blacs Orbital Layouts (35509.94363s) stopped
T12 >> 1462323100.14045191 Calculate projections (1153.51238s) started
T12 << 1462323101.90765500 Calculate projections (1155.27959s) stopped
T12 << 1462323101.90800405 LCAO eigensolver (42447.53351s) stopped
T12 << 1462323105.03562403 SCF-cycle (84551.75517s) stopped
T12 >> 1462323107.01552606 Force calculation (3849.94434s) started
T12 >> 1462323107.01560998 LCAO forces (3808.19050s) started
T12 >> 1462323107.01598096 Initial (0.00111s) started
T12 << 1462323107.01599193 Initial (0.00112s) stopped
T12 >> 1462323107.02276897 Get density matrix (1991.48140s) started
T12 << 1462323116.17597890 Get density matrix (2000.63461s) stopped
T12 >> 1462323116.17602110 Potential (300.91444s) started
T12 << 1462323122.30810189 Potential (307.04652s) stopped
T12 >> 1462323122.30815601 Get density matrix (2000.63465s) started
T12 << 1462323154.64957309 Get density matrix (2032.97606s) stopped
T12 >> 1462323154.64963007 Prepare TCI loop (105.89823s) started
T12 >> 1462323154.65014911 Get neighbors (95.21099s) started
T12 << 1462323156.60918593 Get neighbors (97.17003s) stopped
T12 >> 1462323156.60962391 broadcast dH (10.62969s) started
T12 << 1462323156.85572290 broadcast dH (10.87578s) stopped
T12 << 1462323156.85576391 Prepare TCI loop (108.10436s) stopped
T12 >> 1462323156.85578394 Not so complicated loop (5.83405s) started
T12 << 1462323156.97339201 Not so complicated loop (5.95166s) stopped
T12 >> 1462323157.08860397 Complicated loop (918.01942s) started
T12 << 1462323176.52878594 Complicated loop (937.45960s) stopped
T12 >> 1462323176.52980900 Wait for sum (479.76449s) started
T12 << 1462323187.18093705 Wait for sum (490.41562s) stopped
T12 << 1462323187.18097401 LCAO forces (3888.35587s) stopped
T12 << 1462323188.01713490 Force calculation (3930.94595s) stopped
T12 >> 1462323188.03505111 Initialization (6401.51413s) started
T12 << 1462323188.03522205 Initialization (6401.51430s) stopped
T12 >> 1462323188.03544307 Initialization (6401.51431s) started
T12 << 1462323188.03557992 Initialization (6401.51445s) stopped
T12 >> 1462323188.03572011 Initialization (6401.51447s) started
T12 << 1462323188.03585911 Initialization (6401.51460s) stopped
T12 >> 1462323208.32783794 Initialization (6401.51462s) started
T12 >> 1462323208.50329709 Basic WFS set positions (4.40973s) started
T12 >> 1462323208.50332093 Redistribute (0.01413s) started
T12 << 1462323208.50345397 Redistribute (0.01426s) stopped
T12 << 1462323208.59348106 Basic WFS set positions (4.49991s) stopped
T12 >> 1462323208.59350896 Basis functions set positions (91.96638s) started
T12 << 1462323210.50898409 Basis functions set positions (93.88185s) stopped
T12 >> 1462323210.50949001 TCI: Calculate S, T, P (765.30422s) started
T12 << 1462323226.26532793 TCI: Calculate S, T, P (781.06006s) stopped
T12 >> 1462323226.26538301 blocked summation (1193.14506s) started
T12 << 1462323254.35355091 blocked summation (1221.23323s) stopped
T12 >> 1462323254.36295199 Scalapack redistribute (455.76203s) started
T12 << 1462323265.25728989 Scalapack redistribute (466.65637s) stopped
T12 >> 1462323265.25841308 blocked summation (1221.23326s) started
T12 << 1462323266.29470611 blocked summation (1222.26955s) stopped
T12 >> 1462323266.30412412 Scalapack redistribute (466.65641s) started
T12 << 1462323266.52744007 Scalapack redistribute (466.87973s) stopped
T12 >> 1462323266.52969790 Redistribute (0.10825s) started
T12 << 1462323266.53023291 Redistribute (0.10878s) stopped
T12 >> 1462323268.26980591 Redistribute (0.10880s) started
T12 << 1462323268.27025795 Redistribute (0.10925s) stopped
T12 >> 1462323268.28536892 LCAO WFS Initialize (3792.28006s) started
T12 >> 1462323268.28540802 Density initialize from wavefunctions (717.09411s) started
T12 >> 1462323268.29033899 Calculate density matrix (496.42957s) started
T12 << 1462323278.11199307 Calculate density matrix (506.25123s) stopped
T12 >> 1462323278.11204195 Construct density (37.69579s) started
T12 << 1462323278.88125396 Construct density (38.46500s) stopped
T12 >> 1462323278.89504790 Symmetrize density (0.00412s) started
T12 << 1462323278.89511108 Symmetrize density (0.00418s) stopped
T12 << 1462323282.65796208 Density initialize from wavefunctions (731.46666s) stopped
T12 >> 1462323282.65829706 Hamiltonian (3074.25673s) started
T12 >> 1462323282.65831900 vbar (1.40403s) started
T12 << 1462323282.69375610 vbar (1.43947s) stopped
T12 >> 1462323282.69388103 XC 3D grid (1453.51625s) started
T12 >> 1462323283.21814108 van der Waals (1404.13940s) started
T12 >> 1462323283.32750702 semilocal (295.41464s) started
T12 << 1462323289.06242609 semilocal (301.14956s) stopped
T12 >> 1462323289.15095901 redistribute (161.23407s) started
T12 << 1462323290.20222592 redistribute (162.28534s) stopped
T12 >> 1462323290.20226693 libvdwxc nonlocal (937.71791s) started
T12 << 1462323308.59783006 libvdwxc nonlocal (956.11348s) stopped
T12 >> 1462323308.59789300 redistribute (162.28537s) started
T12 << 1462323310.35453606 redistribute (164.04201s) stopped
T12 << 1462323310.35574102 van der Waals (1431.27700s) stopped
T12 << 1462323310.80561709 XC 3D grid (1481.62798s) stopped
T12 >> 1462323310.80566692 Poisson (739.73462s) started
T12 << 1462323325.35681200 Poisson (754.28576s) stopped
T12 >> 1462323325.35694504 Hartree integrate/restrict (19.01044s) started
T12 << 1462323325.40021801 Hartree integrate/restrict (19.05372s) stopped
T12 >> 1462323325.40029097 Hartree integrate/restrict (19.05377s) started
T12 << 1462323325.74335694 Hartree integrate/restrict (19.39683s) stopped
T12 >> 1462323325.74343991 Atomic (120.84401s) started
T12 >> 1462323325.74546003 XC Correction (0.00187s) started
T12 << 1462323325.74547601 XC Correction (0.00189s) stopped
T12 << 1462323328.10883093 Atomic (123.20940s) stopped
T12 >> 1462323328.10899711 Communicate (739.70111s) started
T12 << 1462323346.19245100 Communicate (757.78457s) stopped
T12 << 1462323346.19248104 Hamiltonian (3137.79092s) stopped
T12 << 1462323346.19249606 LCAO WFS Initialize (3870.18718s) stopped
T12 << 1462323346.20459509 Initialization (6539.39138s) stopped
T12 >> 1462323346.23059797 SCF-cycle (84551.75519s) started
T12 >> 1462323346.23063302 LCAO eigensolver (42447.53353s) started
T12 >> 1462323346.23064590 Potential matrix (634.83460s) started
T12 << 1462323347.21652699 Potential matrix (635.82048s) stopped
T12 >> 1462323347.21661210 DistributedAtomicCorrection (264.85112s) started
T12 << 1462323347.65177894 DistributedAtomicCorrection (265.28629s) stopped
T12 >> 1462323347.65182996 Distribute overlap matrix (4879.41498s) started
T12 >> 1462323347.65186095 blocked summation (2722.25888s) started
T12 << 1462323352.17139912 blocked summation (2726.77842s) stopped
T12 >> 1462323352.18122697 Scalapack redistribute (2150.74167s) started
T12 << 1462323355.70882392 Scalapack redistribute (2154.26926s) stopped
T12 << 1462323355.70890498 Distribute overlap matrix (4887.47206s) stopped
T12 >> 1462323355.71335793 Blacs Orbital Layouts (35509.94365s) started
T12 >> 1462323355.72227311 General diagonalize (35366.22135s) started
T12 << 1462323410.94444108 General diagonalize (35421.44352s) stopped
T12 >> 1462323410.94448709 Redistribute coefs (5.39175s) started
T12 << 1462323410.95294809 Redistribute coefs (5.40021s) stopped
T12 >> 1462323410.95299101 Send coefs to domains (132.35467s) started
T12 << 1462323411.04630208 Send coefs to domains (132.44798s) stopped
T12 << 1462323411.04667091 Blacs Orbital Layouts (35565.27697s) stopped
T12 >> 1462323411.04669905 Calculate projections (1155.27963s) started
T12 << 1462323412.81038404 Calculate projections (1157.04332s) stopped
T12 << 1462323412.81077504 LCAO eigensolver (42514.11367s) stopped
T12 >> 1462323415.89087391 Density (10020.56437s) started
T12 >> 1462323415.89088893 Pseudo density (7734.22580s) started
T12 >> 1462323415.89344907 Calculate density matrix (7263.45260s) started
T12 << 1462323427.71312809 Calculate density matrix (7275.27227s) stopped
T12 >> 1462323427.71317697 Construct density (458.49586s) started
T12 << 1462323428.48271394 Construct density (459.26540s) stopped
T12 >> 1462323428.49759698 Symmetrize density (0.05191s) started
T12 << 1462323428.49766493 Symmetrize density (0.05198s) stopped
T12 << 1462323428.49965096 Pseudo density (7746.83456s) stopped
T12 >> 1462323428.49971008 Atomic density matrices (2017.31917s) started
T12 << 1462323431.98226404 Atomic density matrices (2020.80172s) stopped
T12 >> 1462323431.98229504 Multipole moments (7.34944s) started
T12 << 1462323431.99706411 Multipole moments (7.36421s) stopped
T12 >> 1462323431.99708796 Normalize (4.12668s) started
T12 << 1462323432.00344610 Normalize (4.13304s) stopped
T12 >> 1462323432.00349307 Mix (257.49525s) started
T12 << 1462323432.38323593 Mix (257.87500s) stopped
T12 << 1462323432.38329506 Density (10037.05679s) stopped
T12 >> 1462323432.38332295 Hamiltonian (29997.42779s) started
T12 >> 1462323432.38333893 vbar (16.28537s) started
T12 << 1462323432.40778089 vbar (16.30981s) stopped
T12 >> 1462323432.40786409 XC 3D grid (17232.79981s) started
T12 >> 1462323432.90998602 van der Waals (16644.15773s) started
T12 >> 1462323433.01995492 semilocal (3516.41440s) started
T12 << 1462323438.82423997 semilocal (3522.21869s) stopped
T12 >> 1462323438.90270400 redistribute (1792.37235s) started
T12 << 1462323439.88269210 redistribute (1793.35234s) stopped
T12 >> 1462323439.88273597 libvdwxc nonlocal (11219.28823s) started
T12 << 1462323458.54928994 libvdwxc nonlocal (11237.95479s) stopped
T12 >> 1462323458.54934001 redistribute (1793.35237s) started
T12 << 1462323460.25666809 redistribute (1795.05970s) stopped
T12 << 1462323460.25785589 van der Waals (16671.50559s) stopped
T12 << 1462323460.71045995 XC 3D grid (17261.10241s) stopped
T12 >> 1462323460.71050000 Poisson (3614.59335s) started
T12 << 1462323465.08842993 Poisson (3618.97128s) stopped
T12 >> 1462323465.08850598 Hartree integrate/restrict (226.54180s) started
T12 << 1462323465.13814902 Hartree integrate/restrict (226.59144s) stopped
T12 >> 1462323465.13819909 Hartree integrate/restrict (226.59147s) started
T12 << 1462323465.44109511 Hartree integrate/restrict (226.89437s) stopped
T12 >> 1462323465.44119501 Atomic (1456.52673s) started
T12 >> 1462323465.44320703 XC Correction (0.02018s) started
T12 << 1462323465.44322205 XC Correction (0.02020s) stopped
T12 << 1462323467.84645295 Atomic (1458.93199s) stopped
T12 >> 1462323467.84665704 Communicate (7450.44008s) started
T12 << 1462323485.97946095 Communicate (7468.57288s) stopped
T12 << 1462323485.97950196 Hamiltonian (30051.02397s) stopped
T12 >> 1462323485.97952890 LCAO eigensolver (42514.11369s) started
T12 >> 1462323485.97954202 Potential matrix (635.82053s) started
T12 << 1462323486.95979595 Potential matrix (636.80078s) stopped
T12 >> 1462323486.95989394 DistributedAtomicCorrection (265.28633s) started
T12 << 1462323487.41282797 DistributedAtomicCorrection (265.73926s) stopped
T12 >> 1462323487.41287708 Distribute overlap matrix (4887.47207s) started
T12 >> 1462323487.41291690 blocked summation (2726.77845s) started
T12 << 1462323491.87358403 blocked summation (2731.23912s) stopped
T12 >> 1462323491.88340306 Scalapack redistribute (2154.26930s) started
T12 << 1462323495.44777608 Scalapack redistribute (2157.83368s) stopped
T12 << 1462323495.44787097 Distribute overlap matrix (4895.50706s) stopped
T12 >> 1462323495.45372891 Blacs Orbital Layouts (35565.27699s) started
T12 >> 1462323495.46270490 General diagonalize (35421.44355s) started
T12 << 1462323550.63733411 General diagonalize (35476.61818s) stopped
T12 >> 1462323550.63738608 Redistribute coefs (5.40024s) started
T12 << 1462323550.64660597 Redistribute coefs (5.40946s) stopped
T12 >> 1462323550.64664793 Send coefs to domains (132.44801s) started
T12 << 1462323550.73130202 Send coefs to domains (132.53267s) stopped
T12 << 1462323550.73193908 Blacs Orbital Layouts (35620.55520s) stopped
T12 >> 1462323550.73196602 Calculate projections (1157.04337s) started
T12 << 1462323552.49660492 Calculate projections (1158.80801s) stopped
T12 << 1462323552.49710298 LCAO eigensolver (42580.63126s) stopped
T12 >> 1462323555.56681991 Density (10037.05681s) started
T12 >> 1462323555.56683493 Pseudo density (7746.83461s) started
T12 >> 1462323555.56934595 Calculate density matrix (7275.27231s) started
T12 << 1462323567.49649501 Calculate density matrix (7287.19946s) stopped
T12 >> 1462323567.49654293 Construct density (459.26545s) started
T12 << 1462323568.26776195 Construct density (460.03667s) stopped
T12 >> 1462323568.28224611 Symmetrize density (0.05199s) started
T12 << 1462323568.28231096 Symmetrize density (0.05206s) stopped
T12 << 1462323568.28437710 Pseudo density (7759.55215s) stopped
T12 >> 1462323568.28443408 Atomic density matrices (2020.80175s) started
T12 << 1462323571.80865312 Atomic density matrices (2024.32597s) stopped
T12 >> 1462323571.80868411 Multipole moments (7.36422s) started
T12 << 1462323571.82394195 Multipole moments (7.37948s) stopped
T12 >> 1462323571.82396507 Normalize (4.13307s) started
T12 << 1462323571.83020496 Normalize (4.13931s) stopped
T12 >> 1462323571.83025002 Mix (257.87505s) started
T12 << 1462323572.16619992 Mix (258.21100s) stopped
T12 << 1462323572.16627097 Density (10053.65626s) stopped
T12 >> 1462323572.16630197 Hamiltonian (30051.02398s) started
T12 >> 1462323572.16631699 vbar (16.30986s) started
T12 << 1462323572.18934011 vbar (16.33288s) stopped
T12 >> 1462323572.18944407 XC 3D grid (17261.10244s) started
T12 >> 1462323572.74443102 van der Waals (16671.50562s) started
T12 >> 1462323572.85470390 semilocal (3522.21878s) started
T12 << 1462323578.58252096 semilocal (3527.94659s) stopped
T12 >> 1462323578.66397309 redistribute (1795.05976s) started
T12 << 1462323579.75407696 redistribute (1796.14986s) stopped
T12 >> 1462323579.75412011 libvdwxc nonlocal (11237.95483s) started
T12 << 1462323598.65651488 libvdwxc nonlocal (11256.85722s) stopped
T12 >> 1462323598.65658092 redistribute (1796.14989s) started
T12 << 1462323600.43384504 redistribute (1797.92716s) stopped
T12 << 1462323600.43596792 van der Waals (16699.19715s) stopped
T12 << 1462323600.88698196 XC 3D grid (17289.79998s) stopped
T12 >> 1462323600.88705206 Poisson (3618.97134s) started
T12 << 1462323614.07944798 Poisson (3632.16373s) stopped
T12 >> 1462323614.07950592 Hartree integrate/restrict (226.89442s) started
T12 << 1462323614.13430500 Hartree integrate/restrict (226.94922s) stopped
T12 >> 1462323614.13435411 Hartree integrate/restrict (226.94925s) started
T12 << 1462323614.44763899 Hartree integrate/restrict (227.26253s) stopped
T12 >> 1462323614.44773889 Atomic (1458.93201s) started
T12 >> 1462323614.44958806 XC Correction (0.02021s) started
T12 << 1462323614.44960690 XC Correction (0.02023s) stopped
T12 << 1462323616.84656191 Atomic (1461.33084s) stopped
T12 >> 1462323616.84673309 Communicate (7468.57291s) started
T12 << 1462323635.04625201 Communicate (7486.77243s) stopped
T12 << 1462323635.04628801 Hamiltonian (30113.90397s) stopped
T12 >> 1462323635.04631305 LCAO eigensolver (42580.63128s) started
T12 >> 1462323635.04632592 Potential matrix (636.80084s) started
T12 << 1462323636.01904392 Potential matrix (637.77356s) stopped
T12 >> 1462323636.01911592 DistributedAtomicCorrection (265.73930s) started
T12 << 1462323636.45215201 DistributedAtomicCorrection (266.17234s) stopped
T12 >> 1462323636.45219898 Distribute overlap matrix (4895.50708s) started
T12 >> 1462323636.45222807 blocked summation (2731.23916s) started
T12 << 1462323641.01143193 blocked summation (2735.79836s) stopped
T12 >> 1462323641.02086091 Scalapack redistribute (2157.83375s) started
T12 << 1462323644.51445389 Scalapack redistribute (2161.32734s) stopped
T12 << 1462323644.51453400 Distribute overlap matrix (4903.56941s) stopped
T12 >> 1462323644.51867700 Blacs Orbital Layouts (35620.55521s) started
T12 >> 1462323644.52716899 General diagonalize (35476.61822s) started
T12 << 1462323697.55846691 General diagonalize (35529.64952s) stopped
T12 >> 1462323697.55855703 Redistribute coefs (5.40949s) started
T12 << 1462323697.56857109 Redistribute coefs (5.41951s) stopped
T12 >> 1462323697.56862497 Send coefs to domains (132.53270s) started
T12 << 1462323697.68710089 Send coefs to domains (132.65118s) stopped
T12 << 1462323697.68761492 Blacs Orbital Layouts (35673.72415s) stopped
T12 >> 1462323697.68764710 Calculate projections (1158.80806s) started
T12 << 1462323699.47041202 Calculate projections (1160.59083s) stopped
T12 << 1462323699.47064805 LCAO eigensolver (42645.05562s) stopped
T12 >> 1462323702.52130294 Density (10053.65627s) started
T12 >> 1462323702.52131891 Pseudo density (7759.55219s) started
T12 >> 1462323702.52406311 Calculate density matrix (7287.19949s) started
T12 << 1462323714.65872788 Calculate density matrix (7299.33415s) stopped
T12 >> 1462323714.65878606 Construct density (460.03672s) started
T12 << 1462323715.43351793 Construct density (460.81145s) stopped
T12 >> 1462323715.45115089 Symmetrize density (0.05208s) started
T12 << 1462323715.45122910 Symmetrize density (0.05215s) stopped
T12 << 1462323715.45368195 Pseudo density (7772.48456s) stopped
T12 >> 1462323715.45374990 Atomic density matrices (2024.32599s) started
T12 << 1462323718.95870996 Atomic density matrices (2027.83095s) stopped
T12 >> 1462323718.95874691 Multipole moments (7.37950s) started
T12 << 1462323718.97401810 Multipole moments (7.39477s) stopped
T12 >> 1462323718.97405005 Normalize (4.13934s) started
T12 << 1462323718.98096609 Normalize (4.14626s) stopped
T12 >> 1462323718.98101306 Mix (258.21107s) started
T12 << 1462323719.36543703 Mix (258.59550s) stopped
T12 << 1462323719.36551094 Density (10070.50048s) stopped
T12 >> 1462323719.36554193 Hamiltonian (30113.90398s) started
T12 >> 1462323719.36555791 vbar (16.33294s) started
T12 << 1462323719.38546205 vbar (16.35284s) stopped
T12 >> 1462323719.38552189 XC 3D grid (17289.80003s) started
T12 >> 1462323719.88952899 van der Waals (16699.19721s) started
T12 >> 1462323719.99925208 semilocal (3527.94665s) started
T12 << 1462323725.74694490 semilocal (3533.69434s) stopped
T12 >> 1462323725.82145596 redistribute (1797.92723s) started
T12 << 1462323726.89934802 redistribute (1799.00512s) stopped
T12 >> 1462323726.89939094 libvdwxc nonlocal (11256.85727s) started
T12 << 1462323745.37817693 libvdwxc nonlocal (11275.33606s) stopped
T12 >> 1462323745.37824106 redistribute (1799.00515s) started
T12 << 1462323747.08331800 redistribute (1800.71023s) stopped
T12 << 1462323747.08427000 van der Waals (16726.39195s) stopped
T12 << 1462323747.54023004 XC 3D grid (17317.95474s) stopped
T12 >> 1462323747.54028893 Poisson (3632.16378s) started
T12 << 1462323753.39244390 Poisson (3638.01593s) stopped
T12 >> 1462323753.39257002 Hartree integrate/restrict (227.26259s) started
T12 << 1462323753.44123507 Hartree integrate/restrict (227.31125s) stopped
T12 >> 1462323753.44129610 Hartree integrate/restrict (227.31129s) started
T12 << 1462323753.75510693 Hartree integrate/restrict (227.62510s) stopped
T12 >> 1462323753.75521207 Atomic (1461.33086s) started
T12 >> 1462323753.75703192 XC Correction (0.02024s) started
T12 << 1462323753.75706100 XC Correction (0.02027s) stopped
T12 << 1462323756.14674997 Atomic (1463.72240s) stopped
T12 >> 1462323756.14692998 Communicate (7486.77245s) started
T12 << 1462323774.23100209 Communicate (7504.85653s) stopped
T12 << 1462323774.23104095 Hamiltonian (30168.76948s) stopped
T12 >> 1462323774.23106694 LCAO eigensolver (42645.05564s) started
T12 >> 1462323774.23108006 Potential matrix (637.77360s) started
T12 << 1462323775.19794703 Potential matrix (638.74047s) stopped
T12 >> 1462323775.19801903 DistributedAtomicCorrection (266.17238s) started
T12 << 1462323775.63208699 DistributedAtomicCorrection (266.60644s) stopped
T12 >> 1462323775.63213301 Distribute overlap matrix (4903.56942s) started
T12 >> 1462323775.63216209 blocked summation (2735.79839s) started
T12 << 1462323780.18369603 blocked summation (2740.34992s) stopped
T12 >> 1462323780.19368196 Scalapack redistribute (2161.32740s) started
T12 << 1462323783.67718005 Scalapack redistribute (2164.81090s) stopped
T12 << 1462323783.67725992 Distribute overlap matrix (4911.61455s) stopped
T12 >> 1462323783.68127489 Blacs Orbital Layouts (35673.72417s) started
T12 >> 1462323783.69010496 General diagonalize (35529.64959s) started
T12 << 1462323839.81853509 General diagonalize (35585.77802s) stopped
T12 >> 1462323839.81858110 Redistribute coefs (5.41955s) started
T12 << 1462323839.82712698 Redistribute coefs (5.42809s) stopped
T12 >> 1462323839.82719207 Send coefs to domains (132.65121s) started
T12 << 1462323839.98005891 Send coefs to domains (132.80408s) stopped
T12 << 1462323839.98073411 Blacs Orbital Layouts (35730.02363s) stopped
T12 >> 1462323839.98076105 Calculate projections (1160.59088s) started
T12 << 1462323841.74959898 Calculate projections (1162.35972s) stopped
T12 << 1462323841.74994302 LCAO eigensolver (42712.57451s) stopped
T12 >> 1462323844.82317901 Density (10070.50050s) started
T12 >> 1462323844.82319593 Pseudo density (7772.48461s) started
T12 >> 1462323844.82545304 Calculate density matrix (7299.33419s) started
T12 << 1462323856.71369004 Calculate density matrix (7311.22243s) stopped
T12 >> 1462323856.71373701 Construct density (460.81151s) started
T12 << 1462323857.48511291 Construct density (461.58288s) stopped
T12 >> 1462323857.49922204 Symmetrize density (0.05217s) started
T12 << 1462323857.49928904 Symmetrize density (0.05224s) stopped
T12 << 1462323857.50135994 Pseudo density (7785.16277s) stopped
T12 >> 1462323857.50141811 Atomic density matrices (2027.83098s) started
T12 << 1462323860.95288897 Atomic density matrices (2031.28245s) stopped
T12 >> 1462323860.95292091 Multipole moments (7.39479s) started
T12 << 1462323860.96817708 Multipole moments (7.41004s) stopped
T12 >> 1462323860.96820688 Normalize (4.14629s) started
T12 << 1462323860.97441196 Normalize (4.15250s) stopped
T12 >> 1462323860.97450399 Mix (258.59557s) started
T12 << 1462323861.35701895 Mix (258.97808s) stopped
T12 << 1462323861.35707307 Density (10087.03439s) stopped
T12 >> 1462323861.35709906 Hamiltonian (30168.76949s) started
T12 >> 1462323861.35711288 vbar (16.35287s) started
T12 << 1462323861.37906694 vbar (16.37482s) stopped
T12 >> 1462323861.37917209 XC 3D grid (17317.95479s) started
T12 >> 1462323861.98741007 van der Waals (16726.39198s) started
T12 >> 1462323862.09607911 semilocal (3533.69445s) started
T12 << 1462323867.85113502 semilocal (3539.44951s) stopped
T12 >> 1462323867.93501997 redistribute (1800.71026s) started
T12 << 1462323868.99746704 redistribute (1801.77271s) stopped
T12 >> 1462323868.99753809 libvdwxc nonlocal (11275.33611s) started
T12 << 1462323887.64675689 libvdwxc nonlocal (11293.98533s) stopped
T12 >> 1462323887.64683700 redistribute (1801.77277s) started
T12 << 1462323889.39067602 redistribute (1803.51660s) stopped
T12 << 1462323889.39175296 van der Waals (16753.79632s) stopped
T12 << 1462323889.84551406 XC 3D grid (17346.42113s) stopped
T12 >> 1462323889.84557891 Poisson (3638.01603s) started
T12 << 1462323898.61230803 Poisson (3646.78276s) stopped
T12 >> 1462323898.61239791 Hartree integrate/restrict (227.62516s) started
T12 << 1462323898.65683389 Hartree integrate/restrict (227.66959s) stopped
T12 >> 1462323898.65692711 Hartree integrate/restrict (227.66966s) started
T12 << 1462323898.98303390 Hartree integrate/restrict (227.99577s) stopped
T12 >> 1462323898.98313498 Atomic (1463.72242s) started
T12 >> 1462323898.98489904 XC Correction (0.02028s) started
T12 << 1462323898.98491406 XC Correction (0.02030s) stopped
T12 << 1462323901.36971211 Atomic (1466.10900s) stopped
T12 >> 1462323901.36988807 Communicate (7504.85655s) started
T12 << 1462323918.75271606 Communicate (7522.23938s) stopped
T12 << 1462323918.75275207 Hamiltonian (30226.16514s) stopped
T12 >> 1462323918.75277805 LCAO eigensolver (42712.57453s) started
T12 >> 1462323918.75279093 Potential matrix (638.74051s) started
T12 << 1462323919.73442602 Potential matrix (639.72215s) stopped
T12 >> 1462323919.73449802 DistributedAtomicCorrection (266.60648s) started
T12 << 1462323920.17110896 DistributedAtomicCorrection (267.04309s) stopped
T12 >> 1462323920.17115498 Distribute overlap matrix (4911.61456s) started
T12 >> 1462323920.17118311 blocked summation (2740.34996s) started
T12 << 1462323924.69593310 blocked summation (2744.87471s) stopped
T12 >> 1462323924.70558190 Scalapack redistribute (2164.81096s) started
T12 << 1462323928.26926994 Scalapack redistribute (2168.37465s) stopped
T12 << 1462323928.26936889 Distribute overlap matrix (4919.71278s) stopped
T12 >> 1462323928.27331400 Blacs Orbital Layouts (35730.02365s) started
T12 >> 1462323928.28204203 General diagonalize (35585.77806s) started
T12 << 1462323981.21941304 General diagonalize (35638.71543s) stopped
T12 >> 1462323981.21949601 Redistribute coefs (5.42815s) started
T12 << 1462323981.22935390 Redistribute coefs (5.43800s) stopped
T12 >> 1462323981.22940993 Send coefs to domains (132.80411s) started
T12 << 1462323981.33720994 Send coefs to domains (132.91191s) stopped
T12 << 1462323981.33772397 Blacs Orbital Layouts (35783.08806s) stopped
T12 >> 1462323981.33775401 Calculate projections (1162.35977s) started
T12 << 1462323983.12284303 Calculate projections (1164.14486s) stopped
T12 << 1462323983.12331200 LCAO eigensolver (42776.94507s) stopped
T12 >> 1462323986.19847298 Density (10087.03440s) started
T12 >> 1462323986.19848895 Pseudo density (7785.16282s) started
T12 >> 1462323986.20122504 Calculate density matrix (7311.22246s) started
T12 << 1462323998.08080697 Calculate density matrix (7323.10204s) stopped
T12 >> 1462323998.08086300 Construct density (461.58294s) started
T12 << 1462323998.85509610 Construct density (462.35717s) stopped
T12 >> 1462323998.87150311 Symmetrize density (0.05226s) started
T12 << 1462323998.87157893 Symmetrize density (0.05233s) stopped
T12 << 1462323998.87404108 Pseudo density (7797.83837s) stopped
T12 >> 1462323998.87411094 Atomic density matrices (2031.28247s) started
T12 << 1462324002.29234195 Atomic density matrices (2034.70071s) stopped
T12 >> 1462324002.29238009 Multipole moments (7.41006s) started
T12 << 1462324002.30699396 Multipole moments (7.42467s) stopped
T12 >> 1462324002.30702591 Normalize (4.15257s) started
T12 << 1462324002.31354499 Normalize (4.15909s) stopped
T12 >> 1462324002.31359196 Mix (258.97813s) started
T12 << 1462324002.77108002 Mix (259.43562s) stopped
T12 << 1462324002.77113700 Density (10103.60707s) stopped
T12 >> 1462324002.77116489 Hamiltonian (30226.16516s) started
T12 >> 1462324002.77117991 vbar (16.37489s) started
T12 << 1462324002.79691195 vbar (16.40062s) stopped
T12 >> 1462324002.79706311 XC 3D grid (17346.42119s) started
T12 >> 1462324003.27379894 van der Waals (16753.79635s) started
T12 >> 1462324003.38659811 semilocal (3539.44961s) started
T12 << 1462324009.19926405 semilocal (3545.26227s) stopped
T12 >> 1462324009.27327394 redistribute (1803.51666s) started
T12 << 1462324010.22606301 redistribute (1804.46945s) stopped
T12 >> 1462324010.22612500 libvdwxc nonlocal (11293.98539s) started
T12 << 1462324027.96793008 libvdwxc nonlocal (11311.72720s) stopped
T12 >> 1462324027.96801591 redistribute (1804.46949s) started
T12 << 1462324030.11698699 redistribute (1806.61846s) stopped
T12 << 1462324030.11906099 van der Waals (16780.64161s) stopped
T12 << 1462324030.57084298 XC 3D grid (17374.19497s) stopped
T12 >> 1462324030.57089400 Poisson (3646.78283s) started
T12 << 1462324036.39315605 Poisson (3652.60509s) stopped
T12 >> 1462324036.39324498 Hartree integrate/restrict (227.99582s) started
T12 << 1462324036.43461299 Hartree integrate/restrict (228.03719s) stopped
T12 >> 1462324036.43469596 Hartree integrate/restrict (228.03724s) started
T12 << 1462324036.77258301 Hartree integrate/restrict (228.37513s) stopped
T12 >> 1462324036.77269793 Atomic (1466.10902s) started
T12 >> 1462324036.77469206 XC Correction (0.02031s) started
T12 << 1462324036.77471590 XC Correction (0.02033s) stopped
T12 << 1462324039.16391611 Atomic (1468.50024s) stopped
T12 >> 1462324039.16411400 Communicate (7522.23940s) started
T12 << 1462324055.82910490 Communicate (7538.90439s) stopped
T12 << 1462324055.82914805 Hamiltonian (30279.22314s) stopped
T12 >> 1462324055.82917500 LCAO eigensolver (42776.94509s) started
T12 >> 1462324055.82918906 Potential matrix (639.72219s) started
T12 << 1462324056.80986190 Potential matrix (640.70286s) stopped
T12 >> 1462324056.80994296 DistributedAtomicCorrection (267.04313s) started
T12 << 1462324057.26540208 DistributedAtomicCorrection (267.49859s) stopped
T12 >> 1462324057.26547408 Distribute overlap matrix (4919.71279s) started
T12 >> 1462324057.26549911 blocked summation (2744.87474s) started
T12 << 1462324061.79035592 blocked summation (2749.39959s) stopped
T12 >> 1462324061.80004811 Scalapack redistribute (2168.37471s) started
T12 << 1462324065.25227904 Scalapack redistribute (2171.82694s) stopped
T12 << 1462324065.25238800 Distribute overlap matrix (4927.69971s) stopped
T12 >> 1462324065.25709295 Blacs Orbital Layouts (35783.08808s) started
T12 >> 1462324065.26586699 General diagonalize (35638.71550s) started
T12 << 1462324118.52174902 General diagonalize (35691.97138s) stopped
T12 >> 1462324118.52180099 Redistribute coefs (5.43805s) started
T12 << 1462324118.53073096 Redistribute coefs (5.44698s) stopped
T12 >> 1462324118.53077888 Send coefs to domains (132.91195s) started
T12 << 1462324118.66792297 Send coefs to domains (133.04909s) stopped
T12 << 1462324118.66823006 Blacs Orbital Layouts (35836.49922s) stopped
T12 >> 1462324118.66827011 Calculate projections (1164.14491s) started
T12 << 1462324120.44871497 Calculate projections (1165.92536s) stopped
T12 << 1462324120.44910407 LCAO eigensolver (42841.56501s) stopped
T12 >> 1462324123.51886797 Density (10103.60708s) started
T12 >> 1462324123.51888490 Pseudo density (7797.83843s) started
T12 >> 1462324123.52155995 Calculate density matrix (7323.10208s) started
T12 << 1462324135.55819988 Calculate density matrix (7335.13872s) stopped
T12 >> 1462324135.55825591 Construct density (462.35723s) started
T12 << 1462324136.33323598 Construct density (463.13221s) stopped
T12 >> 1462324136.35059810 Symmetrize density (0.05235s) started
T12 << 1462324136.35066605 Symmetrize density (0.05242s) stopped
T12 << 1462324136.35311890 Pseudo density (7810.67266s) stopped
T12 >> 1462324136.35318589 Atomic density matrices (2034.70073s) started
T12 << 1462324139.75863504 Atomic density matrices (2038.10618s) stopped
T12 >> 1462324139.75869894 Multipole moments (7.42469s) started
T12 << 1462324139.77400303 Multipole moments (7.43999s) stopped
T12 >> 1462324139.77403498 Normalize (4.15913s) started
T12 << 1462324139.78058195 Normalize (4.16567s) stopped
T12 >> 1462324139.78062701 Mix (259.43568s) started
T12 << 1462324140.25001502 Mix (259.90506s) stopped
T12 << 1462324140.25007796 Density (10120.33829s) stopped
T12 >> 1462324140.25010705 Hamiltonian (30279.22315s) started
T12 >> 1462324140.25012302 vbar (16.40070s) started
T12 << 1462324140.27124405 vbar (16.42182s) stopped
T12 >> 1462324140.27134895 XC 3D grid (17374.19501s) started
T12 >> 1462324140.76107907 van der Waals (16780.64166s) started
T12 >> 1462324140.87581801 semilocal (3545.26234s) started
T12 << 1462324146.65593100 semilocal (3551.04246s) stopped
T12 >> 1462324146.73033810 redistribute (1806.61852s) started
T12 << 1462324147.75376201 redistribute (1807.64194s) stopped
T12 >> 1462324147.75383806 libvdwxc nonlocal (11311.72726s) started
T12 << 1462324165.77062607 libvdwxc nonlocal (11329.74405s) stopped
T12 >> 1462324165.77070403 redistribute (1807.64200s) started
T12 << 1462324167.79129195 redistribute (1809.66259s) stopped
T12 << 1462324167.79257989 van der Waals (16807.67316s) stopped
T12 << 1462324168.23171306 XC 3D grid (17402.15537s) stopped
T12 >> 1462324168.23177791 Poisson (3652.60515s) started
T12 << 1462324172.69215798 Poisson (3657.06553s) stopped
T12 >> 1462324172.69222307 Hartree integrate/restrict (228.37518s) started
T12 << 1462324172.73883009 Hartree integrate/restrict (228.42179s) stopped
T12 >> 1462324172.73892498 Hartree integrate/restrict (228.42186s) started
T12 << 1462324173.05007911 Hartree integrate/restrict (228.73301s) stopped
T12 >> 1462324173.05017900 Atomic (1468.50027s) started
T12 >> 1462324173.05199099 XC Correction (0.02035s) started
T12 << 1462324173.05201793 XC Correction (0.02037s) stopped
T12 << 1462324175.45406699 Atomic (1470.90416s) stopped
T12 >> 1462324175.45422912 Communicate (7538.90442s) started
T12 << 1462324192.09991193 Communicate (7555.55011s) stopped
T12 << 1462324192.09994602 Hamiltonian (30331.07299s) stopped
T12 >> 1462324192.09997010 LCAO eigensolver (42841.56503s) started
T12 >> 1462324192.09998298 Potential matrix (640.70291s) started
T12 << 1462324193.06791210 Potential matrix (641.67084s) stopped
T12 >> 1462324193.06799793 DistributedAtomicCorrection (267.49863s) started
T12 << 1462324193.50924206 DistributedAtomicCorrection (267.93987s) stopped
T12 >> 1462324193.50930405 Distribute overlap matrix (4927.69972s) started
T12 >> 1462324193.50932598 blocked summation (2749.39963s) started
T12 << 1462324198.10670590 blocked summation (2753.99701s) stopped
T12 >> 1462324198.11611009 Scalapack redistribute (2171.82701s) started
T12 << 1462324201.64633894 Scalapack redistribute (2175.35723s) stopped
T12 << 1462324201.64645791 Distribute overlap matrix (4935.83687s) stopped
T12 >> 1462324201.65145111 Blacs Orbital Layouts (35836.49924s) started
T12 >> 1462324201.66020608 General diagonalize (35691.97143s) started
T12 << 1462324258.61371708 General diagonalize (35748.92494s) stopped
T12 >> 1462324258.61376190 Redistribute coefs (5.44701s) started
T12 << 1462324258.62209296 Redistribute coefs (5.45535s) stopped
T12 >> 1462324258.62213397 Send coefs to domains (133.04914s) started
T12 << 1462324258.71667790 Send coefs to domains (133.14368s) stopped
T12 << 1462324258.71706605 Blacs Orbital Layouts (35893.56485s) stopped
T12 >> 1462324258.71709394 Calculate projections (1165.92542s) started
T12 << 1462324260.48493910 Calculate projections (1167.69326s) stopped
T12 << 1462324260.48529410 LCAO eigensolver (42909.95036s) stopped
T12 >> 1462324263.57342601 Density (10120.33830s) started
T12 >> 1462324263.57344103 Pseudo density (7810.67271s) started
T12 >> 1462324263.57597208 Calculate density matrix (7335.13876s) started
T12 << 1462324275.37734389 Calculate density matrix (7346.94013s) stopped
T12 >> 1462324275.37739205 Construct density (463.13226s) started
T12 << 1462324276.14954996 Construct density (463.90442s) stopped
T12 >> 1462324276.16392398 Symmetrize density (0.05244s) started
T12 << 1462324276.16398692 Symmetrize density (0.05250s) stopped
T12 << 1462324276.16606688 Pseudo density (7823.26534s) stopped
T12 >> 1462324276.16612697 Atomic density matrices (2038.10624s) started
T12 << 1462324279.65622807 Atomic density matrices (2041.59634s) stopped
T12 >> 1462324279.65626192 Multipole moments (7.44001s) started
T12 << 1462324279.67142296 Multipole moments (7.45517s) stopped
T12 >> 1462324279.67145205 Normalize (4.16571s) started
T12 << 1462324279.67761302 Normalize (4.17187s) stopped
T12 >> 1462324279.67766690 Mix (259.90513s) started
T12 << 1462324280.11777306 Mix (260.34523s) stopped
T12 << 1462324280.11786795 Density (10136.88275s) stopped
T12 >> 1462324280.11791396 Hamiltonian (30331.07301s) started
T12 >> 1462324280.11793399 vbar (16.42188s) started
T12 << 1462324280.14770508 vbar (16.45165s) stopped
T12 >> 1462324280.14781308 XC 3D grid (17402.15542s) started
T12 >> 1462324280.66573596 van der Waals (16807.67321s) started
T12 >> 1462324280.77288103 semilocal (3551.04255s) started
T12 << 1462324286.50218606 semilocal (3556.77186s) stopped
T12 >> 1462324286.58139610 redistribute (1809.66264s) started
T12 << 1462324287.63366890 redistribute (1810.71492s) stopped
T12 >> 1462324287.63371205 libvdwxc nonlocal (11329.74411s) started
T12 << 1462324306.10335708 libvdwxc nonlocal (11348.21375s) stopped
T12 >> 1462324306.10342598 redistribute (1810.71495s) started
T12 << 1462324307.93365002 redistribute (1812.54517s) stopped
T12 << 1462324307.93523908 van der Waals (16834.94272s) stopped
T12 << 1462324308.38097596 XC 3D grid (17430.38859s) stopped
T12 >> 1462324308.38101697 Poisson (3657.06558s) started
T12 << 1462324312.83460093 Poisson (3661.51917s) stopped
T12 >> 1462324312.83468008 Hartree integrate/restrict (228.73307s) started
T12 << 1462324312.87982392 Hartree integrate/restrict (228.77821s) stopped
T12 >> 1462324312.87986708 Hartree integrate/restrict (228.77824s) started
T12 << 1462324313.19048095 Hartree integrate/restrict (229.08885s) stopped
T12 >> 1462324313.19057894 Atomic (1470.90418s) started
T12 >> 1462324313.19237995 XC Correction (0.02038s) started
T12 << 1462324313.19240594 XC Correction (0.02041s) stopped
T12 << 1462324315.59602499 Atomic (1473.30962s) stopped
T12 >> 1462324315.59618092 Communicate (7555.55013s) started
T12 << 1462324332.24364591 Communicate (7572.19759s) stopped
T12 << 1462324332.24368191 Hamiltonian (30383.19877s) stopped
T12 >> 1462324332.24370909 LCAO eigensolver (42909.95038s) started
T12 >> 1462324332.24372196 Potential matrix (641.67089s) started
T12 << 1462324333.21551108 Potential matrix (642.64268s) stopped
T12 >> 1462324333.21559501 DistributedAtomicCorrection (267.93991s) started
T12 << 1462324333.65895891 DistributedAtomicCorrection (268.38328s) stopped
T12 >> 1462324333.65902400 Distribute overlap matrix (4935.83689s) started
T12 >> 1462324333.65904498 blocked summation (2753.99704s) started
T12 << 1462324338.27377510 blocked summation (2758.61177s) stopped
T12 >> 1462324338.28358197 Scalapack redistribute (2175.35731s) started
T12 << 1462324341.80959201 Scalapack redistribute (2178.88332s) stopped
T12 << 1462324341.80969000 Distribute overlap matrix (4943.98755s) stopped
T12 >> 1462324341.81484604 Blacs Orbital Layouts (35893.56487s) started
T12 >> 1462324341.82409811 General diagonalize (35748.92497s) started
T12 << 1462324397.33997393 General diagonalize (35804.44085s) stopped
T12 >> 1462324397.34002709 Redistribute coefs (5.45538s) started
T12 << 1462324397.34867191 Redistribute coefs (5.46402s) stopped
T12 >> 1462324397.34871197 Send coefs to domains (133.14371s) started
T12 << 1462324397.45463300 Send coefs to domains (133.24963s) stopped
T12 << 1462324397.45510793 Blacs Orbital Layouts (35949.20513s) stopped
T12 >> 1462324397.45513606 Calculate projections (1167.69331s) started
T12 << 1462324399.22414589 Calculate projections (1169.46232s) stopped
T12 << 1462324399.22452402 LCAO eigensolver (42976.93119s) stopped
T12 >> 1462324402.30150199 Density (10136.88277s) started
T12 >> 1462324402.30154300 Pseudo density (7823.26539s) started
T12 >> 1462324402.30397606 Calculate density matrix (7346.94017s) started
T12 << 1462324414.15399504 Calculate density matrix (7358.79019s) stopped
T12 >> 1462324414.15404201 Construct density (463.90447s) started
T12 << 1462324414.92548299 Construct density (464.67591s) stopped
T12 >> 1462324414.93949389 Symmetrize density (0.05252s) started
T12 << 1462324414.93954992 Symmetrize density (0.05257s) stopped
T12 << 1462324414.94162297 Pseudo density (7835.90547s) stopped
T12 >> 1462324414.94168091 Atomic density matrices (2041.59636s) started
T12 << 1462324418.36716199 Atomic density matrices (2045.02184s) stopped
T12 >> 1462324418.36719489 Multipole moments (7.45519s) started
T12 << 1462324418.38242102 Multipole moments (7.47041s) stopped
T12 >> 1462324418.38245010 Normalize (4.17190s) started
T12 << 1462324418.38873291 Normalize (4.17819s) stopped
T12 >> 1462324418.38881111 Mix (260.34532s) started
T12 << 1462324418.79846406 Mix (260.75498s) stopped
T12 << 1462324418.79854989 Density (10153.37981s) stopped
T12 >> 1462324418.79858398 Hamiltonian (30383.19879s) started
T12 >> 1462324418.79860091 vbar (16.45172s) started
T12 << 1462324418.82317591 vbar (16.47629s) stopped
T12 >> 1462324418.82326388 XC 3D grid (17430.38862s) started
T12 >> 1462324419.31796598 van der Waals (16834.94277s) started
T12 >> 1462324419.42462301 semilocal (3556.77198s) started
T12 << 1462324425.14850211 semilocal (3562.49585s) stopped
T12 >> 1462324425.22602606 redistribute (1812.54521s) started
T12 << 1462324426.28727388 redistribute (1813.60646s) stopped
T12 >> 1462324426.28734398 libvdwxc nonlocal (11348.21381s) started
T12 << 1462324444.87722301 libvdwxc nonlocal (11366.80368s) stopped
T12 >> 1462324444.87728000 redistribute (1813.60652s) started
T12 << 1462324446.56815696 redistribute (1815.29739s) stopped
T12 << 1462324446.56932497 van der Waals (16862.19413s) stopped
T12 << 1462324447.02803206 XC 3D grid (17458.59339s) stopped
T12 >> 1462324447.02808404 Poisson (3661.51923s) started
T12 << 1462324451.42473602 Poisson (3665.91588s) stopped
T12 >> 1462324451.42488790 Hartree integrate/restrict (229.08890s) started
T12 << 1462324451.46971107 Hartree integrate/restrict (229.13373s) stopped
T12 >> 1462324451.46980810 Hartree integrate/restrict (229.13379s) started
T12 << 1462324451.78388691 Hartree integrate/restrict (229.44787s) stopped
T12 >> 1462324451.78397489 Atomic (1473.30965s) started
T12 >> 1462324451.78569102 XC Correction (0.02042s) started
T12 << 1462324451.78570604 XC Correction (0.02044s) stopped
T12 << 1462324454.19014907 Atomic (1475.71582s) stopped
T12 >> 1462324454.19030190 Communicate (7572.19762s) started
T12 << 1462324470.86420798 Communicate (7588.87152s) stopped
T12 << 1462324470.86424708 Hamiltonian (30435.26445s) stopped
T12 >> 1462324470.86427307 LCAO eigensolver (42976.93121s) started
T12 >> 1462324470.86428595 Potential matrix (642.64273s) started
T12 << 1462324471.83262706 Potential matrix (643.61107s) stopped
T12 >> 1462324471.83271408 DistributedAtomicCorrection (268.38332s) started
T12 << 1462324472.27266407 DistributedAtomicCorrection (268.82327s) stopped
T12 >> 1462324472.27272606 Distribute overlap matrix (4943.98757s) started
T12 >> 1462324472.27274799 blocked summation (2758.61180s) started
T12 << 1462324476.89815688 blocked summation (2763.23721s) stopped
T12 >> 1462324476.90772295 Scalapack redistribute (2178.88338s) started
T12 << 1462324480.42542291 Scalapack redistribute (2182.40108s) stopped
T12 << 1462324480.42552400 Distribute overlap matrix (4952.14036s) stopped
T12 >> 1462324480.43053603 Blacs Orbital Layouts (35949.20515s) started
T12 >> 1462324480.43937707 General diagonalize (35804.44089s) started
T12 << 1462324533.40370297 General diagonalize (35857.40522s) stopped
T12 >> 1462324533.40374899 Redistribute coefs (5.46405s) started
T12 << 1462324533.41203308 Redistribute coefs (5.47234s) stopped
T12 >> 1462324533.41210699 Send coefs to domains (133.24967s) started
T12 << 1462324533.55721307 Send coefs to domains (133.39478s) stopped
T12 << 1462324533.55777788 Blacs Orbital Layouts (36002.33239s) stopped
T12 >> 1462324533.55780792 Calculate projections (1169.46237s) started
T12 << 1462324535.32686806 Calculate projections (1171.23143s) stopped
T12 << 1462324535.32721591 LCAO eigensolver (43041.39415s) stopped
T12 >> 1462324538.39613605 Density (10153.37983s) started
T12 >> 1462324538.39615202 Pseudo density (7835.90551s) started
T12 >> 1462324538.39849496 Calculate density matrix (7358.79022s) started
T12 << 1462324550.37777901 Calculate density matrix (7370.76950s) stopped
T12 >> 1462324550.37783003 Construct density (464.67596s) started
T12 << 1462324551.14957404 Construct density (465.44771s) stopped
T12 >> 1462324551.16370893 Symmetrize density (0.05259s) started
T12 << 1462324551.16377211 Symmetrize density (0.05265s) stopped
T12 << 1462324551.16585803 Pseudo density (7848.67522s) stopped
T12 >> 1462324551.16591811 Atomic density matrices (2045.02187s) started
T12 << 1462324554.54348707 Atomic density matrices (2048.39944s) stopped
T12 >> 1462324554.54352093 Multipole moments (7.47043s) started
T12 << 1462324554.55883098 Multipole moments (7.48574s) stopped
T12 >> 1462324554.55886102 Normalize (4.17825s) started
T12 << 1462324554.56510305 Normalize (4.18449s) stopped
T12 >> 1462324554.56518102 Mix (260.75506s) started
T12 << 1462324554.99123311 Mix (261.18111s) stopped
T12 << 1462324554.99129891 Density (10169.97499s) stopped
T12 >> 1462324554.99133301 Hamiltonian (30435.26446s) started
T12 >> 1462324554.99134994 vbar (16.47634s) started
T12 << 1462324555.01876497 vbar (16.50375s) stopped
T12 >> 1462324555.01885605 XC 3D grid (17458.59343s) started
T12 >> 1462324555.55778790 van der Waals (16862.19416s) started
T12 >> 1462324555.66807890 semilocal (3562.49598s) started
T12 << 1462324561.48123193 semilocal (3568.30913s) stopped
T12 >> 1462324561.56293893 redistribute (1815.29743s) started
T12 << 1462324562.53676295 redistribute (1816.27125s) stopped
T12 >> 1462324562.53684306 libvdwxc nonlocal (11366.80373s) started
T12 << 1462324580.95712900 libvdwxc nonlocal (11385.22401s) stopped
T12 >> 1462324580.95719194 redistribute (1816.27132s) started
T12 << 1462324582.74894905 redistribute (1818.06307s) stopped
T12 << 1462324582.75063300 van der Waals (16889.38700s) stopped
T12 << 1462324583.18935204 XC 3D grid (17486.76392s) stopped
T12 >> 1462324583.18941092 Poisson (3665.91600s) started
T12 << 1462324587.57770395 Poisson (3670.30429s) stopped
T12 >> 1462324587.57782197 Hartree integrate/restrict (229.44792s) started
T12 << 1462324587.62157893 Hartree integrate/restrict (229.49168s) stopped
T12 >> 1462324587.62162495 Hartree integrate/restrict (229.49170s) started
T12 << 1462324587.93867207 Hartree integrate/restrict (229.80875s) stopped
T12 >> 1462324587.93877292 Atomic (1475.71584s) started
T12 >> 1462324587.94052601 XC Correction (0.02045s) started
T12 << 1462324587.94054103 XC Correction (0.02046s) stopped
T12 << 1462324590.34876895 Atomic (1478.12584s) stopped
T12 >> 1462324590.34892392 Communicate (7588.87155s) started
T12 << 1462324607.34111404 Communicate (7605.86374s) stopped
T12 << 1462324607.34114909 Hamiltonian (30487.61428s) stopped
T12 >> 1462324607.34117508 LCAO eigensolver (43041.39417s) started
T12 >> 1462324607.34118891 Potential matrix (643.61112s) started
T12 << 1462324608.31334805 Potential matrix (644.58328s) stopped
T12 >> 1462324608.31341910 DistributedAtomicCorrection (268.82331s) started
T12 << 1462324608.75636005 DistributedAtomicCorrection (269.26625s) stopped
T12 >> 1462324608.75642109 Distribute overlap matrix (4952.14038s) started
T12 >> 1462324608.75644398 blocked summation (2763.23724s) started
T12 << 1462324613.41818404 blocked summation (2767.89898s) stopped
T12 >> 1462324613.42748189 Scalapack redistribute (2182.40114s) started
T12 << 1462324616.91754794 Scalapack redistribute (2185.89121s) stopped
T12 << 1462324616.91765809 Distribute overlap matrix (4960.30161s) stopped
T12 >> 1462324616.92223001 Blacs Orbital Layouts (36002.33242s) started
T12 >> 1462324616.93114090 General diagonalize (35857.40525s) started
T12 << 1462324670.95080090 General diagonalize (35911.42491s) stopped
T12 >> 1462324670.95087290 Redistribute coefs (5.47240s) started
T12 << 1462324670.95951796 Redistribute coefs (5.48104s) stopped
T12 >> 1462324670.95959496 Send coefs to domains (133.39481s) started
T12 << 1462324671.09263301 Send coefs to domains (133.52785s) stopped
T12 << 1462324671.09296203 Blacs Orbital Layouts (36056.50315s) stopped
T12 >> 1462324671.09298992 Calculate projections (1171.23148s) started
T12 << 1462324672.86116099 Calculate projections (1172.99965s) stopped
T12 << 1462324672.86152506 LCAO eigensolver (43106.91452s) stopped
T12 >> 1462324675.93065500 Density (10169.97501s) started
T12 >> 1462324675.93067098 Pseudo density (7848.67527s) started
T12 >> 1462324675.93292999 Calculate density matrix (7370.76954s) started
T12 << 1462324688.11620092 Calculate density matrix (7382.95281s) stopped
T12 >> 1462324688.11624789 Construct density (465.44776s) started
T12 << 1462324688.88747597 Construct density (466.21899s) stopped
T12 >> 1462324688.90253901 Symmetrize density (0.05267s) started
T12 << 1462324688.90260196 Symmetrize density (0.05273s) stopped
T12 << 1462324688.90466404 Pseudo density (7861.64926s) stopped
T12 >> 1462324688.90472102 Atomic density matrices (2048.39946s) started
T12 << 1462324692.36700702 Atomic density matrices (2051.86175s) stopped
T12 >> 1462324692.36704111 Multipole moments (7.48576s) started
T12 << 1462324692.38235211 Multipole moments (7.50107s) stopped
T12 >> 1462324692.38238096 Normalize (4.18455s) started
T12 << 1462324692.38865900 Normalize (4.19083s) stopped
T12 >> 1462324692.38874197 Mix (261.18117s) started
T12 << 1462324692.79791689 Mix (261.59035s) stopped
T12 << 1462324692.79802608 Density (10186.84238s) stopped
T12 >> 1462324692.79806495 Hamiltonian (30487.61429s) started
T12 >> 1462324692.79808402 vbar (16.50380s) started
T12 << 1462324692.83164096 vbar (16.53736s) stopped
T12 >> 1462324692.83174300 XC 3D grid (17486.76397s) started
T12 >> 1462324693.34501910 van der Waals (16889.38705s) started
T12 >> 1462324693.45454788 semilocal (3568.30922s) started
T12 << 1462324699.23026109 semilocal (3574.08493s) stopped
T12 >> 1462324699.31442499 redistribute (1818.06316s) started
T12 << 1462324700.32948089 redistribute (1819.07821s) stopped
T12 >> 1462324700.32954597 libvdwxc nonlocal (11385.22406s) started
T12 << 1462324719.77765799 libvdwxc nonlocal (11404.67217s) stopped
T12 >> 1462324719.77772307 redistribute (1819.07826s) started
T12 << 1462324721.51915598 redistribute (1820.81970s) stopped
T12 << 1462324721.52039003 van der Waals (16917.56242s) stopped
T12 << 1462324721.98060989 XC 3D grid (17515.91284s) stopped
T12 >> 1462324721.98065400 Poisson (3670.30439s) started
T12 << 1462324725.03355289 Poisson (3673.35729s) stopped
T12 >> 1462324725.03362107 Hartree integrate/restrict (229.80881s) started
T12 << 1462324725.08938003 Hartree integrate/restrict (229.86457s) stopped
T12 >> 1462324725.08943105 Hartree integrate/restrict (229.86460s) started
T12 << 1462324725.41798711 Hartree integrate/restrict (230.19315s) stopped
T12 >> 1462324725.41807389 Atomic (1478.12587s) started
T12 >> 1462324725.41990709 XC Correction (0.02047s) started
T12 << 1462324725.41993499 XC Correction (0.02050s) stopped
T12 << 1462324727.82878709 Atomic (1480.53658s) stopped
T12 >> 1462324727.82893896 Communicate (7605.86376s) started
T12 << 1462324744.91112399 Communicate (7622.94595s) stopped
T12 << 1462324744.91115904 Hamiltonian (30539.72739s) stopped
T12 >> 1462324744.91118503 LCAO eigensolver (43106.91454s) started
T12 >> 1462324744.91119790 Potential matrix (644.58332s) started
T12 << 1462324745.88283706 Potential matrix (645.55496s) stopped
T12 >> 1462324745.88290811 DistributedAtomicCorrection (269.26629s) started
T12 << 1462324746.32540607 DistributedAtomicCorrection (269.70878s) stopped
T12 >> 1462324746.32546592 Distribute overlap matrix (4960.30163s) started
T12 >> 1462324746.32548904 blocked summation (2767.89901s) started
T12 << 1462324750.96914291 blocked summation (2772.54267s) stopped
T12 >> 1462324750.97872305 Scalapack redistribute (2185.89127s) started
T12 << 1462324754.40891409 Scalapack redistribute (2189.32146s) stopped
T12 << 1462324754.40899491 Distribute overlap matrix (4968.38515s) stopped
T12 >> 1462324754.41381788 Blacs Orbital Layouts (36056.50317s) started
T12 >> 1462324754.42236304 General diagonalize (35911.42497s) started
T12 << 1462324809.15786910 General diagonalize (35966.16048s) stopped
T12 >> 1462324809.15792108 Redistribute coefs (5.48110s) started
T12 << 1462324809.16726899 Redistribute coefs (5.49045s) stopped
T12 >> 1462324809.16731691 Send coefs to domains (133.52788s) started
T12 << 1462324809.27494407 Send coefs to domains (133.63551s) stopped
T12 << 1462324809.27557898 Blacs Orbital Layouts (36111.36493s) stopped
T12 >> 1462324809.27561092 Calculate projections (1172.99970s) started
T12 << 1462324811.05388689 Calculate projections (1174.77797s) stopped
T12 << 1462324811.05433989 LCAO eigensolver (43173.05770s) stopped
T12 << 1462324814.14074612 SCF-cycle (86019.66533s) stopped
T12 >> 1462324816.19243598 Force calculation (3930.94598s) started
T12 >> 1462324816.19253492 LCAO forces (3888.35588s) started
T12 >> 1462324816.19292903 Initial (0.00113s) started
T12 << 1462324816.19294000 Initial (0.00114s) stopped
T12 >> 1462324816.19963789 Get density matrix (2032.97609s) started
T12 << 1462324825.34765196 Get density matrix (2042.12411s) stopped
T12 >> 1462324825.34770298 Potential (307.04657s) started
T12 << 1462324831.51031590 Potential (313.20918s) stopped
T12 >> 1462324831.51037502 Get density matrix (2042.12415s) started
T12 << 1462324862.84583807 Get density matrix (2073.45961s) stopped
T12 >> 1462324862.84590411 Prepare TCI loop (108.10437s) started
T12 >> 1462324862.84646797 Get neighbors (97.17008s) started
T12 << 1462324864.88587308 Get neighbors (99.20949s) stopped
T12 >> 1462324864.88677692 broadcast dH (10.87581s) started
T12 << 1462324865.14264798 broadcast dH (11.13168s) stopped
T12 << 1462324865.14269400 Prepare TCI loop (110.40116s) stopped
T12 >> 1462324865.14271402 Not so complicated loop (5.95169s) started
T12 << 1462324865.26613092 Not so complicated loop (6.07510s) stopped
T12 >> 1462324865.39316010 Complicated loop (937.45963s) started
T12 << 1462324885.15108490 Complicated loop (957.21756s) stopped
T12 >> 1462324885.15208101 Wait for sum (490.41566s) started
T12 << 1462324895.28154898 Wait for sum (500.54512s) stopped
T12 << 1462324895.28158808 LCAO forces (3967.44493s) stopped
T12 << 1462324896.17246199 Force calculation (4010.92600s) stopped
T12 >> 1462324896.19056296 Initialization (6539.39139s) started
T12 << 1462324896.19074512 Initialization (6539.39158s) stopped
T12 >> 1462324896.19098711 Initialization (6539.39159s) started
T12 << 1462324896.19112611 Initialization (6539.39173s) stopped
T12 >> 1462324896.19126797 Initialization (6539.39174s) started
T12 << 1462324896.19140100 Initialization (6539.39188s) stopped
T12 >> 1462324916.55452991 Initialization (6539.39190s) started
T12 >> 1462324916.60799694 Basic WFS set positions (4.49993s) started
T12 >> 1462324916.60801911 Redistribute (0.01427s) started
T12 << 1462324916.60814595 Redistribute (0.01440s) stopped
T12 << 1462324916.69656706 Basic WFS set positions (4.58850s) stopped
T12 >> 1462324916.69659209 Basis functions set positions (93.88188s) started
T12 << 1462324918.75711393 Basis functions set positions (95.94240s) stopped
T12 >> 1462324918.75790501 TCI: Calculate S, T, P (781.06009s) started
T12 << 1462324934.65633893 TCI: Calculate S, T, P (796.95852s) stopped
T12 >> 1462324934.65640306 blocked summation (1222.26959s) started
T12 << 1462324966.65074492 blocked summation (1254.26393s) stopped
T12 >> 1462324966.66037989 Scalapack redistribute (466.87976s) started
T12 << 1462324974.51554608 Scalapack redistribute (474.73493s) stopped
T12 >> 1462324974.51672912 blocked summation (1254.26397s) started
T12 << 1462324975.58657503 blocked summation (1255.33381s) stopped
T12 >> 1462324975.59537506 Scalapack redistribute (474.73497s) started
T12 << 1462324975.86025906 Scalapack redistribute (474.99985s) stopped
T12 >> 1462324975.86291099 Redistribute (0.10927s) started
T12 << 1462324975.86347604 Redistribute (0.10984s) stopped
T12 >> 1462324977.61231995 Redistribute (0.10986s) started
T12 << 1462324977.61280394 Redistribute (0.11034s) stopped
T12 >> 1462324977.63556409 LCAO WFS Initialize (3870.18721s) started
T12 >> 1462324977.63560104 Density initialize from wavefunctions (731.46673s) started
T12 >> 1462324977.63969493 Calculate density matrix (506.25126s) started
T12 << 1462324987.48759508 Calculate density matrix (516.09916s) stopped
T12 >> 1462324987.48765206 Construct density (38.46505s) started
T12 << 1462324988.25839090 Construct density (39.23579s) stopped
T12 >> 1462324988.27232790 Symmetrize density (0.00420s) started
T12 << 1462324988.27239299 Symmetrize density (0.00427s) stopped
T12 << 1462324992.06266499 Density initialize from wavefunctions (745.89380s) stopped
T12 >> 1462324992.06295991 Hamiltonian (3137.79093s) started
T12 >> 1462324992.06297898 vbar (1.43955s) started
T12 << 1462324992.08727193 vbar (1.46384s) stopped
T12 >> 1462324992.08738708 XC 3D grid (1481.62803s) started
T12 >> 1462324992.63243008 van der Waals (1431.27702s) started
T12 >> 1462324992.74343705 semilocal (301.14966s) started
T12 << 1462324998.57818103 semilocal (306.98441s) stopped
T12 >> 1462324998.65280604 redistribute (164.04205s) started
T12 << 1462324999.60254312 redistribute (164.99178s) stopped
T12 >> 1462324999.60260797 libvdwxc nonlocal (956.11352s) started
T12 << 1462325017.47422600 libvdwxc nonlocal (973.98514s) stopped
T12 >> 1462325017.47429991 redistribute (164.99182s) started
T12 << 1462325019.50504804 redistribute (167.02257s) stopped
T12 << 1462325019.50606799 van der Waals (1458.15066s) stopped
T12 << 1462325019.97168994 XC 3D grid (1509.51233s) stopped
T12 >> 1462325019.97176003 Poisson (754.28586s) started
T12 << 1462325031.51064396 Poisson (765.82475s) stopped
T12 >> 1462325031.51074004 Hartree integrate/restrict (19.39687s) started
T12 << 1462325031.54995108 Hartree integrate/restrict (19.43608s) stopped
T12 >> 1462325031.55004001 Hartree integrate/restrict (19.43614s) started
T12 << 1462325031.88290501 Hartree integrate/restrict (19.76900s) stopped
T12 >> 1462325031.88300610 Atomic (123.20942s) started
T12 >> 1462325031.88522410 XC Correction (0.00190s) started
T12 << 1462325031.88523889 XC Correction (0.00192s) stopped
T12 << 1462325034.28922892 Atomic (125.61564s) stopped
T12 >> 1462325034.28942108 Communicate (757.78459s) started
T12 << 1462325053.24709606 Communicate (776.74226s) stopped
T12 << 1462325053.24713206 Hamiltonian (3198.97510s) stopped
T12 << 1462325053.24714589 LCAO WFS Initialize (3945.79879s) stopped
T12 << 1462325053.25946999 Initialization (6676.09684s) stopped
T12 >> 1462325053.28629088 SCF-cycle (86019.66536s) started
T12 >> 1462325053.28632998 LCAO eigensolver (43173.05772s) started
T12 >> 1462325053.28634310 Potential matrix (645.55500s) started
T12 << 1462325054.25758410 Potential matrix (646.52624s) stopped
T12 >> 1462325054.25766706 DistributedAtomicCorrection (269.70882s) started
T12 << 1462325054.70366597 DistributedAtomicCorrection (270.15482s) stopped
T12 >> 1462325054.70371389 Distribute overlap matrix (4968.38517s) started
T12 >> 1462325054.70374894 blocked summation (2772.54270s) started
T12 << 1462325059.37313795 blocked summation (2777.21209s) stopped
T12 >> 1462325059.38262200 Scalapack redistribute (2189.32151s) started
T12 << 1462325062.80367303 Scalapack redistribute (2192.74256s) stopped
T12 << 1462325062.80376911 Distribute overlap matrix (4976.48522s) stopped
T12 >> 1462325062.80894399 Blacs Orbital Layouts (36111.36495s) started
T12 >> 1462325062.81763291 General diagonalize (35966.16052s) started
T12 << 1462325118.29842591 General diagonalize (36021.64131s) stopped
T12 >> 1462325118.29847097 Redistribute coefs (5.49049s) started
T12 << 1462325118.30634594 Redistribute coefs (5.49836s) stopped
T12 >> 1462325118.30642009 Send coefs to domains (133.63555s) started
T12 << 1462325118.50177097 Send coefs to domains (133.83090s) stopped
T12 << 1462325118.50244689 Blacs Orbital Layouts (36167.05845s) stopped
T12 >> 1462325118.50247598 Calculate projections (1174.77803s) started
T12 << 1462325120.27116609 Calculate projections (1176.54672s) stopped
T12 << 1462325120.27170205 LCAO eigensolver (43240.04309s) stopped
T12 >> 1462325123.34198809 Density (10186.84240s) started
T12 >> 1462325123.34200311 Pseudo density (7861.64931s) started
T12 >> 1462325123.34504795 Calculate density matrix (7382.95284s) started
T12 << 1462325135.18027711 Calculate density matrix (7394.78807s) stopped
T12 >> 1462325135.18032503 Construct density (466.21903s) started
T12 << 1462325135.95359802 Construct density (466.99231s) stopped
T12 >> 1462325135.96961689 Symmetrize density (0.05275s) started
T12 << 1462325135.96968198 Symmetrize density (0.05281s) stopped
T12 << 1462325135.97215700 Pseudo density (7874.27946s) stopped
T12 >> 1462325135.97221494 Atomic density matrices (2051.86177s) started
T12 << 1462325139.40195799 Atomic density matrices (2055.29151s) stopped
T12 >> 1462325139.40199304 Multipole moments (7.50108s) started
T12 << 1462325139.41762590 Multipole moments (7.51672s) stopped
T12 >> 1462325139.41765094 Normalize (4.19089s) started
T12 << 1462325139.42453694 Normalize (4.19778s) stopped
T12 >> 1462325139.42458105 Mix (261.59046s) started
T12 << 1462325139.82922101 Mix (261.99510s) stopped
T12 << 1462325139.82928896 Density (10203.32970s) stopped
T12 >> 1462325139.82931805 Hamiltonian (30539.72740s) started
T12 >> 1462325139.82933307 vbar (16.53742s) started
T12 << 1462325139.85531807 vbar (16.56341s) stopped
T12 >> 1462325139.85545897 XC 3D grid (17515.91287s) started
T12 >> 1462325140.32923889 van der Waals (16917.56245s) started
T12 >> 1462325140.44486904 semilocal (3574.08504s) started
T12 << 1462325146.22723198 semilocal (3579.86740s) stopped
T12 >> 1462325146.30220389 redistribute (1820.81973s) started
T12 << 1462325147.28429103 redistribute (1821.80182s) stopped
T12 >> 1462325147.28433609 libvdwxc nonlocal (11404.67222s) started
T12 << 1462325165.82006311 libvdwxc nonlocal (11423.20795s) stopped
T12 >> 1462325165.82012701 redistribute (1821.80185s) started
T12 << 1462325167.52705097 redistribute (1823.50877s) stopped
T12 << 1462325167.52818394 van der Waals (16944.76139s) stopped
T12 << 1462325167.98829699 XC 3D grid (17544.04571s) stopped
T12 >> 1462325167.98833990 Poisson (3673.35733s) started
T12 << 1462325172.38266110 Poisson (3677.75166s) stopped
T12 >> 1462325172.38278103 Hartree integrate/restrict (230.19320s) started
T12 << 1462325172.43531895 Hartree integrate/restrict (230.24573s) stopped
T12 >> 1462325172.43541503 Hartree integrate/restrict (230.24580s) started
T12 << 1462325172.76883698 Hartree integrate/restrict (230.57922s) stopped
T12 >> 1462325172.76895094 Atomic (1480.53661s) started
T12 >> 1462325172.77172494 XC Correction (0.02052s) started
T12 << 1462325172.77174497 XC Correction (0.02054s) stopped
T12 << 1462325175.15942788 Atomic (1482.92709s) stopped
T12 >> 1462325175.15960312 Communicate (7622.94597s) started
T12 << 1462325194.08258390 Communicate (7641.86895s) stopped
T12 << 1462325194.08262205 Hamiltonian (30593.98071s) stopped
T12 >> 1462325194.08264589 LCAO eigensolver (43240.04311s) started
T12 >> 1462325194.08265901 Potential matrix (646.52629s) started
T12 << 1462325195.06404090 Potential matrix (647.50767s) stopped
T12 >> 1462325195.06411505 DistributedAtomicCorrection (270.15486s) started
T12 << 1462325195.50615811 DistributedAtomicCorrection (270.59690s) stopped
T12 >> 1462325195.50620604 Distribute overlap matrix (4976.48523s) started
T12 >> 1462325195.50623608 blocked summation (2777.21212s) started
T12 << 1462325200.06399989 blocked summation (2781.76989s) stopped
T12 >> 1462325200.07381797 Scalapack redistribute (2192.74262s) started
T12 << 1462325203.64485312 Scalapack redistribute (2196.31365s) stopped
T12 << 1462325203.64494991 Distribute overlap matrix (4984.62398s) stopped
T12 >> 1462325203.64985800 Blacs Orbital Layouts (36167.05847s) started
T12 >> 1462325203.65843201 General diagonalize (36021.64135s) started
T12 << 1462325258.98650503 General diagonalize (36076.96943s) stopped
T12 >> 1462325258.98660994 Redistribute coefs (5.49842s) started
T12 << 1462325258.99408507 Redistribute coefs (5.50590s) stopped
T12 >> 1462325258.99416709 Send coefs to domains (133.83093s) started
T12 << 1462325259.09849811 Send coefs to domains (133.93526s) stopped
T12 << 1462325259.09890509 Blacs Orbital Layouts (36222.50752s) stopped
T12 >> 1462325259.09893298 Calculate projections (1176.54676s) started
T12 << 1462325260.86689210 Calculate projections (1178.31472s) stopped
T12 << 1462325260.86727500 LCAO eigensolver (43306.82773s) stopped
T12 >> 1462325263.93634701 Density (10203.32971s) started
T12 >> 1462325263.93636107 Pseudo density (7874.27951s) started
T12 >> 1462325263.94004893 Calculate density matrix (7394.78810s) started
T12 << 1462325275.79219604 Calculate density matrix (7406.64025s) stopped
T12 >> 1462325275.79224610 Construct density (466.99236s) started
T12 << 1462325276.56434703 Construct density (467.76446s) stopped
T12 >> 1462325276.58101606 Symmetrize density (0.05283s) started
T12 << 1462325276.58108401 Symmetrize density (0.05290s) stopped
T12 << 1462325276.58349490 Pseudo density (7886.92664s) stopped
T12 >> 1462325276.58355093 Atomic density matrices (2055.29154s) started
T12 << 1462325280.04834294 Atomic density matrices (2058.75633s) stopped
T12 >> 1462325280.04837489 Multipole moments (7.51673s) started
T12 << 1462325280.06370807 Multipole moments (7.53207s) stopped
T12 >> 1462325280.06373191 Normalize (4.19781s) started
T12 << 1462325280.07156491 Normalize (4.20564s) stopped
T12 >> 1462325280.07161093 Mix (261.99516s) started
T12 << 1462325280.48098898 Mix (262.40454s) stopped
T12 << 1462325280.48105001 Density (10219.87442s) stopped
T12 >> 1462325280.48107791 Hamiltonian (30593.98072s) started
T12 >> 1462325280.48109293 vbar (16.56348s) started
T12 << 1462325280.51246190 vbar (16.59485s) stopped
T12 >> 1462325280.51258898 XC 3D grid (17544.04574s) started
T12 >> 1462325280.98187804 van der Waals (16944.76142s) started
T12 >> 1462325281.09949708 semilocal (3579.86748s) started
T12 << 1462325286.79810596 semilocal (3585.56609s) stopped
T12 >> 1462325286.88540602 redistribute (1823.50883s) started
T12 << 1462325287.95062804 redistribute (1824.57405s) stopped
T12 >> 1462325287.95067096 libvdwxc nonlocal (11423.20800s) started
T12 << 1462325306.83768392 libvdwxc nonlocal (11442.09501s) stopped
T12 >> 1462325306.83774710 redistribute (1824.57408s) started
T12 << 1462325308.52534509 redistribute (1826.26168s) stopped
T12 << 1462325308.52658391 van der Waals (16972.30613s) stopped
T12 << 1462325308.99345303 XC 3D grid (17572.52661s) stopped
T12 >> 1462325308.99349499 Poisson (3677.75175s) started
T12 << 1462325320.72014403 Poisson (3689.47840s) stopped
T12 >> 1462325320.72021389 Hartree integrate/restrict (230.57928s) started
T12 << 1462325320.77104211 Hartree integrate/restrict (230.63010s) stopped
T12 >> 1462325320.77114201 Hartree integrate/restrict (230.63018s) started
T12 << 1462325321.13294911 Hartree integrate/restrict (230.99198s) stopped
T12 >> 1462325321.13303804 Atomic (1482.92711s) started
T12 >> 1462325321.13539195 XC Correction (0.02055s) started
T12 << 1462325321.13543200 XC Correction (0.02059s) stopped
T12 << 1462325323.52336097 Atomic (1485.31743s) stopped
T12 >> 1462325323.52353501 Communicate (7641.86898s) started
T12 << 1462325342.53117299 Communicate (7660.87662s) stopped
T12 << 1462325342.53121209 Hamiltonian (30656.03085s) stopped
T12 >> 1462325342.53123593 LCAO eigensolver (43306.82775s) started
T12 >> 1462325342.53124905 Potential matrix (647.50771s) started
T12 << 1462325343.50594902 Potential matrix (648.48241s) stopped
T12 >> 1462325343.50601912 DistributedAtomicCorrection (270.59694s) started
T12 << 1462325343.93911099 DistributedAtomicCorrection (271.03004s) stopped
T12 >> 1462325343.93915796 Distribute overlap matrix (4984.62399s) started
T12 >> 1462325343.93918490 blocked summation (2781.76992s) started
T12 << 1462325348.63368297 blocked summation (2786.46442s) stopped
T12 >> 1462325348.64347196 Scalapack redistribute (2196.31371s) started
T12 << 1462325352.11768389 Scalapack redistribute (2199.78792s) stopped
T12 << 1462325352.11778808 Distribute overlap matrix (4992.80262s) stopped
T12 >> 1462325352.12230992 Blacs Orbital Layouts (36222.50754s) started
T12 >> 1462325352.13086200 General diagonalize (36076.96952s) started
T12 << 1462325408.03441310 General diagonalize (36132.87307s) stopped
T12 >> 1462325408.03445697 Redistribute coefs (5.50596s) started
T12 << 1462325408.04178309 Redistribute coefs (5.51329s) stopped
T12 >> 1462325408.04187608 Send coefs to domains (133.93530s) started
T12 << 1462325408.29263496 Send coefs to domains (134.18606s) stopped
T12 << 1462325408.29312992 Blacs Orbital Layouts (36278.67836s) stopped
T12 >> 1462325408.29315710 Calculate projections (1178.31478s) started
T12 << 1462325410.06982803 Calculate projections (1180.09145s) stopped
T12 << 1462325410.07002091 LCAO eigensolver (43374.36654s) stopped
T12 >> 1462325413.13785601 Density (10219.87443s) started
T12 >> 1462325413.13787198 Pseudo density (7886.92669s) started
T12 >> 1462325413.14183998 Calculate density matrix (7406.64028s) started
T12 << 1462325424.94387102 Calculate density matrix (7418.44232s) stopped
T12 >> 1462325424.94392109 Construct density (467.76451s) started
T12 << 1462325425.71428990 Construct density (468.53488s) stopped
T12 >> 1462325425.73035693 Symmetrize density (0.05292s) started
T12 << 1462325425.73041892 Symmetrize density (0.05298s) stopped
T12 << 1462325425.73283505 Pseudo density (7899.52165s) stopped
T12 >> 1462325425.73289204 Atomic density matrices (2058.75636s) started
T12 << 1462325429.17508602 Atomic density matrices (2062.19855s) stopped
T12 >> 1462325429.17511892 Multipole moments (7.53208s) started
T12 << 1462325429.19078803 Multipole moments (7.54775s) stopped
T12 >> 1462325429.19082093 Normalize (4.20568s) started
T12 << 1462325429.20153904 Normalize (4.21639s) stopped
T12 >> 1462325429.20161104 Mix (262.40460s) started
T12 << 1462325429.63951397 Mix (262.84250s) stopped
T12 << 1462325429.63955092 Density (10236.37613s) stopped
T12 >> 1462325429.63957596 Hamiltonian (30656.03086s) started
T12 >> 1462325429.63959002 vbar (16.59493s) started
T12 << 1462325429.67382789 vbar (16.62917s) stopped
T12 >> 1462325429.67400908 XC 3D grid (17572.52664s) started
T12 >> 1462325430.14963889 van der Waals (16972.30615s) started
T12 >> 1462325430.26429391 semilocal (3585.56626s) started
T12 << 1462325436.05991006 semilocal (3591.36188s) stopped
T12 >> 1462325436.13439107 redistribute (1826.26174s) started
T12 << 1462325437.12874794 redistribute (1827.25609s) stopped
T12 >> 1462325437.12878990 libvdwxc nonlocal (11442.09506s) started
T12 << 1462325455.58898211 libvdwxc nonlocal (11460.55525s) stopped
T12 >> 1462325455.58904696 redistribute (1827.25612s) started
T12 << 1462325457.28027105 redistribute (1828.94735s) stopped
T12 << 1462325457.28127694 van der Waals (16999.43779s) stopped
T12 << 1462325457.74787903 XC 3D grid (17600.60051s) stopped
T12 >> 1462325457.74793506 Poisson (3689.47845s) started
T12 << 1462325463.59026194 Poisson (3695.32078s) stopped
T12 >> 1462325463.59036994 Hartree integrate/restrict (230.99202s) started
T12 << 1462325463.63498497 Hartree integrate/restrict (231.03664s) stopped
T12 >> 1462325463.63508511 Hartree integrate/restrict (231.03671s) started
T12 << 1462325463.98247600 Hartree integrate/restrict (231.38410s) stopped
T12 >> 1462325463.98254800 Atomic (1485.31745s) started
T12 >> 1462325463.98427391 XC Correction (0.02060s) started
T12 << 1462325463.98428893 XC Correction (0.02062s) stopped
T12 << 1462325466.35163212 Atomic (1487.68654s) stopped
T12 >> 1462325466.35181403 Communicate (7660.87664s) started
T12 << 1462325485.31882191 Communicate (7679.84365s) stopped
T12 << 1462325485.31885695 Hamiltonian (30711.71014s) stopped
T12 >> 1462325485.31888103 LCAO eigensolver (43374.36656s) started
T12 >> 1462325485.31889391 Potential matrix (648.48246s) started
T12 << 1462325486.29022408 Potential matrix (649.45379s) stopped
T12 >> 1462325486.29031110 DistributedAtomicCorrection (271.03007s) started
T12 << 1462325486.72264194 DistributedAtomicCorrection (271.46241s) stopped
T12 >> 1462325486.72271395 Distribute overlap matrix (4992.80263s) started
T12 >> 1462325486.72274303 blocked summation (2786.46445s) started
T12 << 1462325491.37431192 blocked summation (2791.11602s) stopped
T12 >> 1462325491.38303709 Scalapack redistribute (2199.78798s) started
T12 << 1462325494.76463604 Scalapack redistribute (2203.16958s) stopped
T12 << 1462325494.76472712 Distribute overlap matrix (5000.84465s) stopped
T12 >> 1462325494.76930189 Blacs Orbital Layouts (36278.67838s) started
T12 >> 1462325494.77845001 General diagonalize (36132.87311s) started
T12 << 1462325549.82509303 General diagonalize (36187.91975s) stopped
T12 >> 1462325549.82514000 Redistribute coefs (5.51337s) started
T12 << 1462325549.83218908 Redistribute coefs (5.52041s) stopped
T12 >> 1462325549.83230209 Send coefs to domains (134.18609s) started
T12 << 1462325550.08168292 Send coefs to domains (134.43547s) stopped
T12 << 1462325550.08202791 Blacs Orbital Layouts (36333.99110s) stopped
T12 >> 1462325550.08205700 Calculate projections (1180.09150s) started
T12 << 1462325551.85027909 Calculate projections (1181.85972s) stopped
T12 << 1462325551.85046792 LCAO eigensolver (43440.89814s) stopped
T12 >> 1462325554.91888595 Density (10236.37614s) started
T12 >> 1462325554.91890097 Pseudo density (7899.52170s) started
T12 >> 1462325554.92216802 Calculate density matrix (7418.44235s) started
T12 << 1462325566.76211596 Calculate density matrix (7430.28229s) stopped
T12 >> 1462325566.76216412 Construct density (468.53493s) started
T12 << 1462325567.53525400 Construct density (469.30802s) stopped
T12 >> 1462325567.55169392 Symmetrize density (0.05299s) started
T12 << 1462325567.55175805 Symmetrize density (0.05306s) stopped
T12 << 1462325567.55419993 Pseudo density (7912.15700s) stopped
T12 >> 1462325567.55425811 Atomic density matrices (2062.19858s) started
T12 << 1462325571.00744390 Atomic density matrices (2065.65176s) stopped
T12 >> 1462325571.00747609 Multipole moments (7.54777s) started
T12 << 1462325571.02313590 Multipole moments (7.56343s) stopped
T12 >> 1462325571.02316809 Normalize (4.21645s) started
T12 << 1462325571.02968502 Normalize (4.22297s) stopped
T12 >> 1462325571.02972603 Mix (262.84254s) started
T12 << 1462325571.47590089 Mix (263.28871s) stopped
T12 << 1462325571.47597909 Density (10252.93323s) stopped
T12 >> 1462325571.47600889 Hamiltonian (30711.71016s) started
T12 >> 1462325571.47602391 vbar (16.62928s) started
T12 << 1462325571.51166391 vbar (16.66492s) stopped
T12 >> 1462325571.51178002 XC 3D grid (17600.60055s) started
T12 >> 1462325571.96804905 van der Waals (16999.43781s) started
T12 >> 1462325572.08064890 semilocal (3591.36198s) started
T12 << 1462325577.87407804 semilocal (3597.15541s) stopped
T12 >> 1462325577.95375299 redistribute (1828.94741s) started
T12 << 1462325578.92132211 redistribute (1829.91497s) stopped
T12 >> 1462325578.92136693 libvdwxc nonlocal (11460.55530s) started
T12 << 1462325597.80742407 libvdwxc nonlocal (11479.44136s) stopped
T12 >> 1462325597.80748391 redistribute (1829.91501s) started
T12 << 1462325599.58061910 redistribute (1831.68814s) stopped
T12 << 1462325599.58141708 van der Waals (17027.05118s) stopped
T12 << 1462325600.05246091 XC 3D grid (17629.14123s) stopped
T12 >> 1462325600.05251598 Poisson (3695.32086s) started
T12 << 1462325605.86810493 Poisson (3701.13645s) stopped
T12 >> 1462325605.86821890 Hartree integrate/restrict (231.38413s) started
T12 << 1462325605.91828394 Hartree integrate/restrict (231.43420s) stopped
T12 >> 1462325605.91837502 Hartree integrate/restrict (231.43426s) started
T12 << 1462325606.22993803 Hartree integrate/restrict (231.74582s) stopped
T12 >> 1462325606.23002911 Atomic (1487.68656s) started
T12 >> 1462325606.23175907 XC Correction (0.02063s) started
T12 << 1462325606.23177409 XC Correction (0.02064s) stopped
T12 << 1462325608.64581490 Atomic (1490.10234s) stopped
T12 >> 1462325608.64598799 Communicate (7679.84367s) started
T12 << 1462325626.62303901 Communicate (7697.82072s) stopped
T12 << 1462325626.62307811 Hamiltonian (30766.85723s) stopped
T12 >> 1462325626.62310505 LCAO eigensolver (43440.89816s) started
T12 >> 1462325626.62311697 Potential matrix (649.45384s) started
T12 << 1462325627.59367299 Potential matrix (650.42439s) stopped
T12 >> 1462325627.59374595 DistributedAtomicCorrection (271.46247s) started
T12 << 1462325628.04277492 DistributedAtomicCorrection (271.91150s) stopped
T12 >> 1462325628.04282594 Distribute overlap matrix (5000.84466s) started
T12 >> 1462325628.04286194 blocked summation (2791.11605s) started
T12 << 1462325632.63824391 blocked summation (2795.71143s) stopped
T12 >> 1462325632.64716792 Scalapack redistribute (2203.16963s) started
T12 << 1462325636.13009191 Scalapack redistribute (2206.65256s) stopped
T12 << 1462325636.13016510 Distribute overlap matrix (5008.93200s) stopped
T12 >> 1462325636.13478994 Blacs Orbital Layouts (36333.99112s) started
T12 >> 1462325636.14344501 General diagonalize (36187.91979s) started
T12 << 1462325692.50246406 General diagonalize (36244.27881s) stopped
T12 >> 1462325692.50250912 Redistribute coefs (5.52050s) started
T12 << 1462325692.50969100 Redistribute coefs (5.52769s) stopped
T12 >> 1462325692.50976610 Send coefs to domains (134.43550s) started
T12 << 1462325692.77532411 Send coefs to domains (134.70106s) stopped
T12 << 1462325692.77572489 Blacs Orbital Layouts (36390.63206s) stopped
T12 >> 1462325692.77575302 Calculate projections (1181.85977s) started
T12 << 1462325694.54387093 Calculate projections (1183.62789s) stopped
T12 << 1462325694.54405689 LCAO eigensolver (43508.81912s) stopped
T12 >> 1462325697.64695406 Density (10252.93325s) started
T12 >> 1462325697.64696789 Pseudo density (7912.15704s) started
T12 >> 1462325697.64999104 Calculate density matrix (7430.28233s) started
T12 << 1462325709.45185304 Calculate density matrix (7442.08419s) stopped
T12 >> 1462325709.45190096 Construct density (469.30807s) started
T12 << 1462325710.22535300 Construct density (470.08152s) stopped
T12 >> 1462325710.24165297 Symmetrize density (0.05307s) started
T12 << 1462325710.24171805 Symmetrize density (0.05314s) stopped
T12 << 1462325710.24416304 Pseudo density (7924.75424s) stopped
T12 >> 1462325710.24422002 Atomic density matrices (2065.65179s) started
T12 << 1462325713.70532799 Atomic density matrices (2069.11290s) stopped
T12 >> 1462325713.70536208 Multipole moments (7.56345s) started
T12 << 1462325713.72101212 Multipole moments (7.57910s) stopped
T12 >> 1462325713.72104192 Normalize (4.22300s) started
T12 << 1462325713.72779489 Normalize (4.22975s) stopped
T12 >> 1462325713.72783804 Mix (263.28879s) started
T12 << 1462325714.18988490 Mix (263.75084s) stopped
T12 << 1462325714.18995190 Density (10269.47624s) stopped
T12 >> 1462325714.18998098 Hamiltonian (30766.85724s) started
T12 >> 1462325714.18999600 vbar (16.66499s) started
T12 << 1462325714.21597695 vbar (16.69097s) stopped
T12 >> 1462325714.21612000 XC 3D grid (17629.14128s) started
T12 >> 1462325714.69391990 van der Waals (17027.05121s) started
T12 >> 1462325714.80824089 semilocal (3597.15550s) started
T12 << 1462325720.54196405 semilocal (3602.88922s) stopped
T12 >> 1462325720.62255001 redistribute (1831.68820s) started
T12 << 1462325721.68375397 redistribute (1832.74941s) stopped
T12 >> 1462325721.68381095 libvdwxc nonlocal (11479.44140s) started
T12 << 1462325740.54364991 libvdwxc nonlocal (11498.30124s) stopped
T12 >> 1462325740.54370308 redistribute (1832.74944s) started
T12 << 1462325742.22749996 redistribute (1834.43323s) stopped
T12 << 1462325742.22844195 van der Waals (17054.58573s) stopped
T12 << 1462325742.69342089 XC 3D grid (17657.61858s) stopped
T12 >> 1462325742.69346309 Poisson (3701.13654s) started
T12 << 1462325748.55902195 Poisson (3707.00210s) stopped
T12 >> 1462325748.55908704 Hartree integrate/restrict (231.74587s) started
T12 << 1462325748.61489701 Hartree integrate/restrict (231.80168s) stopped
T12 >> 1462325748.61495709 Hartree integrate/restrict (231.80172s) started
T12 << 1462325748.92939806 Hartree integrate/restrict (232.11616s) stopped
T12 >> 1462325748.92946911 Atomic (1490.10237s) started
T12 >> 1462325748.93129206 XC Correction (0.02065s) started
T12 << 1462325748.93130898 XC Correction (0.02067s) stopped
T12 << 1462325751.35057211 Atomic (1492.52347s) stopped
T12 >> 1462325751.35074210 Communicate (7697.82075s) started
T12 << 1462325768.63847208 Communicate (7715.10848s) stopped
T12 << 1462325768.63851094 Hamiltonian (30821.30577s) stopped
T12 >> 1462325768.63853693 LCAO eigensolver (43508.81913s) started
T12 >> 1462325768.63855004 Potential matrix (650.42444s) started
T12 << 1462325769.62027502 Potential matrix (651.40616s) stopped
T12 >> 1462325769.62035990 DistributedAtomicCorrection (271.91154s) started
T12 << 1462325770.06776309 DistributedAtomicCorrection (272.35894s) stopped
T12 >> 1462325770.06783009 Distribute overlap matrix (5008.93201s) started
T12 >> 1462325770.06785297 blocked summation (2795.71146s) started
T12 << 1462325774.68924093 blocked summation (2800.33285s) stopped
T12 >> 1462325774.69880891 Scalapack redistribute (2206.65261s) started
T12 << 1462325778.09521794 Scalapack redistribute (2210.04902s) stopped
T12 << 1462325778.09532809 Distribute overlap matrix (5016.95951s) stopped
T12 >> 1462325778.09987712 Blacs Orbital Layouts (36390.63208s) started
T12 >> 1462325778.10902095 General diagonalize (36244.27884s) started
T12 << 1462325831.26962090 General diagonalize (36297.43944s) stopped
T12 >> 1462325831.26966691 Redistribute coefs (5.52775s) started
T12 << 1462325831.27685905 Redistribute coefs (5.53494s) stopped
T12 >> 1462325831.27693605 Send coefs to domains (134.70109s) started
T12 << 1462325831.37910199 Send coefs to domains (134.80326s) stopped
T12 << 1462325831.37963796 Blacs Orbital Layouts (36443.91184s) stopped
T12 >> 1462325831.37967205 Calculate projections (1183.62794s) started
T12 << 1462325833.14835596 Calculate projections (1185.39663s) stopped
T12 << 1462325833.14868808 LCAO eigensolver (43573.32928s) stopped
T12 >> 1462325836.20966196 Density (10269.47626s) started
T12 >> 1462325836.20967889 Pseudo density (7924.75428s) started
T12 >> 1462325836.21252894 Calculate density matrix (7442.08422s) started
T12 << 1462325848.16498899 Calculate density matrix (7454.03668s) stopped
T12 >> 1462325848.16503692 Construct density (470.08157s) started
T12 << 1462325848.93924904 Construct density (470.85578s) stopped
T12 >> 1462325848.95539594 Symmetrize density (0.05315s) started
T12 << 1462325848.95545912 Symmetrize density (0.05322s) stopped
T12 << 1462325848.95789504 Pseudo density (7937.50250s) stopped
T12 >> 1462325848.95795012 Atomic density matrices (2069.11292s) started
T12 << 1462325852.43829489 Atomic density matrices (2072.59326s) stopped
T12 >> 1462325852.43832994 Multipole moments (7.57912s) started
T12 << 1462325852.45405698 Multipole moments (7.59484s) stopped
T12 >> 1462325852.45408702 Normalize (4.22978s) started
T12 << 1462325852.46060300 Normalize (4.23630s) stopped
T12 >> 1462325852.46064091 Mix (263.75090s) started
T12 << 1462325852.88514590 Mix (264.17541s) stopped
T12 << 1462325852.88519502 Density (10286.15179s) stopped
T12 >> 1462325852.88521910 Hamiltonian (30821.30578s) started
T12 >> 1462325852.88523293 vbar (16.69105s) started
T12 << 1462325852.91374707 vbar (16.71956s) stopped
T12 >> 1462325852.91390610 XC 3D grid (17657.61861s) started
T12 >> 1462325853.38689089 van der Waals (17054.58576s) started
T12 >> 1462325853.50659490 semilocal (3602.88936s) started
T12 << 1462325859.37410688 semilocal (3608.75688s) stopped
T12 >> 1462325859.44666195 redistribute (1834.43329s) started
T12 << 1462325860.38883805 redistribute (1835.37547s) stopped
T12 >> 1462325860.38888001 libvdwxc nonlocal (11498.30128s) started
T12 << 1462325879.22966695 libvdwxc nonlocal (11517.14207s) stopped
T12 >> 1462325879.22973609 redistribute (1835.37550s) started
T12 << 1462325880.96587706 redistribute (1837.11164s) stopped
T12 << 1462325880.96679902 van der Waals (17082.16567s) stopped
T12 << 1462325881.43312597 XC 3D grid (17686.13783s) stopped
T12 >> 1462325881.43319297 Poisson (3707.00215s) started
T12 << 1462325887.42245698 Poisson (3712.99141s) stopped
T12 >> 1462325887.42250800 Hartree integrate/restrict (232.11619s) started
T12 << 1462325887.48462296 Hartree integrate/restrict (232.17830s) stopped
T12 >> 1462325887.48467112 Hartree integrate/restrict (232.17833s) started
T12 << 1462325887.84745407 Hartree integrate/restrict (232.54111s) stopped
T12 >> 1462325887.84755802 Atomic (1492.52349s) started
T12 >> 1462325887.84935904 XC Correction (0.02068s) started
T12 << 1462325887.84937406 XC Correction (0.02069s) stopped
T12 << 1462325890.27835798 Atomic (1494.95429s) stopped
T12 >> 1462325890.27852511 Communicate (7715.10851s) started
T12 << 1462325907.60109711 Communicate (7732.43108s) stopped
T12 << 1462325907.60113406 Hamiltonian (30876.02170s) stopped
T12 >> 1462325907.60116005 LCAO eigensolver (43573.32930s) started
T12 >> 1462325907.60117292 Potential matrix (651.40621s) started
T12 << 1462325908.57618999 Potential matrix (652.38123s) stopped
T12 >> 1462325908.57626104 DistributedAtomicCorrection (272.35899s) started
T12 << 1462325909.01912403 DistributedAtomicCorrection (272.80185s) stopped
T12 >> 1462325909.01918602 Distribute overlap matrix (5016.95952s) started
T12 >> 1462325909.01920795 blocked summation (2800.33288s) started
T12 << 1462325913.59378099 blocked summation (2804.90745s) stopped
T12 >> 1462325913.60317802 Scalapack redistribute (2210.04908s) started
T12 << 1462325917.09043193 Scalapack redistribute (2213.53634s) stopped
T12 << 1462325917.09049797 Distribute overlap matrix (5025.03083s) stopped
T12 >> 1462325917.09490490 Blacs Orbital Layouts (36443.91186s) started
T12 >> 1462325917.10395288 General diagonalize (36297.43948s) started
T12 << 1462325974.10027695 General diagonalize (36354.43581s) stopped
T12 >> 1462325974.10032392 Redistribute coefs (5.53500s) started
T12 << 1462325974.10763693 Redistribute coefs (5.54231s) stopped
T12 >> 1462325974.10772610 Send coefs to domains (134.80329s) started
T12 << 1462325974.33832598 Send coefs to domains (135.03389s) stopped
T12 << 1462325974.33873510 Blacs Orbital Layouts (36501.15569s) stopped
T12 >> 1462325974.33876300 Calculate projections (1185.39668s) started
T12 << 1462325976.11312294 Calculate projections (1187.17104s) stopped
T12 << 1462325976.11345410 LCAO eigensolver (43641.84160s) stopped
T12 >> 1462325979.17664194 Density (10286.15180s) started
T12 >> 1462325979.17665911 Pseudo density (7937.50254s) started
T12 >> 1462325979.17985010 Calculate density matrix (7454.03671s) started
T12 << 1462325992.20885491 Calculate density matrix (7467.06572s) stopped
T12 >> 1462325992.20890403 Construct density (470.85583s) started
T12 << 1462325992.98121500 Construct density (471.62815s) stopped
T12 >> 1462325992.99734712 Symmetrize density (0.05324s) started
T12 << 1462325992.99740911 Symmetrize density (0.05330s) stopped
T12 << 1462325992.99984002 Pseudo density (7951.32573s) stopped
T12 >> 1462325992.99989605 Atomic density matrices (2072.59329s) started
T12 << 1462325996.49665809 Atomic density matrices (2076.09005s) stopped
T12 >> 1462325996.49669194 Multipole moments (7.59486s) started
T12 << 1462325996.51159501 Multipole moments (7.60976s) stopped
T12 >> 1462325996.51162505 Normalize (4.23632s) started
T12 << 1462325996.51943493 Normalize (4.24413s) stopped
T12 >> 1462325996.51947689 Mix (264.17545s) started
T12 << 1462325997.00184703 Mix (264.65782s) stopped
T12 << 1462325997.00191212 Density (10303.97707s) stopped
T12 >> 1462325997.00194192 Hamiltonian (30876.02171s) started
T12 >> 1462325997.00195789 vbar (16.71966s) started
T12 << 1462325997.02241492 vbar (16.74012s) stopped
T12 >> 1462325997.02250290 XC 3D grid (17686.13789s) started
T12 >> 1462325997.54583192 van der Waals (17082.16569s) started
T12 >> 1462325997.65794206 semilocal (3608.75693s) started
T12 << 1462326003.45730495 semilocal (3614.55630s) stopped
T12 >> 1462326003.52600908 redistribute (1837.11170s) started
T12 << 1462326004.51670408 redistribute (1838.10239s) stopped
T12 >> 1462326004.51674509 libvdwxc nonlocal (11517.14212s) started
T12 << 1462326024.00075197 libvdwxc nonlocal (11536.62613s) stopped
T12 >> 1462326024.00082707 redistribute (1838.10243s) started
T12 << 1462326025.69139194 redistribute (1839.79299s) stopped
T12 << 1462326025.69235396 van der Waals (17110.31221s) stopped
T12 << 1462326026.16146207 XC 3D grid (17715.27685s) stopped
T12 >> 1462326026.16150093 Poisson (3712.99145s) started
T12 << 1462326030.64614797 Poisson (3717.47610s) stopped
T12 >> 1462326030.64620900 Hartree integrate/restrict (232.54117s) started
T12 << 1462326030.70242000 Hartree integrate/restrict (232.59738s) stopped
T12 >> 1462326030.70246100 Hartree integrate/restrict (232.59740s) started
T12 << 1462326031.03487206 Hartree integrate/restrict (232.92981s) stopped
T12 >> 1462326031.03496599 Atomic (1494.95432s) started
T12 >> 1462326031.03674197 XC Correction (0.02070s) started
T12 << 1462326031.03676200 XC Correction (0.02072s) stopped
T12 << 1462326033.46093297 Atomic (1497.38028s) stopped
T12 >> 1462326033.46109200 Communicate (7732.43110s) started
T12 << 1462326050.76158500 Communicate (7749.73160s) stopped
T12 << 1462326050.76162410 Hamiltonian (30929.78139s) stopped
T12 >> 1462326050.76164889 LCAO eigensolver (43641.84161s) started
T12 >> 1462326050.76166201 Potential matrix (652.38127s) started
T12 << 1462326051.72873306 Potential matrix (653.34834s) stopped
T12 >> 1462326051.72880793 DistributedAtomicCorrection (272.80189s) started
T12 << 1462326052.17148900 DistributedAtomicCorrection (273.24457s) stopped
T12 >> 1462326052.17154908 Distribute overlap matrix (5025.03085s) started
T12 >> 1462326052.17157102 blocked summation (2804.90748s) started
T12 << 1462326056.76727009 blocked summation (2809.50318s) stopped
T12 >> 1462326056.77667809 Scalapack redistribute (2213.53639s) started
T12 << 1462326060.30502295 Scalapack redistribute (2217.06473s) stopped
T12 << 1462326060.30509591 Distribute overlap matrix (5033.16439s) stopped
T12 >> 1462326060.30980492 Blacs Orbital Layouts (36501.15571s) started
T12 >> 1462326060.31892300 General diagonalize (36354.43585s) started
T12 << 1462326115.34283304 General diagonalize (36409.45976s) stopped
T12 >> 1462326115.34287906 Redistribute coefs (5.54238s) started
T12 << 1462326115.34990907 Redistribute coefs (5.54941s) stopped
T12 >> 1462326115.34998989 Send coefs to domains (135.03392s) started
T12 << 1462326115.46346998 Send coefs to domains (135.14740s) stopped
T12 << 1462326115.46404910 Blacs Orbital Layouts (36556.30995s) stopped
T12 >> 1462326115.46407700 Calculate projections (1187.17109s) started
T12 << 1462326117.23681593 Calculate projections (1188.94383s) stopped
T12 << 1462326117.23716593 LCAO eigensolver (43708.31713s) stopped
T12 >> 1462326120.30433393 Density (10303.97709s) started
T12 >> 1462326120.30434990 Pseudo density (7951.32577s) started
T12 >> 1462326120.30733609 Calculate density matrix (7467.06575s) started
T12 << 1462326132.68107891 Calculate density matrix (7479.43950s) stopped
T12 >> 1462326132.68112803 Construct density (471.62820s) started
T12 << 1462326133.45457602 Construct density (472.40164s) stopped
T12 >> 1462326133.47090411 Symmetrize density (0.05332s) started
T12 << 1462326133.47096801 Symmetrize density (0.05338s) stopped
T12 << 1462326133.47339106 Pseudo density (7964.49481s) stopped
T12 >> 1462326133.47344995 Atomic density matrices (2076.09008s) started
T12 << 1462326136.98497009 Atomic density matrices (2079.60160s) stopped
T12 >> 1462326136.98500395 Multipole moments (7.60978s) started
T12 << 1462326137.00066304 Multipole moments (7.62544s) stopped
T12 >> 1462326137.00069189 Normalize (4.24416s) started
T12 << 1462326137.00787711 Normalize (4.25135s) stopped
T12 >> 1462326137.00791907 Mix (264.65789s) started
T12 << 1462326137.43684196 Mix (265.08681s) stopped
T12 << 1462326137.43689299 Density (10321.10965s) stopped
T12 >> 1462326137.43691802 Hamiltonian (30929.78140s) started
T12 >> 1462326137.43693304 vbar (16.74017s) started
T12 << 1462326137.46231794 vbar (16.76555s) stopped
T12 >> 1462326137.46242309 XC 3D grid (17715.27688s) started
T12 >> 1462326137.94131708 van der Waals (17110.31224s) started
T12 >> 1462326138.05564690 semilocal (3614.55636s) started
T12 << 1462326143.82065201 semilocal (3620.32136s) stopped
T12 >> 1462326143.89136600 redistribute (1839.79305s) started
T12 << 1462326144.92093611 redistribute (1840.82262s) stopped
T12 >> 1462326144.92097998 libvdwxc nonlocal (11536.62619s) started
T12 << 1462326163.53188610 libvdwxc nonlocal (11555.23710s) stopped
T12 >> 1462326163.53195000 redistribute (1840.82265s) started
T12 << 1462326165.19692612 redistribute (1842.48763s) stopped
T12 << 1462326165.19785595 van der Waals (17137.56878s) stopped
T12 << 1462326165.65682411 XC 3D grid (17743.47128s) stopped
T12 >> 1462326165.65686202 Poisson (3717.47614s) started
T12 << 1462326170.13003111 Poisson (3721.94931s) stopped
T12 >> 1462326170.13011193 Hartree integrate/restrict (232.92986s) started
T12 << 1462326170.17988706 Hartree integrate/restrict (232.97964s) stopped
T12 >> 1462326170.17993593 Hartree integrate/restrict (232.97967s) started
T12 << 1462326170.57914090 Hartree integrate/restrict (233.37887s) stopped
T12 >> 1462326170.57925010 Atomic (1497.38031s) started
T12 >> 1462326170.58156490 XC Correction (0.02074s) started
T12 << 1462326170.58160710 XC Correction (0.02079s) stopped
T12 << 1462326172.99786997 Atomic (1499.79893s) stopped
T12 >> 1462326172.99802709 Communicate (7749.73162s) started
T12 << 1462326190.33105898 Communicate (7767.06466s) stopped
T12 << 1462326190.33109903 Hamiltonian (30982.67558s) stopped
T12 >> 1462326190.33112502 LCAO eigensolver (43708.31715s) started
T12 >> 1462326190.33113790 Potential matrix (653.34839s) started
T12 << 1462326191.30486107 Potential matrix (654.32211s) stopped
T12 >> 1462326191.30493402 DistributedAtomicCorrection (273.24461s) started
T12 << 1462326191.75225997 DistributedAtomicCorrection (273.69193s) stopped
T12 >> 1462326191.75232506 Distribute overlap matrix (5033.16440s) started
T12 >> 1462326191.75234699 blocked summation (2809.50324s) started
T12 << 1462326196.41245389 blocked summation (2814.16334s) stopped
T12 >> 1462326196.42215705 Scalapack redistribute (2217.06479s) started
T12 << 1462326199.88930011 Scalapack redistribute (2220.53193s) stopped
T12 << 1462326199.88938594 Distribute overlap matrix (5041.30147s) stopped
T12 >> 1462326199.89402390 Blacs Orbital Layouts (36556.30997s) started
T12 >> 1462326199.90251303 General diagonalize (36409.45979s) started
T12 << 1462326255.53399110 General diagonalize (36465.09127s) stopped
T12 >> 1462326255.53403592 Redistribute coefs (5.54948s) started
T12 << 1462326255.54118204 Redistribute coefs (5.55663s) stopped
T12 >> 1462326255.54126096 Send coefs to domains (135.14744s) started
T12 << 1462326255.66900396 Send coefs to domains (135.27518s) stopped
T12 << 1462326255.66937709 Blacs Orbital Layouts (36612.08532s) stopped
T12 >> 1462326255.66940403 Calculate projections (1188.94388s) started
T12 << 1462326257.43685699 Calculate projections (1190.71134s) stopped
T12 << 1462326257.43718100 LCAO eigensolver (43775.42321s) stopped
T12 >> 1462326260.50712895 Density (10321.10966s) started
T12 >> 1462326260.50714707 Pseudo density (7964.49486s) started
T12 >> 1462326260.51013589 Calculate density matrix (7479.43953s) started
T12 << 1462326272.42675900 Calculate density matrix (7491.35615s) stopped
T12 >> 1462326272.42680907 Construct density (472.40169s) started
T12 << 1462326273.19882393 Construct density (473.17371s) stopped
T12 >> 1462326273.21495199 Symmetrize density (0.05340s) started
T12 << 1462326273.21501589 Symmetrize density (0.05346s) stopped
T12 << 1462326273.21744108 Pseudo density (7977.20515s) stopped
T12 >> 1462326273.21749711 Atomic density matrices (2079.60162s) started
T12 << 1462326276.68501401 Atomic density matrices (2083.06914s) stopped
T12 >> 1462326276.68504691 Multipole moments (7.62545s) started
T12 << 1462326276.70067096 Multipole moments (7.64108s) stopped
T12 >> 1462326276.70070100 Normalize (4.25138s) started
T12 << 1462326276.70752811 Normalize (4.25820s) stopped
T12 >> 1462326276.70757008 Mix (265.08686s) started
T12 << 1462326277.13454199 Mix (265.51383s) stopped
T12 << 1462326277.13460302 Density (10337.73713s) stopped
T12 >> 1462326277.13462996 Hamiltonian (30982.67560s) started
T12 >> 1462326277.13467407 vbar (16.76562s) started
T12 << 1462326277.15629697 vbar (16.78725s) stopped
T12 >> 1462326277.15640998 XC 3D grid (17743.47131s) started
T12 >> 1462326277.65898490 van der Waals (17137.56880s) started
T12 >> 1462326277.77523804 semilocal (3620.32145s) started
T12 << 1462326283.47566009 semilocal (3626.02187s) stopped
T12 >> 1462326283.55017090 redistribute (1842.48768s) started
T12 << 1462326284.60562992 redistribute (1843.54314s) stopped
T12 >> 1462326284.60567188 libvdwxc nonlocal (11555.23715s) started
T12 << 1462326302.80487609 libvdwxc nonlocal (11573.43635s) stopped
T12 >> 1462326302.80493999 redistribute (1843.54318s) started
T12 << 1462326304.48656392 redistribute (1845.22480s) stopped
T12 << 1462326304.48751497 van der Waals (17164.39733s) stopped
T12 << 1462326304.95036793 XC 3D grid (17771.26527s) stopped
T12 >> 1462326304.95043707 Poisson (3721.94937s) started
T12 << 1462326309.31897807 Poisson (3726.31791s) stopped
T12 >> 1462326309.31907511 Hartree integrate/restrict (233.37893s) started
T12 << 1462326309.36854506 Hartree integrate/restrict (233.42840s) stopped
T12 >> 1462326309.36865807 Hartree integrate/restrict (233.42847s) started
T12 << 1462326309.68489003 Hartree integrate/restrict (233.74471s) stopped
T12 >> 1462326309.68499494 Atomic (1499.79895s) started
T12 >> 1462326309.68688393 XC Correction (0.02080s) started
T12 << 1462326309.68691301 XC Correction (0.02083s) stopped
T12 << 1462326312.12033892 Atomic (1502.23430s) stopped
T12 >> 1462326312.12049103 Communicate (7767.06468s) started
T12 << 1462326329.51916003 Communicate (7784.46335s) stopped
T12 << 1462326329.51919889 Hamiltonian (31035.06017s) stopped
T12 >> 1462326329.51922393 LCAO eigensolver (43775.42322s) started
T12 >> 1462326329.51923704 Potential matrix (654.32216s) started
T12 << 1462326330.48741007 Potential matrix (655.29033s) stopped
T12 >> 1462326330.48748493 DistributedAtomicCorrection (273.69197s) started
T12 << 1462326330.93538499 DistributedAtomicCorrection (274.13987s) stopped
T12 >> 1462326330.93544888 Distribute overlap matrix (5041.30148s) started
T12 >> 1462326330.93547010 blocked summation (2814.16339s) started
T12 << 1462326335.57908797 blocked summation (2818.80701s) stopped
T12 >> 1462326335.58921504 Scalapack redistribute (2220.53199s) started
T12 << 1462326339.05829406 Scalapack redistribute (2224.00107s) stopped
T12 << 1462326339.05840993 Distribute overlap matrix (5049.42444s) stopped
T12 >> 1462326339.06338692 Blacs Orbital Layouts (36612.08534s) started
T12 >> 1462326339.07197404 General diagonalize (36465.09131s) started
T12 << 1462326392.37140703 General diagonalize (36518.39074s) stopped
T12 >> 1462326392.37147403 Redistribute coefs (5.55669s) started
T12 << 1462326392.37835407 Redistribute coefs (5.56357s) stopped
T12 >> 1462326392.37843990 Send coefs to domains (135.27521s) started
T12 << 1462326392.60679603 Send coefs to domains (135.50357s) stopped
T12 << 1462326392.60717106 Blacs Orbital Layouts (36665.62913s) stopped
T12 >> 1462326392.60719895 Calculate projections (1190.71139s) started
T12 << 1462326394.37584400 Calculate projections (1192.48004s) stopped
T12 << 1462326394.37619805 LCAO eigensolver (43840.28020s) stopped
T12 >> 1462326397.44317889 Density (10337.73715s) started
T12 >> 1462326397.44319606 Pseudo density (7977.20520s) started
T12 >> 1462326397.44658494 Calculate density matrix (7491.35618s) started
T12 << 1462326409.54696298 Calculate density matrix (7503.45656s) stopped
T12 >> 1462326409.54701209 Construct density (473.17376s) started
T12 << 1462326410.31895304 Construct density (473.94570s) stopped
T12 >> 1462326410.33527303 Symmetrize density (0.05348s) started
T12 << 1462326410.33533502 Symmetrize density (0.05354s) stopped
T12 << 1462326410.33775401 Pseudo density (7990.09976s) stopped
T12 >> 1462326410.33781409 Atomic density matrices (2083.06917s) started
T12 << 1462326413.83016396 Atomic density matrices (2086.56152s) stopped
T12 >> 1462326413.83019805 Multipole moments (7.64109s) started
T12 << 1462326413.84507489 Multipole moments (7.65597s) stopped
T12 >> 1462326413.84510493 Normalize (4.25823s) started
T12 << 1462326413.85284996 Normalize (4.26598s) stopped
T12 >> 1462326413.85290194 Mix (265.51389s) started
T12 << 1462326414.30463505 Mix (265.96563s) stopped
T12 << 1462326414.30469894 Density (10354.59867s) stopped
T12 >> 1462326414.30472493 Hamiltonian (31035.06018s) started
T12 >> 1462326414.30473900 vbar (16.78731s) started
T12 << 1462326414.33552003 vbar (16.81809s) stopped
T12 >> 1462326414.33565807 XC 3D grid (17771.26533s) started
T12 >> 1462326414.81601810 van der Waals (17164.39736s) started
T12 >> 1462326414.93085408 semilocal (3626.02199s) started
T12 << 1462326420.73094392 semilocal (3631.82208s) stopped
T12 >> 1462326420.80916095 redistribute (1845.22485s) started
T12 << 1462326421.79530096 redistribute (1846.21099s) stopped
T12 >> 1462326421.79534292 libvdwxc nonlocal (11573.43640s) started
T12 << 1462326440.26247597 libvdwxc nonlocal (11591.90353s) stopped
T12 >> 1462326440.26251698 redistribute (1846.21103s) started
T12 << 1462326441.95462298 redistribute (1847.90313s) stopped
T12 << 1462326441.95573211 van der Waals (17191.53707s) stopped
T12 << 1462326442.41487408 XC 3D grid (17799.34454s) stopped
T12 >> 1462326442.41491699 Poisson (3726.31799s) started
T12 << 1462326446.80252790 Poisson (3730.70560s) stopped
T12 >> 1462326446.80259490 Hartree integrate/restrict (233.74476s) started
T12 << 1462326446.85129690 Hartree integrate/restrict (233.79346s) stopped
T12 >> 1462326446.85140204 Hartree integrate/restrict (233.79353s) started
T12 << 1462326447.16264296 Hartree integrate/restrict (234.10477s) stopped
T12 >> 1462326447.16271806 Atomic (1502.23432s) started
T12 >> 1462326447.16445589 XC Correction (0.02084s) started
T12 << 1462326447.16447401 XC Correction (0.02086s) stopped
T12 << 1462326449.58909893 Atomic (1504.66070s) stopped
T12 >> 1462326449.58924603 Communicate (7784.46338s) started
T12 << 1462326467.22570801 Communicate (7802.09984s) stopped
T12 << 1462326467.22574592 Hamiltonian (31087.98120s) stopped
T12 >> 1462326467.22577190 LCAO eigensolver (43840.28021s) started
T12 >> 1462326467.22578502 Potential matrix (655.29037s) started
T12 << 1462326468.20212603 Potential matrix (656.26672s) stopped
T12 >> 1462326468.20219898 DistributedAtomicCorrection (274.13991s) started
T12 << 1462326468.64683008 DistributedAtomicCorrection (274.58454s) stopped
T12 >> 1462326468.64689207 Distribute overlap matrix (5049.42445s) started
T12 >> 1462326468.64691305 blocked summation (2818.80706s) started
T12 << 1462326473.25484800 blocked summation (2823.41500s) stopped
T12 >> 1462326473.26525903 Scalapack redistribute (2224.00114s) started
T12 << 1462326476.74831295 Scalapack redistribute (2227.48419s) stopped
T12 << 1462326476.74839091 Distribute overlap matrix (5057.52595s) stopped
T12 >> 1462326476.75348306 Blacs Orbital Layouts (36665.62915s) started
T12 >> 1462326476.76234388 General diagonalize (36518.39079s) started
T12 << 1462326532.51784205 General diagonalize (36574.14629s) stopped
T12 >> 1462326532.51788807 Redistribute coefs (5.56364s) started
T12 << 1462326532.52489901 Redistribute coefs (5.57065s) stopped
T12 >> 1462326532.52498794 Send coefs to domains (135.50361s) started
T12 << 1462326532.68398309 Send coefs to domains (135.66260s) stopped
T12 << 1462326532.68453908 Blacs Orbital Layouts (36721.56020s) stopped
T12 >> 1462326532.68456793 Calculate projections (1192.48009s) started
T12 << 1462326534.45235491 Calculate projections (1194.24788s) stopped
T12 << 1462326534.45253396 LCAO eigensolver (43907.50698s) stopped
T12 >> 1462326537.52003193 Density (10354.59868s) started
T12 >> 1462326537.52004695 Pseudo density (7990.09980s) started
T12 >> 1462326537.52373600 Calculate density matrix (7503.45660s) started
T12 << 1462326549.33774209 Calculate density matrix (7515.27060s) stopped
T12 >> 1462326549.33779097 Construct density (473.94575s) started
T12 << 1462326550.11404395 Construct density (474.72201s) stopped
T12 >> 1462326550.13027406 Symmetrize density (0.05356s) started
T12 << 1462326550.13033891 Symmetrize density (0.05362s) stopped
T12 << 1462326550.13278890 Pseudo density (8002.71255s) stopped
T12 >> 1462326550.13284898 Atomic density matrices (2086.56154s) started
T12 << 1462326553.63875890 Atomic density matrices (2090.06745s) stopped
T12 >> 1462326553.63879299 Multipole moments (7.65599s) started
T12 << 1462326553.65450406 Multipole moments (7.67170s) stopped
T12 >> 1462326553.65453291 Normalize (4.26602s) started
T12 << 1462326553.66131401 Normalize (4.27280s) stopped
T12 >> 1462326553.66135907 Mix (265.96569s) started
T12 << 1462326554.09211802 Mix (266.39645s) stopped
T12 << 1462326554.09216094 Density (10371.17081s) stopped
T12 >> 1462326554.09218597 Hamiltonian (31087.98121s) started
T12 >> 1462326554.09220004 vbar (16.81817s) started
T12 << 1462326554.12243295 vbar (16.84840s) stopped
T12 >> 1462326554.12262011 XC 3D grid (17799.34458s) started
T12 >> 1462326554.59839201 van der Waals (17191.53710s) started
T12 >> 1462326554.71480489 semilocal (3631.82214s) started
T12 << 1462326560.52822089 semilocal (3637.63556s) stopped
T12 >> 1462326560.60682106 redistribute (1847.90319s) started
T12 << 1462326561.59483004 redistribute (1848.89119s) stopped
T12 >> 1462326561.59488511 libvdwxc nonlocal (11591.90356s) started
T12 << 1462326580.07875299 libvdwxc nonlocal (11610.38743s) stopped
T12 >> 1462326580.07883000 redistribute (1848.89123s) started
T12 << 1462326581.79553699 redistribute (1850.60793s) stopped
T12 << 1462326581.79656100 van der Waals (17218.73527s) stopped
T12 << 1462326582.26625109 XC 3D grid (17827.48821s) stopped
T12 >> 1462326582.26629710 Poisson (3730.70565s) started
T12 << 1462326586.64079189 Poisson (3735.08015s) stopped
T12 >> 1462326586.64090300 Hartree integrate/restrict (234.10481s) started
T12 << 1462326586.68891191 Hartree integrate/restrict (234.15281s) stopped
T12 >> 1462326586.68901396 Hartree integrate/restrict (234.15288s) started
T12 << 1462326587.04177094 Hartree integrate/restrict (234.50564s) stopped
T12 >> 1462326587.04186797 Atomic (1504.66072s) started
T12 >> 1462326587.04365802 XC Correction (0.02087s) started
T12 << 1462326587.04367304 XC Correction (0.02089s) stopped
T12 << 1462326589.47306991 Atomic (1507.09192s) stopped
T12 >> 1462326589.47321296 Communicate (7802.09987s) started
T12 << 1462326607.06457591 Communicate (7819.69123s) stopped
T12 << 1462326607.06461406 Hamiltonian (31140.95364s) stopped
T12 >> 1462326607.06463909 LCAO eigensolver (43907.50700s) started
T12 >> 1462326607.06465197 Potential matrix (656.26676s) started
T12 << 1462326608.04121304 Potential matrix (657.24332s) stopped
T12 >> 1462326608.04128289 DistributedAtomicCorrection (274.58458s) started
T12 << 1462326608.49132800 DistributedAtomicCorrection (275.03463s) stopped
T12 >> 1462326608.49138904 Distribute overlap matrix (5057.52596s) started
T12 >> 1462326608.49141002 blocked summation (2823.41503s) started
T12 << 1462326613.11044407 blocked summation (2828.03406s) stopped
T12 >> 1462326613.11991906 Scalapack redistribute (2227.48423s) started
T12 << 1462326616.65647507 Scalapack redistribute (2231.02079s) stopped
T12 << 1462326616.65656710 Distribute overlap matrix (5065.69114s) stopped
T12 >> 1462326616.66172600 Blacs Orbital Layouts (36721.56022s) started
T12 >> 1462326616.67010689 General diagonalize (36574.14633s) started
T12 << 1462326672.86378407 General diagonalize (36630.34001s) stopped
T12 >> 1462326672.86386800 Redistribute coefs (5.57073s) started
T12 << 1462326672.87104702 Redistribute coefs (5.57790s) stopped
T12 >> 1462326672.87112999 Send coefs to domains (135.66264s) started
T12 << 1462326672.97805905 Send coefs to domains (135.76956s) stopped
T12 << 1462326672.97847009 Blacs Orbital Layouts (36777.87696s) stopped
T12 >> 1462326672.97850394 Calculate projections (1194.24792s) started
T12 << 1462326674.74707603 Calculate projections (1196.01650s) stopped
T12 << 1462326674.74725604 LCAO eigensolver (43975.18961s) stopped
T12 << 1462326677.82415295 SCF-cycle (87644.20322s) stopped
T12 >> 1462326679.98483896 Force calculation (4010.92603s) started
T12 >> 1462326679.98492908 LCAO forces (3967.44494s) started
T12 >> 1462326679.98530412 Initial (0.00115s) started
T12 << 1462326679.98531604 Initial (0.00117s) stopped
T12 >> 1462326679.99182010 Get density matrix (2073.45965s) started
T12 << 1462326689.12003589 Get density matrix (2082.58786s) stopped
T12 >> 1462326689.12007904 Potential (313.20922s) started
T12 << 1462326695.28387094 Potential (319.37302s) stopped
T12 >> 1462326695.28392506 Get density matrix (2082.58790s) started
T12 << 1462326726.65655088 Get density matrix (2113.96052s) stopped
T12 >> 1462326726.65661597 Prepare TCI loop (110.40118s) started
T12 >> 1462326726.65715098 Get neighbors (99.20955s) started
T12 << 1462326728.61083293 Get neighbors (101.16323s) stopped
T12 >> 1462326728.61116099 broadcast dH (11.13171s) started
T12 << 1462326728.88608789 broadcast dH (11.40663s) stopped
T12 << 1462326728.88613009 Prepare TCI loop (112.63069s) stopped
T12 >> 1462326728.88614893 Not so complicated loop (6.07513s) started
T12 << 1462326729.00315809 Not so complicated loop (6.19214s) stopped
T12 >> 1462326729.11822200 Complicated loop (957.21759s) started
T12 << 1462326748.63430810 Complicated loop (976.73368s) stopped
T12 >> 1462326748.63563299 Wait for sum (500.54516s) started
T12 << 1462326759.37847710 Wait for sum (511.28801s) stopped
T12 << 1462326759.37851095 LCAO forces (4046.83852s) stopped
T12 << 1462326760.21562791 Force calculation (4091.15682s) stopped
T12 >> 1462326760.23348689 Initialization (6676.09685s) started
T12 << 1462326760.23366189 Initialization (6676.09703s) stopped
T12 >> 1462326760.23389006 Initialization (6676.09704s) started
T12 << 1462326760.23403001 Initialization (6676.09718s) stopped
T12 >> 1462326760.23417306 Initialization (6676.09720s) started
T12 << 1462326760.23430800 Initialization (6676.09733s) stopped
T12 >> 1462326780.53780603 Initialization (6676.09735s) started
T12 >> 1462326780.64359498 Basic WFS set positions (4.58852s) started
T12 >> 1462326780.64361906 Redistribute (0.01441s) started
T12 << 1462326780.64375210 Redistribute (0.01455s) stopped
T12 << 1462326780.73255897 Basic WFS set positions (4.67749s) stopped
T12 >> 1462326780.73258400 Basis functions set positions (95.94243s) started
T12 << 1462326782.67240405 Basis functions set positions (97.88225s) stopped
T12 >> 1462326782.67292595 TCI: Calculate S, T, P (796.95856s) started
T12 << 1462326798.62206602 TCI: Calculate S, T, P (812.90770s) stopped
T12 >> 1462326798.62211895 blocked summation (1255.33385s) started
T12 << 1462326827.53684998 blocked summation (1284.24858s) stopped
T12 >> 1462326827.54654694 Scalapack redistribute (474.99991s) started
T12 << 1462326836.93693089 Scalapack redistribute (484.39030s) stopped
T12 >> 1462326836.93797898 blocked summation (1284.24862s) started
T12 << 1462326837.92743993 blocked summation (1285.23808s) stopped
T12 >> 1462326837.93663311 Scalapack redistribute (484.39036s) started
T12 << 1462326838.32140493 Scalapack redistribute (484.77513s) stopped
T12 >> 1462326838.32367897 Redistribute (0.11036s) started
T12 << 1462326838.32419896 Redistribute (0.11088s) stopped
T12 >> 1462326840.03771591 Redistribute (0.11090s) started
T12 << 1462326840.03820896 Redistribute (0.11139s) stopped
T12 >> 1462326840.05281496 LCAO WFS Initialize (3945.79881s) started
T12 >> 1462326840.05285811 Density initialize from wavefunctions (745.89383s) started
T12 >> 1462326840.05827808 Calculate density matrix (516.09920s) started
T12 << 1462326849.84732199 Calculate density matrix (525.88824s) stopped
T12 >> 1462326849.84736991 Construct density (39.23585s) started
T12 << 1462326850.62182212 Construct density (40.01030s) stopped
T12 >> 1462326850.63607407 Symmetrize density (0.00429s) started
T12 << 1462326850.63614011 Symmetrize density (0.00435s) stopped
T12 << 1462326854.52894092 Density initialize from wavefunctions (760.36992s) stopped
T12 >> 1462326854.52932906 Hamiltonian (3198.97512s) started
T12 >> 1462326854.52935004 vbar (1.46391s) started
T12 << 1462326854.55474591 vbar (1.48930s) stopped
T12 >> 1462326854.55486107 XC 3D grid (1509.51238s) started
T12 >> 1462326855.09278488 van der Waals (1458.15068s) started
T12 >> 1462326855.20201397 semilocal (306.98448s) started
T12 << 1462326861.00015497 semilocal (312.78262s) stopped
T12 >> 1462326861.07797408 redistribute (167.02263s) started
T12 << 1462326862.10656190 redistribute (168.05122s) stopped
T12 >> 1462326862.10660791 libvdwxc nonlocal (973.98520s) started
T12 << 1462326880.83700991 libvdwxc nonlocal (992.71560s) stopped
T12 >> 1462326880.83707404 redistribute (168.05125s) started
T12 << 1462326882.61899495 redistribute (169.83317s) stopped
T12 << 1462326882.62082601 van der Waals (1485.67873s) stopped
T12 << 1462326883.06205893 XC 3D grid (1538.01958s) stopped
T12 >> 1462326883.06211495 Poisson (765.82482s) started
T12 << 1462326898.95260906 Poisson (781.71531s) stopped
T12 >> 1462326898.95276093 Hartree integrate/restrict (19.76905s) started
T12 << 1462326899.01412010 Hartree integrate/restrict (19.83041s) stopped
T12 >> 1462326899.01424289 Hartree integrate/restrict (19.83050s) started
T12 << 1462326899.32896900 Hartree integrate/restrict (20.14523s) stopped
T12 >> 1462326899.32907200 Atomic (125.61567s) started
T12 >> 1462326899.33118701 XC Correction (0.00193s) started
T12 << 1462326899.33121705 XC Correction (0.00196s) stopped
T12 << 1462326901.71505404 Atomic (128.00165s) stopped
T12 >> 1462326901.71522307 Communicate (776.74229s) started
T12 << 1462326920.01827407 Communicate (795.04534s) stopped
T12 << 1462326920.01831007 Hamiltonian (3264.46410s) stopped
T12 << 1462326920.01832509 LCAO WFS Initialize (4025.76432s) stopped
T12 << 1462326920.03042412 Initialization (6815.58997s) stopped
T12 >> 1462326920.05640793 SCF-cycle (87644.20324s) started
T12 >> 1462326920.05644488 LCAO eigensolver (43975.18963s) started
T12 >> 1462326920.05645800 Potential matrix (657.24336s) started
T12 << 1462326921.02958608 Potential matrix (658.21649s) stopped
T12 >> 1462326921.02965689 DistributedAtomicCorrection (275.03466s) started
T12 << 1462326921.46936798 DistributedAtomicCorrection (275.47438s) stopped
T12 >> 1462326921.46941400 Distribute overlap matrix (5065.69115s) started
T12 >> 1462326921.46944189 blocked summation (2828.03411s) started
T12 << 1462326926.02410698 blocked summation (2832.58878s) stopped
T12 >> 1462326926.03392100 Scalapack redistribute (2231.02084s) started
T12 << 1462326929.60431099 Scalapack redistribute (2234.59123s) stopped
T12 << 1462326929.60439396 Distribute overlap matrix (5073.82613s) stopped
T12 >> 1462326929.60855007 Blacs Orbital Layouts (36777.87698s) started
T12 >> 1462326929.61670494 General diagonalize (36630.34008s) started
T12 << 1462326983.85127711 General diagonalize (36684.57465s) stopped
T12 >> 1462326983.85135889 Redistribute coefs (5.57797s) started
T12 << 1462326983.86153793 Redistribute coefs (5.58815s) stopped
T12 >> 1462326983.86157990 Send coefs to domains (135.76960s) started
T12 << 1462326984.07481408 Send coefs to domains (135.98283s) stopped
T12 << 1462326984.07499599 Blacs Orbital Layouts (36832.34343s) stopped
T12 >> 1462326984.07502389 Calculate projections (1196.01655s) started
T12 << 1462326985.83896804 Calculate projections (1197.78049s) stopped
T12 << 1462326985.83916402 LCAO eigensolver (44040.97235s) stopped
T12 >> 1462326988.90555906 Density (10371.17082s) started
T12 >> 1462326988.90559101 Pseudo density (8002.71259s) started
T12 >> 1462326988.90746808 Calculate density matrix (7515.27064s) started
T12 << 1462327000.75225592 Calculate density matrix (7527.11542s) stopped
T12 >> 1462327000.75230408 Construct density (474.72206s) started
T12 << 1462327001.52682900 Construct density (475.49659s) stopped
T12 >> 1462327001.54270411 Symmetrize density (0.05366s) started
T12 << 1462327001.54276800 Symmetrize density (0.05372s) stopped
T12 << 1462327001.54474497 Pseudo density (8015.35175s) stopped
T12 >> 1462327001.54480696 Atomic density matrices (2090.06747s) started
T12 << 1462327005.00579095 Atomic density matrices (2093.52846s) stopped
T12 >> 1462327005.00582600 Multipole moments (7.67172s) started
T12 << 1462327005.02046990 Multipole moments (7.68636s) stopped
T12 >> 1462327005.02049303 Normalize (4.27283s) started
T12 << 1462327005.02670288 Normalize (4.27904s) stopped
T12 >> 1462327005.02675200 Mix (266.39649s) started
T12 << 1462327005.38192606 Mix (266.75166s) stopped
T12 << 1462327005.38199902 Density (10387.64726s) stopped
T12 >> 1462327005.38203096 Hamiltonian (31140.95365s) started
T12 >> 1462327005.38204789 vbar (16.84850s) started
T12 << 1462327005.40994191 vbar (16.87640s) stopped
T12 >> 1462327005.41013908 XC 3D grid (17827.48824s) started
T12 >> 1462327005.92043805 van der Waals (17218.73529s) started
T12 >> 1462327006.02857089 semilocal (3637.63565s) started
T12 << 1462327011.76683497 semilocal (3643.37391s) stopped
T12 >> 1462327011.84469509 redistribute (1850.60799s) started
T12 << 1462327012.90832901 redistribute (1851.67163s) stopped
T12 >> 1462327012.90837193 libvdwxc nonlocal (11610.38749s) started
T12 << 1462327031.63908410 libvdwxc nonlocal (11629.11820s) stopped
T12 >> 1462327031.63914990 redistribute (1851.67166s) started
T12 << 1462327033.37959290 redistribute (1853.41210s) stopped
T12 << 1462327033.38181496 van der Waals (17246.19667s) stopped
T12 << 1462327033.82008004 XC 3D grid (17855.89818s) stopped
T12 >> 1462327033.82012105 Poisson (3735.08023s) started
T12 << 1462327038.18211889 Poisson (3739.44223s) stopped
T12 >> 1462327038.18217897 Hartree integrate/restrict (234.50569s) started
T12 << 1462327038.23100805 Hartree integrate/restrict (234.55452s) stopped
T12 >> 1462327038.23109198 Hartree integrate/restrict (234.55458s) started
T12 << 1462327038.54130006 Hartree integrate/restrict (234.86479s) stopped
T12 >> 1462327038.54139900 Atomic (1507.09195s) started
T12 >> 1462327038.54351401 XC Correction (0.02090s) started
T12 << 1462327038.54354596 XC Correction (0.02093s) stopped
T12 << 1462327040.92540312 Atomic (1509.47595s) stopped
T12 >> 1462327040.92557812 Communicate (7819.69126s) started
T12 << 1462327059.27518201 Communicate (7838.04086s) stopped
T12 << 1462327059.27521396 Hamiltonian (31194.84684s) stopped
T12 >> 1462327059.27523804 LCAO eigensolver (44040.97237s) started
T12 >> 1462327059.27525091 Potential matrix (658.21653s) started
T12 << 1462327060.24517989 Potential matrix (659.18646s) stopped
T12 >> 1462327060.24525404 DistributedAtomicCorrection (275.47441s) started
T12 << 1462327060.68160605 DistributedAtomicCorrection (275.91077s) stopped
T12 >> 1462327060.68165302 Distribute overlap matrix (5073.82615s) started
T12 >> 1462327060.68167996 blocked summation (2832.58881s) started
T12 << 1462327065.19479799 blocked summation (2837.10193s) stopped
T12 >> 1462327065.20479107 Scalapack redistribute (2234.59129s) started
T12 << 1462327068.85114908 Scalapack redistribute (2238.23765s) stopped
T12 << 1462327068.85121703 Distribute overlap matrix (5081.99571s) stopped
T12 >> 1462327068.85509706 Blacs Orbital Layouts (36832.34345s) started
T12 >> 1462327068.86335301 General diagonalize (36684.57472s) started
T12 << 1462327124.61630201 General diagonalize (36740.32767s) stopped
T12 >> 1462327124.61636400 Redistribute coefs (5.58818s) started
T12 << 1462327124.62623405 Redistribute coefs (5.59805s) stopped
T12 >> 1462327124.62627411 Send coefs to domains (135.98286s) started
T12 << 1462327124.95541692 Send coefs to domains (136.31200s) stopped
T12 << 1462327124.95558405 Blacs Orbital Layouts (36888.44394s) stopped
T12 >> 1462327124.95561194 Calculate projections (1197.78054s) started
T12 << 1462327126.71946907 Calculate projections (1199.54439s) stopped
T12 << 1462327126.71986604 LCAO eigensolver (44108.41700s) stopped
T12 >> 1462327129.79104590 Density (10387.64728s) started
T12 >> 1462327129.79106212 Pseudo density (8015.35180s) started
T12 >> 1462327129.79325294 Calculate density matrix (7527.11546s) started
T12 << 1462327141.62464309 Calculate density matrix (7538.94685s) stopped
T12 >> 1462327141.62469411 Construct density (475.49664s) started
T12 << 1462327142.39847112 Construct density (476.27042s) stopped
T12 >> 1462327142.41262889 Symmetrize density (0.05374s) started
T12 << 1462327142.41268992 Symmetrize density (0.05380s) stopped
T12 << 1462327142.41466999 Pseudo density (8027.97540s) stopped
T12 >> 1462327142.41475296 Atomic density matrices (2093.52849s) started
T12 << 1462327145.88986111 Atomic density matrices (2097.00359s) stopped
T12 >> 1462327145.88989401 Multipole moments (7.68637s) started
T12 << 1462327145.90521097 Multipole moments (7.70169s) stopped
T12 >> 1462327145.90523410 Normalize (4.27907s) started
T12 << 1462327145.91143298 Normalize (4.28527s) stopped
T12 >> 1462327145.91148305 Mix (266.75174s) started
T12 << 1462327146.26141906 Mix (267.10167s) stopped
T12 << 1462327146.26150203 Density (10404.11773s) stopped
T12 >> 1462327146.26153803 Hamiltonian (31194.84685s) started
T12 >> 1462327146.26155400 vbar (16.87650s) started
T12 << 1462327146.28544307 vbar (16.90039s) stopped
T12 >> 1462327146.28550005 XC 3D grid (17855.89821s) started
T12 >> 1462327146.81500292 van der Waals (17246.19674s) started
T12 >> 1462327146.92277694 semilocal (3643.37405s) started
T12 << 1462327152.59990597 semilocal (3649.05118s) stopped
T12 >> 1462327152.69254398 redistribute (1853.41224s) started
T12 << 1462327153.78167105 redistribute (1854.50137s) stopped
T12 >> 1462327153.78171396 libvdwxc nonlocal (11629.11825s) started
T12 << 1462327172.35458708 libvdwxc nonlocal (11647.69112s) stopped
T12 >> 1462327172.35465097 redistribute (1854.50140s) started
T12 << 1462327174.12855697 redistribute (1856.27530s) stopped
T12 << 1462327174.13074994 van der Waals (17273.51249s) stopped
T12 << 1462327174.57580709 XC 3D grid (17884.18852s) stopped
T12 >> 1462327174.57587409 Poisson (3739.44228s) started
T12 << 1462327187.44380212 Poisson (3752.31020s) stopped
T12 >> 1462327187.44388795 Hartree integrate/restrict (234.86484s) started
T12 << 1462327187.48669505 Hartree integrate/restrict (234.90765s) stopped
T12 >> 1462327187.48677897 Hartree integrate/restrict (234.90770s) started
T12 << 1462327187.83296299 Hartree integrate/restrict (235.25389s) stopped
T12 >> 1462327187.83304691 Atomic (1509.47598s) started
T12 >> 1462327187.83497500 XC Correction (0.02094s) started
T12 << 1462327187.83499599 XC Correction (0.02097s) stopped
T12 << 1462327190.19917107 Atomic (1511.84210s) stopped
T12 >> 1462327190.19936800 Communicate (7838.04088s) started
T12 << 1462327208.54226398 Communicate (7856.38378s) stopped
T12 << 1462327208.54230809 Hamiltonian (31257.12762s) stopped
T12 >> 1462327208.54233503 LCAO eigensolver (44108.41702s) started
T12 >> 1462327208.54234791 Potential matrix (659.18651s) started
T12 << 1462327209.51423693 Potential matrix (660.15840s) stopped
T12 >> 1462327209.51431894 DistributedAtomicCorrection (275.91080s) started
T12 << 1462327209.97247791 DistributedAtomicCorrection (276.36896s) stopped
T12 >> 1462327209.97252488 Distribute overlap matrix (5081.99572s) started
T12 >> 1462327209.97255993 blocked summation (2837.10196s) started
T12 << 1462327214.55358911 blocked summation (2841.68299s) stopped
T12 >> 1462327214.56321311 Scalapack redistribute (2238.23768s) started
T12 << 1462327218.05693102 Scalapack redistribute (2241.73140s) stopped
T12 << 1462327218.05701399 Distribute overlap matrix (5090.08021s) stopped
T12 >> 1462327218.06161189 Blacs Orbital Layouts (36888.44396s) started
T12 >> 1462327218.06986904 General diagonalize (36740.32772s) started
T12 << 1462327272.70638704 General diagonalize (36794.96424s) stopped
T12 >> 1462327272.70643210 Redistribute coefs (5.59809s) started
T12 << 1462327272.71598196 Redistribute coefs (5.60764s) stopped
T12 >> 1462327272.71602201 Send coefs to domains (136.31204s) started
T12 << 1462327272.82113504 Send coefs to domains (136.41715s) stopped
T12 << 1462327272.82136393 Blacs Orbital Layouts (36943.20371s) stopped
T12 >> 1462327272.82139111 Calculate projections (1199.54445s) started
T12 << 1462327274.58621001 Calculate projections (1201.30926s) stopped
T12 << 1462327274.58667898 LCAO eigensolver (44174.46136s) stopped
T12 >> 1462327277.65909600 Density (10404.11775s) started
T12 >> 1462327277.65911102 Pseudo density (8027.97548s) started
T12 >> 1462327277.66104507 Calculate density matrix (7538.94688s) started
T12 << 1462327289.52040792 Calculate density matrix (7550.80625s) stopped
T12 >> 1462327289.52045703 Construct density (476.27046s) started
T12 << 1462327290.29428601 Construct density (477.04428s) stopped
T12 >> 1462327290.30980992 Symmetrize density (0.05382s) started
T12 << 1462327290.30987406 Symmetrize density (0.05388s) stopped
T12 << 1462327290.31195092 Pseudo density (8040.62832s) stopped
T12 >> 1462327290.31200695 Atomic density matrices (2097.00362s) started
T12 << 1462327293.73052812 Atomic density matrices (2100.42214s) stopped
T12 >> 1462327293.73055911 Multipole moments (7.70171s) started
T12 << 1462327293.74530697 Multipole moments (7.71646s) stopped
T12 >> 1462327293.74533606 Normalize (4.28531s) started
T12 << 1462327293.75159311 Normalize (4.29156s) stopped
T12 >> 1462327293.75164199 Mix (267.10175s) started
T12 << 1462327294.09803104 Mix (267.44814s) stopped
T12 << 1462327294.09811306 Density (10420.55677s) stopped
T12 >> 1462327294.09814596 Hamiltonian (31257.12763s) started
T12 >> 1462327294.09816194 vbar (16.90042s) started
T12 << 1462327294.12572408 vbar (16.92798s) stopped
T12 >> 1462327294.12584090 XC 3D grid (17884.18858s) started
T12 >> 1462327294.66599488 van der Waals (17273.51254s) started
T12 >> 1462327294.77372789 semilocal (3649.05128s) started
T12 << 1462327300.58714104 semilocal (3654.86469s) stopped
T12 >> 1462327300.66808510 redistribute (1856.27542s) started
T12 << 1462327301.63195896 redistribute (1857.23930s) stopped
T12 >> 1462327301.63200212 libvdwxc nonlocal (11647.69117s) started
T12 << 1462327320.66356611 libvdwxc nonlocal (11666.72274s) stopped
T12 >> 1462327320.66360688 redistribute (1857.23933s) started
T12 << 1462327322.32088089 redistribute (1858.89660s) stopped
T12 << 1462327322.32202911 van der Waals (17301.16858s) stopped
T12 << 1462327322.77331996 XC 3D grid (17912.83606s) stopped
T12 >> 1462327322.77338004 Poisson (3752.31026s) started
T12 << 1462327330.18360710 Poisson (3759.72049s) stopped
T12 >> 1462327330.18371511 Hartree integrate/restrict (235.25392s) started
T12 << 1462327330.23836303 Hartree integrate/restrict (235.30857s) stopped
T12 >> 1462327330.23846889 Hartree integrate/restrict (235.30864s) started
T12 << 1462327330.55381703 Hartree integrate/restrict (235.62399s) stopped
T12 >> 1462327330.55391002 Atomic (1511.84212s) started
T12 >> 1462327330.55564904 XC Correction (0.02098s) started
T12 << 1462327330.55566406 XC Correction (0.02099s) stopped
T12 << 1462327332.94460607 Atomic (1514.23282s) stopped
T12 >> 1462327332.94478607 Communicate (7856.38381s) started
T12 << 1462327351.27295589 Communicate (7874.71198s) stopped
T12 << 1462327351.27299404 Hamiltonian (31314.30248s) stopped
T12 >> 1462327351.27302003 LCAO eigensolver (44174.46138s) started
T12 >> 1462327351.27303290 Potential matrix (660.15844s) started
T12 << 1462327352.24407411 Potential matrix (661.12948s) stopped
T12 >> 1462327352.24414802 DistributedAtomicCorrection (276.36900s) started
T12 << 1462327352.68498898 DistributedAtomicCorrection (276.80984s) stopped
T12 >> 1462327352.68503499 Distribute overlap matrix (5090.08022s) started
T12 >> 1462327352.68506503 blocked summation (2841.68302s) started
T12 << 1462327357.25106001 blocked summation (2846.24902s) stopped
T12 >> 1462327357.25976706 Scalapack redistribute (2241.73144s) started
T12 << 1462327360.91783309 Scalapack redistribute (2245.38951s) stopped
T12 << 1462327360.91792297 Distribute overlap matrix (5098.31311s) stopped
T12 >> 1462327360.92229390 Blacs Orbital Layouts (36943.20373s) started
T12 >> 1462327360.93018508 General diagonalize (36794.96427s) started
T12 << 1462327416.62565398 General diagonalize (36850.65974s) stopped
T12 >> 1462327416.62570596 Redistribute coefs (5.60767s) started
T12 << 1462327416.63563490 Redistribute coefs (5.61760s) stopped
T12 >> 1462327416.63568711 Send coefs to domains (136.41718s) started
T12 << 1462327416.73648500 Send coefs to domains (136.51798s) stopped
T12 << 1462327416.73690391 Blacs Orbital Layouts (36999.01834s) stopped
T12 >> 1462327416.73693490 Calculate projections (1201.30931s) started
T12 << 1462327418.51561093 Calculate projections (1203.08799s) stopped
T12 << 1462327418.51589894 LCAO eigensolver (44241.70426s) stopped
T12 >> 1462327421.60347700 Density (10420.55678s) started
T12 >> 1462327421.60349298 Pseudo density (8040.62836s) started
T12 >> 1462327421.60729694 Calculate density matrix (7550.80628s) started
T12 << 1462327433.71019197 Calculate density matrix (7562.90917s) stopped
T12 >> 1462327433.71024895 Construct density (477.04434s) started
T12 << 1462327434.48274899 Construct density (477.81684s) stopped
T12 >> 1462327434.49890900 Symmetrize density (0.05390s) started
T12 << 1462327434.49898100 Symmetrize density (0.05397s) stopped
T12 << 1462327434.50145006 Pseudo density (8053.52632s) stopped
T12 >> 1462327434.50151706 Atomic density matrices (2100.42217s) started
T12 << 1462327438.00129700 Atomic density matrices (2103.92195s) stopped
T12 >> 1462327438.00133300 Multipole moments (7.71647s) started
T12 << 1462327438.01664090 Multipole moments (7.73178s) stopped
T12 >> 1462327438.01667404 Normalize (4.29160s) started
T12 << 1462327438.02465701 Normalize (4.29958s) stopped
T12 >> 1462327438.02470493 Mix (267.44822s) started
T12 << 1462327438.45861912 Mix (267.88214s) stopped
T12 << 1462327438.45868397 Density (10437.41199s) stopped
T12 >> 1462327438.45871592 Hamiltonian (31314.30249s) started
T12 >> 1462327438.45873189 vbar (16.92805s) started
T12 << 1462327438.48732901 vbar (16.95665s) stopped
T12 >> 1462327438.48745990 XC 3D grid (17912.83611s) started
T12 >> 1462327438.99075389 van der Waals (17301.16862s) started
T12 >> 1462327439.10336995 semilocal (3654.86480s) started
T12 << 1462327444.85836601 semilocal (3660.61979s) stopped
T12 >> 1462327444.92923188 redistribute (1858.89664s) started
T12 << 1462327445.95888090 redistribute (1859.92629s) stopped
T12 >> 1462327445.95895290 libvdwxc nonlocal (11666.72277s) started
T12 << 1462327464.02177906 libvdwxc nonlocal (11684.78560s) stopped
T12 >> 1462327464.02188611 redistribute (1859.92635s) started
T12 << 1462327466.19793797 redistribute (1862.10240s) stopped
T12 << 1462327466.19888091 van der Waals (17328.37674s) stopped
T12 << 1462327466.65207410 XC 3D grid (17941.00072s) stopped
T12 >> 1462327466.65213799 Poisson (3759.72057s) started
T12 << 1462327474.00411201 Poisson (3767.07255s) stopped
T12 >> 1462327474.00429797 Hartree integrate/restrict (235.62405s) started
T12 << 1462327474.04271293 Hartree integrate/restrict (235.66246s) stopped
T12 >> 1462327474.04286695 Hartree integrate/restrict (235.66257s) started
T12 << 1462327474.39317894 Hartree integrate/restrict (236.01288s) stopped
T12 >> 1462327474.39328790 Atomic (1514.23284s) started
T12 >> 1462327474.39527392 XC Correction (0.02100s) started
T12 << 1462327474.39528894 XC Correction (0.02102s) stopped
T12 << 1462327476.78807998 Atomic (1516.62764s) stopped
T12 >> 1462327476.78827691 Communicate (7874.71200s) started
T12 << 1462327494.37511706 Communicate (7892.29884s) stopped
T12 << 1462327494.37515306 Hamiltonian (31370.21893s) stopped
T12 >> 1462327494.37517691 LCAO eigensolver (44241.70428s) started
T12 >> 1462327494.37519097 Potential matrix (661.12953s) started
T12 << 1462327495.34293699 Potential matrix (662.09727s) stopped
T12 >> 1462327495.34301805 DistributedAtomicCorrection (276.80988s) started
T12 << 1462327495.78903699 DistributedAtomicCorrection (277.25590s) stopped
T12 >> 1462327495.78909802 Distribute overlap matrix (5098.31313s) started
T12 >> 1462327495.78912210 blocked summation (2846.24905s) started
T12 << 1462327500.42684603 blocked summation (2850.88677s) stopped
T12 >> 1462327500.43648005 Scalapack redistribute (2245.38957s) started
T12 << 1462327503.99258494 Scalapack redistribute (2248.94568s) stopped
T12 << 1462327503.99269009 Distribute overlap matrix (5106.51672s) stopped
T12 >> 1462327503.99729395 Blacs Orbital Layouts (36999.01836s) started
T12 >> 1462327504.00568295 General diagonalize (36850.65978s) started
T12 << 1462327561.31059790 General diagonalize (36907.96470s) stopped
T12 >> 1462327561.31065106 Redistribute coefs (5.61764s) started
T12 << 1462327561.32027292 Redistribute coefs (5.62726s) stopped
T12 >> 1462327561.32032299 Send coefs to domains (136.51802s) started
T12 << 1462327561.41540909 Send coefs to domains (136.61310s) stopped
T12 << 1462327561.41562009 Blacs Orbital Layouts (37056.43668s) stopped
T12 >> 1462327561.41565108 Calculate projections (1203.08808s) started
T12 << 1462327563.19478202 Calculate projections (1204.86721s) stopped
T12 << 1462327563.19516897 LCAO eigensolver (44310.52427s) stopped
T12 >> 1462327566.24097490 Density (10437.41200s) started
T12 >> 1462327566.24098992 Pseudo density (8053.52637s) started
T12 >> 1462327566.24419999 Calculate density matrix (7562.90921s) started
T12 << 1462327579.10384107 Calculate density matrix (7575.76886s) stopped
T12 >> 1462327579.10389709 Construct density (477.81689s) started
T12 << 1462327579.87674308 Construct density (478.58974s) stopped
T12 >> 1462327579.89388704 Symmetrize density (0.05399s) started
T12 << 1462327579.89396095 Symmetrize density (0.05407s) stopped
T12 << 1462327579.89644289 Pseudo density (8067.18182s) stopped
T12 >> 1462327579.89650798 Atomic density matrices (2103.92197s) started
T12 << 1462327583.40193510 Atomic density matrices (2107.42740s) stopped
T12 >> 1462327583.40197206 Multipole moments (7.73179s) started
T12 << 1462327583.41725111 Multipole moments (7.74707s) stopped
T12 >> 1462327583.41728401 Normalize (4.29962s) started
T12 << 1462327583.42515492 Normalize (4.30749s) stopped
T12 >> 1462327583.42520308 Mix (267.88220s) started
T12 << 1462327583.89306402 Mix (268.35006s) stopped
T12 << 1462327583.89314389 Density (10455.06417s) stopped
T12 >> 1462327583.89318109 Hamiltonian (31370.21894s) started
T12 >> 1462327583.89319801 vbar (16.95672s) started
T12 << 1462327583.93521500 vbar (16.99874s) stopped
T12 >> 1462327583.93542099 XC 3D grid (17941.00077s) started
T12 >> 1462327584.41564202 van der Waals (17328.37677s) started
T12 >> 1462327584.53054905 semilocal (3660.61985s) started
T12 << 1462327590.31000090 semilocal (3666.39930s) stopped
T12 >> 1462327590.39189410 redistribute (1862.10247s) started
T12 << 1462327591.41427207 redistribute (1863.12485s) stopped
T12 >> 1462327591.41435695 libvdwxc nonlocal (11684.78568s) started
T12 << 1462327610.32589197 libvdwxc nonlocal (11703.69722s) stopped
T12 >> 1462327610.32598090 redistribute (1863.12491s) started
T12 << 1462327612.54034090 redistribute (1865.33927s) stopped
T12 << 1462327612.54124999 van der Waals (17356.50237s) stopped
T12 << 1462327612.99858594 XC 3D grid (17970.06394s) stopped
T12 >> 1462327612.99865007 Poisson (3767.07269s) started
T12 << 1462327619.01453209 Poisson (3773.08857s) stopped
T12 >> 1462327619.01472902 Hartree integrate/restrict (236.01294s) started
T12 << 1462327619.04949903 Hartree integrate/restrict (236.04771s) stopped
T12 >> 1462327619.04973006 Hartree integrate/restrict (236.04786s) started
T12 << 1462327619.49165297 Hartree integrate/restrict (236.48979s) stopped
T12 >> 1462327619.49175310 Atomic (1516.62766s) started
T12 >> 1462327619.49368691 XC Correction (0.02103s) started
T12 << 1462327619.49370503 XC Correction (0.02105s) stopped
T12 << 1462327621.85456705 Atomic (1518.99048s) stopped
T12 >> 1462327621.85475993 Communicate (7892.29886s) started
T12 << 1462327638.66770911 Communicate (7909.11181s) stopped
T12 << 1462327638.66774297 Hamiltonian (31424.99351s) stopped
T12 >> 1462327638.66776800 LCAO eigensolver (44310.52429s) started
T12 >> 1462327638.66778111 Potential matrix (662.09732s) started
T12 << 1462327639.64073300 Potential matrix (663.07027s) stopped
T12 >> 1462327639.64082909 DistributedAtomicCorrection (277.25594s) started
T12 << 1462327640.09036493 DistributedAtomicCorrection (277.70547s) stopped
T12 >> 1462327640.09042811 Distribute overlap matrix (5106.51673s) started
T12 >> 1462327640.09045291 blocked summation (2850.88683s) started
T12 << 1462327644.70587611 blocked summation (2855.50225s) stopped
T12 >> 1462327644.71518302 Scalapack redistribute (2248.94574s) started
T12 << 1462327648.25769091 Scalapack redistribute (2252.48825s) stopped
T12 << 1462327648.25780010 Distribute overlap matrix (5114.68410s) stopped
T12 >> 1462327648.26245594 Blacs Orbital Layouts (37056.43670s) started
T12 >> 1462327648.27115893 General diagonalize (36907.96474s) started
T12 << 1462327703.32609892 General diagonalize (36963.01968s) stopped
T12 >> 1462327703.32617593 Redistribute coefs (5.62730s) started
T12 << 1462327703.33663988 Redistribute coefs (5.63776s) stopped
T12 >> 1462327703.33668995 Send coefs to domains (136.61314s) started
T12 << 1462327703.67575908 Send coefs to domains (136.95221s) stopped
T12 << 1462327703.67597795 Blacs Orbital Layouts (37111.85022s) stopped
T12 >> 1462327703.67601299 Calculate projections (1204.86727s) started
T12 << 1462327705.45567703 Calculate projections (1206.64693s) stopped
T12 << 1462327705.45589209 LCAO eigensolver (44377.31241s) stopped
T12 >> 1462327708.51614189 Density (10455.06419s) started
T12 >> 1462327708.51615810 Pseudo density (8067.18187s) started
T12 >> 1462327708.51845098 Calculate density matrix (7575.76889s) started
T12 << 1462327720.42834806 Calculate density matrix (7587.67879s) stopped
T12 >> 1462327720.42840505 Construct density (478.58980s) started
T12 << 1462327721.20412803 Construct density (479.36552s) stopped
T12 >> 1462327721.22267199 Symmetrize density (0.05409s) started
T12 << 1462327721.22274590 Symmetrize density (0.05416s) stopped
T12 << 1462327721.22525096 Pseudo density (8079.89097s) stopped
T12 >> 1462327721.22532201 Atomic density matrices (2107.42743s) started
T12 << 1462327724.67723703 Atomic density matrices (2110.87934s) stopped
T12 >> 1462327724.67727494 Multipole moments (7.74709s) started
T12 << 1462327724.69251609 Multipole moments (7.76233s) stopped
T12 >> 1462327724.69255090 Normalize (4.30752s) started
T12 << 1462327724.69907689 Normalize (4.31405s) stopped
T12 >> 1462327724.69912195 Mix (268.35014s) started
T12 << 1462327725.17032790 Mix (268.82134s) stopped
T12 << 1462327725.17037511 Density (10471.71842s) stopped
T12 >> 1462327725.17040205 Hamiltonian (31424.99352s) started
T12 >> 1462327725.17041612 vbar (16.99885s) started
T12 << 1462327725.20260310 vbar (17.03104s) stopped
T12 >> 1462327725.20278406 XC 3D grid (17970.06399s) started
T12 >> 1462327725.67787099 van der Waals (17356.50240s) started
T12 >> 1462327725.79209495 semilocal (3666.39942s) started
T12 << 1462327731.56345105 semilocal (3672.17077s) stopped
T12 >> 1462327731.63786793 redistribute (1865.33934s) started
T12 << 1462327732.68331409 redistribute (1866.38478s) stopped
T12 >> 1462327732.68338609 libvdwxc nonlocal (11703.69728s) started
T12 << 1462327750.83519411 libvdwxc nonlocal (11721.84909s) stopped
T12 >> 1462327750.83527088 redistribute (1866.38484s) started
T12 << 1462327752.84476995 redistribute (1868.39434s) stopped
T12 << 1462327752.84614396 van der Waals (17383.67067s) stopped
T12 << 1462327753.29573107 XC 3D grid (17998.15694s) stopped
T12 >> 1462327753.29577994 Poisson (3773.08871s) started
T12 << 1462327757.71432304 Poisson (3777.50725s) stopped
T12 >> 1462327757.71448994 Hartree integrate/restrict (236.48984s) started
T12 << 1462327757.75263000 Hartree integrate/restrict (236.52798s) stopped
T12 >> 1462327757.75277591 Hartree integrate/restrict (236.52807s) started
T12 << 1462327758.08934498 Hartree integrate/restrict (236.86464s) stopped
T12 >> 1462327758.08944607 Atomic (1518.99050s) started
T12 >> 1462327758.09140801 XC Correction (0.02106s) started
T12 << 1462327758.09142303 XC Correction (0.02108s) stopped
T12 << 1462327760.47867608 Atomic (1521.37973s) stopped
T12 >> 1462327760.47886610 Communicate (7909.11184s) started
T12 << 1462327777.31020308 Communicate (7925.94317s) stopped
T12 << 1462327777.31024694 Hamiltonian (31477.13336s) stopped
T12 >> 1462327777.31027293 LCAO eigensolver (44377.31243s) started
T12 >> 1462327777.31028700 Potential matrix (663.07033s) started
T12 << 1462327778.28967595 Potential matrix (664.04971s) stopped
T12 >> 1462327778.28975701 DistributedAtomicCorrection (277.70551s) started
T12 << 1462327778.75222301 DistributedAtomicCorrection (278.16798s) stopped
T12 >> 1462327778.75229096 Distribute overlap matrix (5114.68415s) started
T12 >> 1462327778.75231600 blocked summation (2855.50229s) started
T12 << 1462327783.27919602 blocked summation (2860.02917s) stopped
T12 >> 1462327783.28933907 Scalapack redistribute (2252.48831s) started
T12 << 1462327786.90548897 Scalapack redistribute (2256.10446s) stopped
T12 << 1462327786.90561700 Distribute overlap matrix (5122.83748s) stopped
T12 >> 1462327786.91046906 Blacs Orbital Layouts (37111.85024s) started
T12 >> 1462327786.91877294 General diagonalize (36963.01975s) started
T12 << 1462327840.25043106 General diagonalize (37016.35140s) stopped
T12 >> 1462327840.25050712 Redistribute coefs (5.63780s) started
T12 << 1462327840.26039004 Redistribute coefs (5.64768s) stopped
T12 >> 1462327840.26044011 Send coefs to domains (136.95225s) started
T12 << 1462327840.36745906 Send coefs to domains (137.05927s) stopped
T12 << 1462327840.36763406 Blacs Orbital Layouts (37165.30741s) stopped
T12 >> 1462327840.36766410 Calculate projections (1206.64699s) started
T12 << 1462327842.14732194 Calculate projections (1208.42665s) stopped
T12 << 1462327842.14772296 LCAO eigensolver (44442.14988s) stopped
T12 >> 1462327845.20420098 Density (10471.71843s) started
T12 >> 1462327845.20421696 Pseudo density (8079.89102s) started
T12 >> 1462327845.20657492 Calculate density matrix (7587.67883s) started
T12 << 1462327857.05381894 Calculate density matrix (7599.52607s) stopped
T12 >> 1462327857.05387998 Construct density (479.36558s) started
T12 << 1462327857.82936192 Construct density (480.14106s) stopped
T12 >> 1462327857.84589601 Symmetrize density (0.05418s) started
T12 << 1462327857.84597301 Symmetrize density (0.05426s) stopped
T12 << 1462327857.84845209 Pseudo density (8092.53526s) stopped
T12 >> 1462327857.84852195 Atomic density matrices (2110.87937s) started
T12 << 1462327861.31859994 Atomic density matrices (2114.34945s) stopped
T12 >> 1462327861.31863809 Multipole moments (7.76235s) started
T12 << 1462327861.33326197 Multipole moments (7.77697s) stopped
T12 >> 1462327861.33329701 Normalize (4.31408s) started
T12 << 1462327861.34007192 Normalize (4.32086s) stopped
T12 >> 1462327861.34011793 Mix (268.82139s) started
T12 << 1462327861.76611900 Mix (269.24739s) stopped
T12 << 1462327861.76619005 Density (10488.28042s) stopped
T12 >> 1462327861.76622105 Hamiltonian (31477.13338s) started
T12 >> 1462327861.76623607 vbar (17.03114s) started
T12 << 1462327861.78887796 vbar (17.05378s) stopped
T12 >> 1462327861.78901005 XC 3D grid (17998.15697s) started
T12 >> 1462327862.32448602 van der Waals (17383.67072s) started
T12 >> 1462327862.43820691 semilocal (3672.17089s) started
T12 << 1462327868.17922306 semilocal (3677.91190s) stopped
T12 >> 1462327868.25314212 redistribute (1868.39438s) started
T12 << 1462327869.32074809 redistribute (1869.46199s) stopped
T12 >> 1462327869.32082200 libvdwxc nonlocal (11721.84915s) started
T12 << 1462327887.71446705 libvdwxc nonlocal (11740.24279s) stopped
T12 >> 1462327887.71455193 redistribute (1869.46205s) started
T12 << 1462327889.83935905 redistribute (1871.58685s) stopped
T12 << 1462327889.84057999 van der Waals (17411.18681s) stopped
T12 << 1462327890.30363607 XC 3D grid (18026.67160s) stopped
T12 >> 1462327890.30370688 Poisson (3777.50738s) started
T12 << 1462327894.72014809 Poisson (3781.92382s) stopped
T12 >> 1462327894.72032094 Hartree integrate/restrict (236.86469s) started
T12 << 1462327894.75719810 Hartree integrate/restrict (236.90157s) stopped
T12 >> 1462327894.75735593 Hartree integrate/restrict (236.90167s) started
T12 << 1462327895.12133288 Hartree integrate/restrict (237.26565s) stopped
T12 >> 1462327895.12143898 Atomic (1521.37975s) started
T12 >> 1462327895.12336612 XC Correction (0.02109s) started
T12 << 1462327895.12338090 XC Correction (0.02110s) stopped
T12 << 1462327897.50089407 Atomic (1523.75921s) stopped
T12 >> 1462327897.50107598 Communicate (7925.94320s) started
T12 << 1462327914.33621097 Communicate (7942.77834s) stopped
T12 << 1462327914.33624911 Hamiltonian (31529.70341s) stopped
T12 >> 1462327914.33627295 LCAO eigensolver (44442.14990s) started
T12 >> 1462327914.33628702 Potential matrix (664.04976s) started
T12 << 1462327915.30896711 Potential matrix (665.02244s) stopped
T12 >> 1462327915.30904794 DistributedAtomicCorrection (278.16802s) started
T12 << 1462327915.76192904 DistributedAtomicCorrection (278.62090s) stopped
T12 >> 1462327915.76199007 Distribute overlap matrix (5122.83749s) started
T12 >> 1462327915.76201510 blocked summation (2860.02922s) started
T12 << 1462327920.37864494 blocked summation (2864.64585s) stopped
T12 >> 1462327920.38878107 Scalapack redistribute (2256.10454s) started
T12 << 1462327923.94312501 Scalapack redistribute (2259.65888s) stopped
T12 << 1462327923.94323301 Distribute overlap matrix (5131.01874s) stopped
T12 >> 1462327923.94774294 Blacs Orbital Layouts (37165.30743s) started
T12 >> 1462327923.95584202 General diagonalize (37016.35147s) started
T12 << 1462327978.76617408 General diagonalize (37071.16180s) stopped
T12 >> 1462327978.76623297 Redistribute coefs (5.64772s) started
T12 << 1462327978.77578807 Redistribute coefs (5.65728s) stopped
T12 >> 1462327978.77584100 Send coefs to domains (137.05931s) started
T12 << 1462327978.97977400 Send coefs to domains (137.26324s) stopped
T12 << 1462327978.98000312 Blacs Orbital Layouts (37220.33969s) stopped
T12 >> 1462327978.98004007 Calculate projections (1208.42670s) started
T12 << 1462327980.75927210 Calculate projections (1210.20593s) stopped
T12 << 1462327980.75968099 LCAO eigensolver (44508.57331s) stopped
T12 >> 1462327983.81210303 Density (10488.28044s) started
T12 >> 1462327983.81211996 Pseudo density (8092.53531s) started
T12 >> 1462327983.81534600 Calculate density matrix (7599.52612s) started
T12 << 1462327995.70573902 Calculate density matrix (7611.41651s) stopped
T12 >> 1462327995.70579600 Construct density (480.14112s) started
T12 << 1462327996.48011088 Construct density (480.91544s) stopped
T12 >> 1462327996.49768305 Symmetrize density (0.05428s) started
T12 << 1462327996.49775791 Symmetrize density (0.05435s) stopped
T12 << 1462327996.50024891 Pseudo density (8105.22344s) stopped
T12 >> 1462327996.50031400 Atomic density matrices (2114.34948s) started
T12 << 1462327999.98107004 Atomic density matrices (2117.83024s) stopped
T12 >> 1462327999.98110795 Multipole moments (7.77699s) started
T12 << 1462327999.99637103 Multipole moments (7.79225s) stopped
T12 >> 1462327999.99640393 Normalize (4.32089s) started
T12 << 1462328000.00408506 Normalize (4.32857s) stopped
T12 >> 1462328000.00412989 Mix (269.24746s) started
T12 << 1462328000.47369003 Mix (269.71702s) stopped
T12 << 1462328000.47375011 Density (10504.94208s) stopped
T12 >> 1462328000.47377992 Hamiltonian (31529.70342s) started
T12 >> 1462328000.47379589 vbar (17.05385s) started
T12 << 1462328000.50719905 vbar (17.08726s) stopped
T12 >> 1462328000.50737810 XC 3D grid (18026.67165s) started
T12 >> 1462328000.98412204 van der Waals (17411.18684s) started
T12 >> 1462328001.10220504 semilocal (3677.91202s) started
T12 << 1462328006.91940594 semilocal (3683.72922s) stopped
T12 >> 1462328006.99537492 redistribute (1871.58691s) started
T12 << 1462328007.97815609 redistribute (1872.56969s) stopped
T12 >> 1462328007.97821307 libvdwxc nonlocal (11740.24286s) started
T12 << 1462328026.16064310 libvdwxc nonlocal (11758.42529s) stopped
T12 >> 1462328026.16071892 redistribute (1872.56973s) started
T12 << 1462328028.11666393 redistribute (1874.52568s) stopped
T12 << 1462328028.11826396 van der Waals (17438.32098s) stopped
T12 << 1462328028.56072688 XC 3D grid (18054.72500s) stopped
T12 >> 1462328028.56079006 Poisson (3781.92395s) started
T12 << 1462328032.90155792 Poisson (3786.26472s) stopped
T12 >> 1462328032.90165401 Hartree integrate/restrict (237.26570s) started
T12 << 1462328032.93943906 Hartree integrate/restrict (237.30349s) stopped
T12 >> 1462328032.93953490 Hartree integrate/restrict (237.30355s) started
T12 << 1462328033.28356910 Hartree integrate/restrict (237.64758s) stopped
T12 >> 1462328033.28366208 Atomic (1523.75923s) started
T12 >> 1462328033.28563809 XC Correction (0.02111s) started
T12 << 1462328033.28565693 XC Correction (0.02113s) stopped
T12 << 1462328035.64348197 Atomic (1526.11905s) stopped
T12 >> 1462328035.64365911 Communicate (7942.77836s) started
T12 << 1462328052.45268512 Communicate (7959.58739s) stopped
T12 << 1462328052.45272708 Hamiltonian (31581.68237s) stopped
T12 >> 1462328052.45275402 LCAO eigensolver (44508.57333s) started
T12 >> 1462328052.45276690 Potential matrix (665.02249s) started
T12 << 1462328053.42652202 Potential matrix (665.99624s) stopped
T12 >> 1462328053.42660499 DistributedAtomicCorrection (278.62094s) started
T12 << 1462328053.88409400 DistributedAtomicCorrection (279.07843s) stopped
T12 >> 1462328053.88416004 Distribute overlap matrix (5131.01875s) started
T12 >> 1462328053.88418508 blocked summation (2864.64591s) started
T12 << 1462328058.49334693 blocked summation (2869.25507s) stopped
T12 >> 1462328058.50260901 Scalapack redistribute (2259.65894s) started
T12 << 1462328062.08485603 Scalapack redistribute (2263.24119s) stopped
T12 << 1462328062.08495808 Distribute overlap matrix (5139.21955s) stopped
T12 >> 1462328062.08951306 Blacs Orbital Layouts (37220.33971s) started
T12 >> 1462328062.09779501 General diagonalize (37071.16185s) started
T12 << 1462328116.89861202 General diagonalize (37125.96266s) stopped
T12 >> 1462328116.89865708 Redistribute coefs (5.65731s) started
T12 << 1462328116.90833306 Redistribute coefs (5.66699s) stopped
T12 >> 1462328116.90837407 Send coefs to domains (137.26328s) started
T12 << 1462328117.01016903 Send coefs to domains (137.36507s) stopped
T12 << 1462328117.01047397 Blacs Orbital Layouts (37275.26067s) stopped
T12 >> 1462328117.01050210 Calculate projections (1210.20599s) started
T12 << 1462328118.77988195 Calculate projections (1211.97537s) stopped
T12 << 1462328118.78035092 LCAO eigensolver (44574.90092s) stopped
T12 >> 1462328121.83900905 Density (10504.94210s) started
T12 >> 1462328121.83902502 Pseudo density (8105.22349s) started
T12 >> 1462328121.84087706 Calculate density matrix (7611.41655s) started
T12 << 1462328133.72521091 Calculate density matrix (7623.30088s) stopped
T12 >> 1462328133.72526002 Construct density (480.91550s) started
T12 << 1462328134.50171304 Construct density (481.69195s) stopped
T12 >> 1462328134.51681590 Symmetrize density (0.05437s) started
T12 << 1462328134.51687908 Symmetrize density (0.05443s) stopped
T12 << 1462328134.51896596 Pseudo density (8117.90343s) stopped
T12 >> 1462328134.51902294 Atomic density matrices (2117.83027s) started
T12 << 1462328137.95610595 Atomic density matrices (2121.26735s) stopped
T12 >> 1462328137.95614004 Multipole moments (7.79227s) started
T12 << 1462328137.97139597 Multipole moments (7.80753s) stopped
T12 >> 1462328137.97142792 Normalize (4.32860s) started
T12 << 1462328137.97755790 Normalize (4.33473s) stopped
T12 >> 1462328137.97763610 Mix (269.71708s) started
T12 << 1462328138.42593694 Mix (270.16538s) stopped
T12 << 1462328138.42599106 Density (10521.52908s) stopped
T12 >> 1462328138.42602301 Hamiltonian (31581.68238s) started
T12 >> 1462328138.42603898 vbar (17.08736s) started
T12 << 1462328138.45106506 vbar (17.11238s) stopped
T12 >> 1462328138.45120096 XC 3D grid (18054.72505s) started
T12 >> 1462328138.95585895 van der Waals (17438.32106s) started
T12 >> 1462328139.06249094 semilocal (3683.72927s) started
T12 << 1462328144.83553195 semilocal (3689.50231s) stopped
T12 >> 1462328144.90736103 redistribute (1874.52572s) started
T12 << 1462328145.95915699 redistribute (1875.57752s) stopped
T12 >> 1462328145.95919895 libvdwxc nonlocal (11758.42535s) started
T12 << 1462328164.48898411 libvdwxc nonlocal (11776.95513s) stopped
T12 >> 1462328164.48904490 redistribute (1875.57755s) started
T12 << 1462328166.17059398 redistribute (1877.25910s) stopped
T12 << 1462328166.17167497 van der Waals (17465.53687s) stopped
T12 << 1462328166.61774111 XC 3D grid (18082.89160s) stopped
T12 >> 1462328166.61779499 Poisson (3786.26479s) started
T12 << 1462328169.55103993 Poisson (3789.19803s) stopped
T12 >> 1462328169.55110598 Hartree integrate/restrict (237.64762s) started
T12 << 1462328169.60028696 Hartree integrate/restrict (237.69680s) stopped
T12 >> 1462328169.60036111 Hartree integrate/restrict (237.69686s) started
T12 << 1462328169.97473192 Hartree integrate/restrict (238.07123s) stopped
T12 >> 1462328169.97484112 Atomic (1526.11908s) started
T12 >> 1462328169.97670102 XC Correction (0.02114s) started
T12 << 1462328169.97672510 XC Correction (0.02117s) stopped
T12 << 1462328172.34705305 Atomic (1528.49129s) stopped
T12 >> 1462328172.34720802 Communicate (7959.58742s) started
T12 << 1462328189.21546602 Communicate (7976.45568s) stopped
T12 << 1462328189.21550202 Hamiltonian (31632.47186s) stopped
T12 >> 1462328189.21552706 LCAO eigensolver (44574.90094s) started
T12 >> 1462328189.21553993 Potential matrix (665.99629s) started
T12 << 1462328190.18682790 Potential matrix (666.96757s) stopped
T12 >> 1462328190.18689895 DistributedAtomicCorrection (279.07847s) started
T12 << 1462328190.64021802 DistributedAtomicCorrection (279.53179s) stopped
T12 >> 1462328190.64027691 Distribute overlap matrix (5139.21956s) started
T12 >> 1462328190.64029789 blocked summation (2869.25510s) started
T12 << 1462328195.32933402 blocked summation (2873.94414s) stopped
T12 >> 1462328195.33880496 Scalapack redistribute (2263.24125s) started
T12 << 1462328198.85432601 Scalapack redistribute (2266.75677s) stopped
T12 << 1462328198.85440803 Distribute overlap matrix (5147.43369s) stopped
T12 >> 1462328198.85843110 Blacs Orbital Layouts (37275.26069s) started
T12 >> 1462328198.86630106 General diagonalize (37125.96270s) started
T12 << 1462328255.07835603 General diagonalize (37182.17476s) stopped
T12 >> 1462328255.07840204 Redistribute coefs (5.66702s) started
T12 << 1462328255.08787990 Redistribute coefs (5.67650s) stopped
T12 >> 1462328255.08792090 Send coefs to domains (137.36511s) started
T12 << 1462328255.19655991 Send coefs to domains (137.47375s) stopped
T12 << 1462328255.19674706 Blacs Orbital Layouts (37331.59901s) stopped
T12 >> 1462328255.19678402 Calculate projections (1211.97542s) started
T12 << 1462328256.96917701 Calculate projections (1213.74781s) stopped
T12 << 1462328256.96953797 LCAO eigensolver (44642.65495s) stopped
T12 >> 1462328260.06092691 Density (10521.52909s) started
T12 >> 1462328260.06094193 Pseudo density (8117.90348s) started
T12 >> 1462328260.06293893 Calculate density matrix (7623.30092s) started
T12 << 1462328271.86911011 Calculate density matrix (7635.10709s) stopped
T12 >> 1462328271.86915708 Construct density (481.69200s) started
T12 << 1462328272.64379001 Construct density (482.46663s) stopped
T12 >> 1462328272.65991902 Symmetrize density (0.05445s) started
T12 << 1462328272.65998197 Symmetrize density (0.05451s) stopped
T12 << 1462328272.66206503 Pseudo density (8130.50460s) stopped
T12 >> 1462328272.66212201 Atomic density matrices (2121.26738s) started
T12 << 1462328276.12484407 Atomic density matrices (2124.73010s) stopped
T12 >> 1462328276.12487793 Multipole moments (7.80754s) started
T12 << 1462328276.14012599 Multipole moments (7.82279s) stopped
T12 >> 1462328276.14015603 Normalize (4.33479s) started
T12 << 1462328276.14646101 Normalize (4.34110s) stopped
T12 >> 1462328276.14650893 Mix (270.16543s) started
T12 << 1462328276.55855894 Mix (270.57748s) stopped
T12 << 1462328276.55860496 Density (10538.02677s) stopped
T12 >> 1462328276.55862904 Hamiltonian (31632.47187s) started
T12 >> 1462328276.55864310 vbar (17.11246s) started
T12 << 1462328276.58136892 vbar (17.13518s) stopped
T12 >> 1462328276.58147097 XC 3D grid (18082.89164s) started
T12 >> 1462328277.07574511 van der Waals (17465.53691s) started
T12 >> 1462328277.18748689 semilocal (3689.50239s) started
T12 << 1462328283.00968409 semilocal (3695.32459s) stopped
T12 >> 1462328283.08152199 redistribute (1877.25914s) started
T12 << 1462328284.05198407 redistribute (1878.22960s) stopped
T12 >> 1462328284.05203700 libvdwxc nonlocal (11776.95518s) started
T12 << 1462328302.40331101 libvdwxc nonlocal (11795.30645s) stopped
T12 >> 1462328302.40337896 redistribute (1878.22963s) started
T12 << 1462328304.10706806 redistribute (1879.93332s) stopped
T12 << 1462328304.10817695 van der Waals (17492.56934s) stopped
T12 << 1462328304.56053495 XC 3D grid (18110.87070s) stopped
T12 >> 1462328304.56059504 Poisson (3789.19808s) started
T12 << 1462328309.11646891 Poisson (3793.75396s) stopped
T12 >> 1462328309.11654401 Hartree integrate/restrict (238.07130s) started
T12 << 1462328309.16092396 Hartree integrate/restrict (238.11568s) stopped
T12 >> 1462328309.16096711 Hartree integrate/restrict (238.11570s) started
T12 << 1462328309.47266793 Hartree integrate/restrict (238.42740s) stopped
T12 >> 1462328309.47276592 Atomic (1528.49131s) started
T12 >> 1462328309.47455192 XC Correction (0.02118s) started
T12 << 1462328309.47456694 XC Correction (0.02119s) stopped
T12 << 1462328311.85227108 Atomic (1530.87082s) stopped
T12 >> 1462328311.85242295 Communicate (7976.45570s) started
T12 << 1462328328.79386806 Communicate (7993.39714s) stopped
T12 << 1462328328.79390502 Hamiltonian (31684.70715s) stopped
T12 >> 1462328328.79393005 LCAO eigensolver (44642.65497s) started
T12 >> 1462328328.79394293 Potential matrix (666.96762s) started
T12 << 1462328329.76327300 Potential matrix (667.93695s) stopped
T12 >> 1462328329.76334596 DistributedAtomicCorrection (279.53182s) started
T12 << 1462328330.21112895 DistributedAtomicCorrection (279.97961s) stopped
T12 >> 1462328330.21118689 Distribute overlap matrix (5147.43370s) started
T12 >> 1462328330.21120906 blocked summation (2873.94417s) started
T12 << 1462328334.81951904 blocked summation (2878.55248s) stopped
T12 >> 1462328334.82928491 Scalapack redistribute (2266.75682s) started
T12 << 1462328338.39615893 Scalapack redistribute (2270.32369s) stopped
T12 << 1462328338.39625812 Distribute overlap matrix (5155.61878s) stopped
T12 >> 1462328338.40063906 Blacs Orbital Layouts (37331.59902s) started
T12 >> 1462328338.40850592 General diagonalize (37182.17479s) started
T12 << 1462328391.61900401 General diagonalize (37235.38529s) stopped
T12 >> 1462328391.61906099 Redistribute coefs (5.67653s) started
T12 << 1462328391.62851000 Redistribute coefs (5.68598s) stopped
T12 >> 1462328391.62855101 Send coefs to domains (137.47378s) started
T12 << 1462328391.72784710 Send coefs to domains (137.57308s) stopped
T12 << 1462328391.72802806 Blacs Orbital Layouts (37384.92641s) stopped
T12 >> 1462328391.72806001 Calculate projections (1213.74787s) started
T12 << 1462328393.49586391 Calculate projections (1215.51567s) stopped
T12 << 1462328393.49605298 LCAO eigensolver (44707.35710s) stopped
T12 >> 1462328396.59210896 Density (10538.02678s) started
T12 >> 1462328396.59212494 Pseudo density (8130.50464s) started
T12 >> 1462328396.59421492 Calculate density matrix (7635.10712s) started
T12 << 1462328408.49272990 Calculate density matrix (7647.00563s) stopped
T12 >> 1462328408.49277711 Construct density (482.46668s) started
T12 << 1462328409.26912594 Construct density (483.24303s) stopped
T12 >> 1462328409.28422308 Symmetrize density (0.05453s) started
T12 << 1462328409.28428698 Symmetrize density (0.05459s) stopped
T12 << 1462328409.28636694 Pseudo density (8143.19889s) stopped
T12 >> 1462328409.28642392 Atomic density matrices (2124.73012s) started
T12 << 1462328412.73947906 Atomic density matrices (2128.18318s) stopped
T12 >> 1462328412.73951292 Multipole moments (7.82281s) started
T12 << 1462328412.75477409 Multipole moments (7.83807s) stopped
T12 >> 1462328412.75480604 Normalize (4.34113s) started
T12 << 1462328412.76101804 Normalize (4.34734s) stopped
T12 >> 1462328412.76110792 Mix (270.57753s) started
T12 << 1462328413.21494889 Mix (271.03137s) stopped
T12 << 1462328413.21502709 Density (10554.64970s) stopped
T12 >> 1462328413.21506000 Hamiltonian (31684.70716s) started
T12 >> 1462328413.21507502 vbar (17.13524s) started
T12 << 1462328413.23866606 vbar (17.15884s) stopped
T12 >> 1462328413.23876500 XC 3D grid (18110.87075s) started
T12 >> 1462328413.73815703 van der Waals (17492.56938s) started
T12 >> 1462328413.84715605 semilocal (3695.32465s) started
T12 << 1462328419.60363197 semilocal (3701.08112s) stopped
T12 >> 1462328419.68778110 redistribute (1879.93338s) started
T12 << 1462328420.72156000 redistribute (1880.96716s) stopped
T12 >> 1462328420.72165608 libvdwxc nonlocal (11795.30650s) started
T12 << 1462328439.33603311 libvdwxc nonlocal (11813.92088s) stopped
T12 >> 1462328439.33610010 redistribute (1880.96723s) started
T12 << 1462328441.05478501 redistribute (1882.68592s) stopped
T12 << 1462328441.05602288 van der Waals (17519.88725s) stopped
T12 << 1462328441.51556802 XC 3D grid (18139.14755s) stopped
T12 >> 1462328441.51560998 Poisson (3793.75401s) started
T12 << 1462328444.43090296 Poisson (3796.66930s) stopped
T12 >> 1462328444.43101001 Hartree integrate/restrict (238.42746s) started
T12 << 1462328444.47149611 Hartree integrate/restrict (238.46794s) stopped
T12 >> 1462328444.47164106 Hartree integrate/restrict (238.46805s) started
T12 << 1462328444.81553292 Hartree integrate/restrict (238.81194s) stopped
T12 >> 1462328444.81561708 Atomic (1530.87084s) started
T12 >> 1462328444.81736398 XC Correction (0.02120s) started
T12 << 1462328444.81737900 XC Correction (0.02122s) stopped
T12 << 1462328447.17652702 Atomic (1533.23175s) stopped
T12 >> 1462328447.17667198 Communicate (7993.39717s) started
T12 << 1462328464.11498809 Communicate (8010.33548s) stopped
T12 << 1462328464.11502695 Hamiltonian (31735.60713s) stopped
T12 >> 1462328464.11505103 LCAO eigensolver (44707.35711s) started
T12 >> 1462328464.11506510 Potential matrix (667.93699s) started
T12 << 1462328465.08766508 Potential matrix (668.90959s) stopped
T12 >> 1462328465.08773589 DistributedAtomicCorrection (279.97964s) started
T12 << 1462328465.53358793 DistributedAtomicCorrection (280.42550s) stopped
T12 >> 1462328465.53364801 Distribute overlap matrix (5155.61879s) started
T12 >> 1462328465.53366995 blocked summation (2878.55253s) started
T12 << 1462328470.25058889 blocked summation (2883.26945s) stopped
T12 >> 1462328470.26008010 Scalapack redistribute (2270.32375s) started
T12 << 1462328473.64656997 Scalapack redistribute (2273.71024s) stopped
T12 << 1462328473.64666891 Distribute overlap matrix (5163.73181s) stopped
T12 >> 1462328473.65080404 Blacs Orbital Layouts (37384.92643s) started
T12 >> 1462328473.65872502 General diagonalize (37235.38534s) started
T12 << 1462328528.47167301 General diagonalize (37290.19828s) stopped
T12 >> 1462328528.47172403 Redistribute coefs (5.68601s) started
T12 << 1462328528.48140502 Redistribute coefs (5.69569s) stopped
T12 >> 1462328528.48145509 Send coefs to domains (137.57311s) started
T12 << 1462328528.57625794 Send coefs to domains (137.66792s) stopped
T12 << 1462328528.57649207 Blacs Orbital Layouts (37439.85212s) stopped
T12 >> 1462328528.57652712 Calculate projections (1215.51572s) started
T12 << 1462328530.35635304 Calculate projections (1217.29555s) stopped
T12 << 1462328530.35681510 LCAO eigensolver (44773.59888s) stopped
T12 << 1462328533.43938804 SCF-cycle (89257.58622s) stopped
T12 >> 1462328535.50211096 Force calculation (4091.15684s) started
T12 >> 1462328535.50220609 LCAO forces (4046.83854s) started
T12 >> 1462328535.50258803 Initial (0.00118s) started
T12 << 1462328535.50259900 Initial (0.00119s) stopped
T12 >> 1462328535.50925589 Get density matrix (2113.96056s) started
T12 << 1462328544.65035009 Get density matrix (2123.10165s) stopped
T12 >> 1462328544.65040112 Potential (319.37306s) started
T12 << 1462328550.84953594 Potential (325.57220s) stopped
T12 >> 1462328550.84959793 Get density matrix (2123.10169s) started
T12 << 1462328582.17924094 Get density matrix (2154.43134s) stopped
T12 >> 1462328582.17930698 Prepare TCI loop (112.63070s) started
T12 >> 1462328582.17988205 Get neighbors (101.16328s) started
T12 << 1462328584.18516588 Get neighbors (103.16856s) stopped
T12 >> 1462328584.18618011 broadcast dH (11.40666s) started
T12 << 1462328584.39078093 broadcast dH (11.61126s) stopped
T12 << 1462328584.39083195 Prepare TCI loop (114.84223s) stopped
T12 >> 1462328584.39085293 Not so complicated loop (6.19217s) started
T12 << 1462328584.51510596 Not so complicated loop (6.31642s) stopped
T12 >> 1462328584.64290500 Complicated loop (976.73371s) started
T12 << 1462328604.62445498 Complicated loop (996.71526s) stopped
T12 >> 1462328604.62679005 Wait for sum (511.28804s) started
T12 << 1462328614.98195696 Wait for sum (521.64321s) stopped
T12 << 1462328614.98200011 LCAO forces (4126.31833s) stopped
T12 << 1462328615.88356590 Force calculation (4171.53830s) stopped
T12 >> 1462328615.90157509 Initialization (6815.58999s) started
T12 << 1462328615.90175200 Initialization (6815.59017s) stopped
T12 >> 1462328615.90199089 Initialization (6815.59018s) started
T12 << 1462328615.90212607 Initialization (6815.59032s) stopped
T12 >> 1462328615.90226412 Initialization (6815.59033s) started
T12 << 1462328615.90239501 Initialization (6815.59046s) stopped
T12 >> 1462328636.21782303 Initialization (6815.59048s) started
T12 >> 1462328636.35939193 Basic WFS set positions (4.67751s) started
T12 >> 1462328636.35941792 Redistribute (0.01456s) started
T12 << 1462328636.35955191 Redistribute (0.01469s) stopped
T12 << 1462328636.44921708 Basic WFS set positions (4.76733s) stopped
T12 >> 1462328636.44924688 Basis functions set positions (97.88228s) started
T12 << 1462328638.38452911 Basis functions set positions (99.81756s) stopped
T12 >> 1462328638.38518310 TCI: Calculate S, T, P (812.90774s) started
T12 << 1462328654.09534192 TCI: Calculate S, T, P (828.61789s) stopped
T12 >> 1462328654.09540200 blocked summation (1285.23811s) started
T12 << 1462328684.44581008 blocked summation (1315.58852s) stopped
T12 >> 1462328684.45615506 Scalapack redistribute (484.77519s) started
T12 << 1462328692.97412109 Scalapack redistribute (493.29315s) stopped
T12 >> 1462328692.97527194 blocked summation (1315.58864s) started
T12 << 1462328693.96048188 blocked summation (1316.57385s) stopped
T12 >> 1462328693.97074008 Scalapack redistribute (493.29319s) started
T12 << 1462328694.17049003 Scalapack redistribute (493.49294s) stopped
T12 >> 1462328694.17264199 Redistribute (0.11141s) started
T12 << 1462328694.17320991 Redistribute (0.11198s) stopped
T12 >> 1462328695.90110993 Redistribute (0.11200s) started
T12 << 1462328695.90158510 Redistribute (0.11247s) stopped
T12 >> 1462328695.91882706 LCAO WFS Initialize (4025.76433s) started
T12 >> 1462328695.91886711 Density initialize from wavefunctions (760.37000s) started
T12 >> 1462328695.92312598 Calculate density matrix (525.88828s) started
T12 << 1462328705.73773003 Calculate density matrix (535.70288s) stopped
T12 >> 1462328705.73778605 Construct density (40.01035s) started
T12 << 1462328706.51794696 Construct density (40.79051s) stopped
T12 >> 1462328706.53219008 Symmetrize density (0.00437s) started
T12 << 1462328706.53225493 Symmetrize density (0.00443s) stopped
T12 << 1462328710.27387404 Density initialize from wavefunctions (774.72500s) stopped
T12 >> 1462328710.27421594 Hamiltonian (3264.46411s) started
T12 >> 1462328710.27423692 vbar (1.48937s) started
T12 << 1462328710.29963994 vbar (1.51477s) stopped
T12 >> 1462328710.29976892 XC 3D grid (1538.01963s) started
T12 >> 1462328710.81538010 van der Waals (1485.67878s) started
T12 >> 1462328710.92681193 semilocal (312.78272s) started
T12 << 1462328716.73705697 semilocal (318.59297s) stopped
T12 >> 1462328716.81704211 redistribute (169.83323s) started
T12 << 1462328717.77809501 redistribute (170.79428s) stopped
T12 >> 1462328717.77815795 libvdwxc nonlocal (992.71565s) started
T12 << 1462328735.94633889 libvdwxc nonlocal (1010.88383s) stopped
T12 >> 1462328735.94642401 redistribute (170.79432s) started
T12 << 1462328738.09654498 redistribute (172.94444s) stopped
T12 << 1462328738.09767795 van der Waals (1512.96107s) stopped
T12 << 1462328738.57533598 XC 3D grid (1566.29519s) stopped
T12 >> 1462328738.57540488 Poisson (781.71544s) started
T12 << 1462328757.38444400 Poisson (800.52447s) stopped
T12 >> 1462328757.38453007 Hartree integrate/restrict (20.14528s) started
T12 << 1462328757.42668509 Hartree integrate/restrict (20.18744s) stopped
T12 >> 1462328757.42677689 Hartree integrate/restrict (20.18749s) started
T12 << 1462328757.79712510 Hartree integrate/restrict (20.55784s) stopped
T12 >> 1462328757.79720712 Atomic (128.00167s) started
T12 >> 1462328757.79948592 XC Correction (0.00197s) started
T12 << 1462328757.79953504 XC Correction (0.00202s) stopped
T12 << 1462328760.17805505 Atomic (130.38252s) stopped
T12 >> 1462328760.17824602 Communicate (795.04536s) started
T12 << 1462328778.11458302 Communicate (812.98170s) stopped
T12 << 1462328778.11462402 Hamiltonian (3332.30452s) stopped
T12 << 1462328778.11463809 LCAO WFS Initialize (4107.96014s) stopped
T12 << 1462328778.12701893 Initialization (6957.49968s) stopped
T12 >> 1462328778.15389895 SCF-cycle (89257.58624s) started
T12 >> 1462328778.15393901 LCAO eigensolver (44773.59890s) started
T12 >> 1462328778.15395188 Potential matrix (668.90963s) started
T12 << 1462328779.12620401 Potential matrix (669.88188s) stopped
T12 >> 1462328779.12628698 DistributedAtomicCorrection (280.42553s) started
T12 << 1462328779.57557297 DistributedAtomicCorrection (280.87482s) stopped
T12 >> 1462328779.57561994 Distribute overlap matrix (5163.73182s) started
T12 >> 1462328779.57565999 blocked summation (2883.26948s) started
T12 << 1462328784.00212693 blocked summation (2887.69595s) stopped
T12 >> 1462328784.01186395 Scalapack redistribute (2273.71031s) started
T12 << 1462328787.76440501 Scalapack redistribute (2277.46285s) stopped
T12 << 1462328787.76451993 Distribute overlap matrix (5171.92072s) stopped
T12 >> 1462328787.76866293 Blacs Orbital Layouts (37439.85214s) started
T12 >> 1462328787.77721596 General diagonalize (37290.19833s) started
T12 << 1462328843.24104595 General diagonalize (37345.66216s) stopped
T12 >> 1462328843.24110103 Redistribute coefs (5.69573s) started
T12 << 1462328843.24983501 Redistribute coefs (5.70446s) stopped
T12 >> 1462328843.24988294 Send coefs to domains (137.66796s) started
T12 << 1462328843.35307789 Send coefs to domains (137.77115s) stopped
T12 << 1462328843.35347295 Blacs Orbital Layouts (37495.43695s) stopped
T12 >> 1462328843.35350490 Calculate projections (1217.29560s) started
T12 << 1462328845.13209391 Calculate projections (1219.07419s) stopped
T12 << 1462328845.13230896 LCAO eigensolver (44840.57727s) stopped
T12 >> 1462328848.19040608 Density (10554.64972s) started
T12 >> 1462328848.19042206 Pseudo density (8143.19893s) started
T12 >> 1462328848.19275308 Calculate density matrix (7647.00567s) started
T12 << 1462328860.06749701 Calculate density matrix (7658.88041s) stopped
T12 >> 1462328860.06755304 Construct density (483.24308s) started
T12 << 1462328860.85026193 Construct density (484.02579s) stopped
T12 >> 1462328860.86423397 Symmetrize density (0.05461s) started
T12 << 1462328860.86431408 Symmetrize density (0.05469s) stopped
T12 << 1462328860.86626005 Pseudo density (8155.87477s) stopped
T12 >> 1462328860.86632705 Atomic density matrices (2128.18320s) started
T12 << 1462328864.29679489 Atomic density matrices (2131.61367s) stopped
T12 >> 1462328864.29683399 Multipole moments (7.83808s) started
T12 << 1462328864.31210899 Multipole moments (7.85336s) stopped
T12 >> 1462328864.31213307 Normalize (4.34742s) started
T12 << 1462328864.31832695 Normalize (4.35361s) stopped
T12 >> 1462328864.31845498 Mix (271.03145s) started
T12 << 1462328864.64179111 Mix (271.35478s) stopped
T12 << 1462328864.64188004 Density (10571.10119s) stopped
T12 >> 1462328864.64191604 Hamiltonian (31735.60714s) started
T12 >> 1462328864.64193392 vbar (17.15889s) started
T12 << 1462328864.66780806 vbar (17.18477s) stopped
T12 >> 1462328864.66793799 XC 3D grid (18139.14759s) started
T12 >> 1462328865.20234299 van der Waals (17519.88729s) started
T12 >> 1462328865.31351805 semilocal (3701.08120s) started
T12 << 1462328871.02597904 semilocal (3706.79366s) stopped
T12 >> 1462328871.10567188 redistribute (1882.68598s) started
T12 << 1462328872.20373201 redistribute (1883.78404s) stopped
T12 >> 1462328872.20378208 libvdwxc nonlocal (11813.92093s) started
T12 << 1462328890.86984110 libvdwxc nonlocal (11832.58699s) stopped
T12 >> 1462328890.86992598 redistribute (1883.78408s) started
T12 << 1462328892.97315598 redistribute (1885.88731s) stopped
T12 << 1462328892.97441196 van der Waals (17547.65936s) stopped
T12 << 1462328893.44047403 XC 3D grid (18167.92012s) stopped
T12 >> 1462328893.44052196 Poisson (3796.66938s) started
T12 << 1462328899.32347989 Poisson (3802.55233s) stopped
T12 >> 1462328899.32360697 Hartree integrate/restrict (238.81198s) started
T12 << 1462328899.36112094 Hartree integrate/restrict (238.84949s) stopped
T12 >> 1462328899.36122203 Hartree integrate/restrict (238.84956s) started
T12 << 1462328899.71284795 Hartree integrate/restrict (239.20118s) stopped
T12 >> 1462328899.71307397 Atomic (1533.23177s) started
T12 >> 1462328899.71651506 XC Correction (0.02123s) started
T12 << 1462328899.71655703 XC Correction (0.02127s) stopped
T12 << 1462328902.08708906 Atomic (1535.60579s) stopped
T12 >> 1462328902.08729005 Communicate (8010.33551s) started
T12 << 1462328920.05914903 Communicate (8028.30737s) stopped
T12 << 1462328920.05917597 Hamiltonian (31791.02440s) stopped
T12 >> 1462328920.05919790 LCAO eigensolver (44840.57729s) started
T12 >> 1462328920.05921102 Potential matrix (669.88193s) started
T12 << 1462328921.02253103 Potential matrix (670.84525s) stopped
T12 >> 1462328921.02261209 DistributedAtomicCorrection (280.87486s) started
T12 << 1462328921.47453809 DistributedAtomicCorrection (281.32678s) stopped
T12 >> 1462328921.47458696 Distribute overlap matrix (5171.92074s) started
T12 >> 1462328921.47462010 blocked summation (2887.69598s) started
T12 << 1462328925.96009302 blocked summation (2892.18146s) stopped
T12 >> 1462328925.96924996 Scalapack redistribute (2277.46292s) started
T12 << 1462328929.68372297 Scalapack redistribute (2281.17739s) stopped
T12 << 1462328929.68385792 Distribute overlap matrix (5180.13001s) stopped
T12 >> 1462328929.68778491 Blacs Orbital Layouts (37495.43697s) started
T12 >> 1462328929.69635606 General diagonalize (37345.66220s) started
T12 << 1462328985.44480896 General diagonalize (37401.41066s) stopped
T12 >> 1462328985.44486690 Redistribute coefs (5.70450s) started
T12 << 1462328985.45365596 Redistribute coefs (5.71329s) stopped
T12 >> 1462328985.45370293 Send coefs to domains (137.77119s) started
T12 << 1462328985.54983091 Send coefs to domains (137.86732s) stopped
T12 << 1462328985.55020189 Blacs Orbital Layouts (37551.29939s) stopped
T12 >> 1462328985.55023193 Calculate projections (1219.07424s) started
T12 << 1462328987.32814908 Calculate projections (1220.85216s) stopped
T12 << 1462328987.32836294 LCAO eigensolver (44907.84645s) stopped
T12 >> 1462328990.39035892 Density (10571.10121s) started
T12 >> 1462328990.39037490 Pseudo density (8155.87482s) started
T12 >> 1462328990.39268208 Calculate density matrix (7658.88045s) started
T12 << 1462329002.22600102 Calculate density matrix (7670.71377s) stopped
T12 >> 1462329002.22605801 Construct density (484.02585s) started
T12 << 1462329003.00882912 Construct density (484.80862s) stopped
T12 >> 1462329003.02302790 Symmetrize density (0.05471s) started
T12 << 1462329003.02310491 Symmetrize density (0.05479s) stopped
T12 << 1462329003.02508402 Pseudo density (8168.50953s) stopped
T12 >> 1462329003.02515197 Atomic density matrices (2131.61370s) started
T12 << 1462329006.52640104 Atomic density matrices (2135.11495s) stopped
T12 >> 1462329006.52643800 Multipole moments (7.85338s) started
T12 << 1462329006.54157901 Multipole moments (7.86852s) stopped
T12 >> 1462329006.54160309 Normalize (4.35371s) started
T12 << 1462329006.54771304 Normalize (4.35982s) stopped
T12 >> 1462329006.54782200 Mix (271.35487s) started
T12 << 1462329006.91605806 Mix (271.72311s) stopped
T12 << 1462329006.91613793 Density (10587.62699s) stopped
T12 >> 1462329006.91617393 Hamiltonian (31791.02441s) started
T12 >> 1462329006.91618991 vbar (17.18484s) started
T12 << 1462329006.94250202 vbar (17.21115s) stopped
T12 >> 1462329006.94262791 XC 3D grid (18167.92016s) started
T12 >> 1462329007.45525503 van der Waals (17547.65938s) started
T12 >> 1462329007.56809711 semilocal (3706.79378s) started
T12 << 1462329013.26991606 semilocal (3712.49560s) stopped
T12 >> 1462329013.35187006 redistribute (1885.88738s) started
T12 << 1462329014.44568896 redistribute (1886.98119s) stopped
T12 >> 1462329014.44576907 libvdwxc nonlocal (11832.58705s) started
T12 << 1462329032.64531207 libvdwxc nonlocal (11850.78659s) stopped
T12 >> 1462329032.64539409 redistribute (1886.98126s) started
T12 << 1462329034.68259811 redistribute (1889.01847s) stopped
T12 << 1462329034.68386889 van der Waals (17574.88800s) stopped
T12 << 1462329035.15203309 XC 3D grid (18196.12957s) stopped
T12 >> 1462329035.15209889 Poisson (3802.55243s) started
T12 << 1462329051.10023689 Poisson (3818.50057s) stopped
T12 >> 1462329051.10031009 Hartree integrate/restrict (239.20129s) started
T12 << 1462329051.14285111 Hartree integrate/restrict (239.24383s) stopped
T12 >> 1462329051.14295912 Hartree integrate/restrict (239.24390s) started
T12 << 1462329051.46441698 Hartree integrate/restrict (239.56536s) stopped
T12 >> 1462329051.46452808 Atomic (1535.60581s) started
T12 >> 1462329051.46641994 XC Correction (0.02129s) started
T12 << 1462329051.46643496 XC Correction (0.02130s) stopped
T12 << 1462329053.83859992 Atomic (1537.97989s) stopped
T12 >> 1462329053.83879900 Communicate (8028.30739s) started
T12 << 1462329071.74192095 Communicate (8046.21051s) stopped
T12 << 1462329071.74196410 Hamiltonian (31855.85020s) stopped
T12 >> 1462329071.74199104 LCAO eigensolver (44907.84647s) started
T12 >> 1462329071.74200392 Potential matrix (670.84530s) started
T12 << 1462329072.72778296 Potential matrix (671.83108s) stopped
T12 >> 1462329072.72786903 DistributedAtomicCorrection (281.32682s) started
T12 << 1462329073.18311095 DistributedAtomicCorrection (281.78207s) stopped
T12 >> 1462329073.18316007 Distribute overlap matrix (5180.13002s) started
T12 >> 1462329073.18319702 blocked summation (2892.18149s) started
T12 << 1462329077.65968895 blocked summation (2896.65798s) stopped
T12 >> 1462329077.66900396 Scalapack redistribute (2281.17747s) started
T12 << 1462329081.33954692 Scalapack redistribute (2284.84801s) stopped
T12 << 1462329081.33965898 Distribute overlap matrix (5188.28652s) stopped
T12 >> 1462329081.34457803 Blacs Orbital Layouts (37551.29941s) started
T12 >> 1462329081.35336900 General diagonalize (37401.41070s) started
T12 << 1462329134.02484703 General diagonalize (37454.08218s) stopped
T12 >> 1462329134.02489901 Redistribute coefs (5.71332s) started
T12 << 1462329134.03359795 Redistribute coefs (5.72202s) stopped
T12 >> 1462329134.03365207 Send coefs to domains (137.86736s) started
T12 << 1462329134.21272492 Send coefs to domains (138.04643s) stopped
T12 << 1462329134.21312809 Blacs Orbital Layouts (37604.16796s) stopped
T12 >> 1462329134.21315908 Calculate projections (1220.85221s) started
T12 << 1462329135.99182200 Calculate projections (1222.63088s) stopped
T12 << 1462329135.99204493 LCAO eigensolver (44972.09653s) stopped
T12 >> 1462329139.07365394 Density (10587.62700s) started
T12 >> 1462329139.07366991 Pseudo density (8168.50958s) started
T12 >> 1462329139.07581496 Calculate density matrix (7670.71382s) started
T12 << 1462329150.92009497 Calculate density matrix (7682.55810s) stopped
T12 >> 1462329150.92015100 Construct density (484.80868s) started
T12 << 1462329151.70203090 Construct density (485.59056s) stopped
T12 >> 1462329151.71610689 Symmetrize density (0.05481s) started
T12 << 1462329151.71618295 Symmetrize density (0.05488s) stopped
T12 << 1462329151.71815109 Pseudo density (8181.15407s) stopped
T12 >> 1462329151.71822190 Atomic density matrices (2135.11498s) started
T12 << 1462329155.22297907 Atomic density matrices (2138.61974s) stopped
T12 >> 1462329155.22301507 Multipole moments (7.86853s) started
T12 << 1462329155.23828506 Multipole moments (7.88380s) stopped
T12 >> 1462329155.23831892 Normalize (4.35991s) started
T12 << 1462329155.24442101 Normalize (4.36601s) stopped
T12 >> 1462329155.24453712 Mix (271.72319s) started
T12 << 1462329155.67146301 Mix (272.15011s) stopped
T12 << 1462329155.67152905 Density (10604.22488s) stopped
T12 >> 1462329155.67155910 Hamiltonian (31855.85021s) started
T12 >> 1462329155.67157507 vbar (17.21123s) started
T12 << 1462329155.69689012 vbar (17.23654s) stopped
T12 >> 1462329155.69702792 XC 3D grid (18196.12962s) started
T12 >> 1462329156.25506806 van der Waals (17574.88802s) started
T12 >> 1462329156.36695504 semilocal (3712.49572s) started
T12 << 1462329162.16625309 semilocal (3718.29502s) stopped
T12 >> 1462329162.24256206 redistribute (1889.01853s) started
T12 << 1462329163.24260211 redistribute (1890.01857s) stopped
T12 >> 1462329163.24265289 libvdwxc nonlocal (11850.78666s) started
T12 << 1462329181.30237293 libvdwxc nonlocal (11868.84638s) stopped
T12 >> 1462329181.30245090 redistribute (1890.01861s) started
T12 << 1462329183.28290105 redistribute (1891.99906s) stopped
T12 << 1462329183.28376603 van der Waals (17601.91672s) stopped
T12 << 1462329183.74986792 XC 3D grid (18224.18246s) stopped
T12 >> 1462329183.74992394 Poisson (3818.50062s) started
T12 << 1462329190.96733499 Poisson (3825.71803s) stopped
T12 >> 1462329190.96746302 Hartree integrate/restrict (239.56542s) started
T12 << 1462329191.00696111 Hartree integrate/restrict (239.60492s) stopped
T12 >> 1462329191.00705600 Hartree integrate/restrict (239.60498s) started
T12 << 1462329191.36108088 Hartree integrate/restrict (239.95900s) stopped
T12 >> 1462329191.36117005 Atomic (1537.97991s) started
T12 >> 1462329191.36310291 XC Correction (0.02132s) started
T12 << 1462329191.36312294 XC Correction (0.02134s) stopped
T12 << 1462329193.72060609 Atomic (1540.33935s) stopped
T12 >> 1462329193.72080994 Communicate (8046.21054s) started
T12 << 1462329211.67196393 Communicate (8064.16169s) stopped
T12 << 1462329211.67200804 Hamiltonian (31911.85066s) stopped
T12 >> 1462329211.67203498 LCAO eigensolver (44972.09655s) started
T12 >> 1462329211.67204809 Potential matrix (671.83112s) started
T12 << 1462329212.65701008 Potential matrix (672.81608s) stopped
T12 >> 1462329212.65709209 DistributedAtomicCorrection (281.78211s) started
T12 << 1462329213.11003494 DistributedAtomicCorrection (282.23505s) stopped
T12 >> 1462329213.11008310 Distribute overlap matrix (5188.28653s) started
T12 >> 1462329213.11011410 blocked summation (2896.65802s) started
T12 << 1462329217.63156104 blocked summation (2901.17947s) stopped
T12 >> 1462329217.64222503 Scalapack redistribute (2284.84808s) started
T12 << 1462329221.22353292 Scalapack redistribute (2288.42938s) stopped
T12 << 1462329221.22365093 Distribute overlap matrix (5196.40010s) stopped
T12 >> 1462329221.22788095 Blacs Orbital Layouts (37604.16798s) started
T12 >> 1462329221.23662305 General diagonalize (37454.08223s) started
T12 << 1462329274.25213695 General diagonalize (37507.09774s) stopped
T12 >> 1462329274.25218201 Redistribute coefs (5.72206s) started
T12 << 1462329274.26072598 Redistribute coefs (5.73061s) stopped
T12 >> 1462329274.26076603 Send coefs to domains (138.04647s) started
T12 << 1462329274.35925102 Send coefs to domains (138.14496s) stopped
T12 << 1462329274.35979009 Blacs Orbital Layouts (37657.29989s) stopped
T12 >> 1462329274.35982203 Calculate projections (1222.63094s) started
T12 << 1462329276.12826610 Calculate projections (1224.39938s) stopped
T12 << 1462329276.12874198 LCAO eigensolver (45036.55325s) stopped
T12 >> 1462329279.22314191 Density (10604.22489s) started
T12 >> 1462329279.22315693 Pseudo density (8181.15412s) started
T12 >> 1462329279.22551298 Calculate density matrix (7682.55813s) started
T12 << 1462329291.07517099 Calculate density matrix (7694.40779s) stopped
T12 >> 1462329291.07521892 Construct density (485.59062s) started
T12 << 1462329291.85746503 Construct density (486.37286s) stopped
T12 >> 1462329291.87369990 Symmetrize density (0.05490s) started
T12 << 1462329291.87376809 Symmetrize density (0.05497s) stopped
T12 << 1462329291.87620807 Pseudo density (8193.80717s) stopped
T12 >> 1462329291.87626410 Atomic density matrices (2138.61976s) started
T12 << 1462329295.25733209 Atomic density matrices (2142.00083s) stopped
T12 >> 1462329295.25736308 Multipole moments (7.88382s) started
T12 << 1462329295.27202201 Multipole moments (7.89848s) stopped
T12 >> 1462329295.27205491 Normalize (4.36610s) started
T12 << 1462329295.27980304 Normalize (4.37385s) stopped
T12 >> 1462329295.27985907 Mix (272.15018s) started
T12 << 1462329295.71706700 Mix (272.58738s) stopped
T12 << 1462329295.71710896 Density (10620.71886s) stopped
T12 >> 1462329295.71713209 Hamiltonian (31911.85067s) started
T12 >> 1462329295.71714592 vbar (17.23662s) started
T12 << 1462329295.74058795 vbar (17.26006s) stopped
T12 >> 1462329295.74069405 XC 3D grid (18224.18250s) started
T12 >> 1462329296.28469896 van der Waals (17601.91675s) started
T12 >> 1462329296.38933802 semilocal (3718.29512s) started
T12 << 1462329302.20190001 semilocal (3724.10768s) stopped
T12 >> 1462329302.27880502 redistribute (1891.99911s) started
T12 << 1462329303.24505305 redistribute (1892.96536s) stopped
T12 >> 1462329303.24512196 libvdwxc nonlocal (11868.84644s) started
T12 << 1462329321.79511499 libvdwxc nonlocal (11887.39643s) stopped
T12 >> 1462329321.79518008 redistribute (1892.96542s) started
T12 << 1462329323.50469208 redistribute (1894.67493s) stopped
T12 << 1462329323.50567102 van der Waals (17629.13772s) stopped
T12 << 1462329323.97281194 XC 3D grid (18252.41462s) stopped
T12 >> 1462329323.97285390 Poisson (3825.71812s) started
T12 << 1462329332.59883094 Poisson (3834.34410s) stopped
T12 >> 1462329332.59889603 Hartree integrate/restrict (239.95904s) started
T12 << 1462329332.64752603 Hartree integrate/restrict (240.00767s) stopped
T12 >> 1462329332.64758110 Hartree integrate/restrict (240.00770s) started
T12 << 1462329332.98994303 Hartree integrate/restrict (240.35007s) stopped
T12 >> 1462329332.99012089 Atomic (1540.33938s) started
T12 >> 1462329332.99234295 XC Correction (0.02135s) started
T12 << 1462329332.99236298 XC Correction (0.02137s) stopped
T12 << 1462329335.34850311 Atomic (1542.69776s) stopped
T12 >> 1462329335.34867811 Communicate (8064.16172s) started
T12 << 1462329352.94418502 Communicate (8081.75723s) stopped
T12 << 1462329352.94422293 Hamiltonian (31969.07776s) stopped
T12 >> 1462329352.94424891 LCAO eigensolver (45036.55327s) started
T12 >> 1462329352.94426203 Potential matrix (672.81613s) started
T12 << 1462329353.91485906 Potential matrix (673.78673s) stopped
T12 >> 1462329353.91493011 DistributedAtomicCorrection (282.23509s) started
T12 << 1462329354.37811399 DistributedAtomicCorrection (282.69827s) stopped
T12 >> 1462329354.37818003 Distribute overlap matrix (5196.40011s) started
T12 >> 1462329354.37820196 blocked summation (2901.17951s) started
T12 << 1462329358.93094897 blocked summation (2905.73225s) stopped
T12 >> 1462329358.94054103 Scalapack redistribute (2288.42946s) started
T12 << 1462329362.58289099 Scalapack redistribute (2292.07181s) stopped
T12 << 1462329362.58298993 Distribute overlap matrix (5204.60492s) stopped
T12 >> 1462329362.58815289 Blacs Orbital Layouts (37657.29991s) started
T12 >> 1462329362.59698391 General diagonalize (37507.09778s) started
T12 << 1462329415.77072406 General diagonalize (37560.27152s) stopped
T12 >> 1462329415.77076888 Redistribute coefs (5.73064s) started
T12 << 1462329415.77919006 Redistribute coefs (5.73906s) stopped
T12 >> 1462329415.77925611 Send coefs to domains (138.14499s) started
T12 << 1462329415.97836995 Send coefs to domains (138.34410s) stopped
T12 << 1462329415.97875690 Blacs Orbital Layouts (37710.69052s) stopped
T12 >> 1462329415.97878599 Calculate projections (1224.39943s) started
T12 << 1462329417.74783802 Calculate projections (1226.16849s) stopped
T12 << 1462329417.74819803 LCAO eigensolver (45101.35722s) stopped
T12 >> 1462329420.84879708 Density (10620.71887s) started
T12 >> 1462329420.84881210 Pseudo density (8193.80722s) started
T12 >> 1462329420.85194898 Calculate density matrix (7694.40782s) started
T12 << 1462329432.78987288 Calculate density matrix (7706.34575s) stopped
T12 >> 1462329432.78992200 Construct density (486.37291s) started
T12 << 1462329433.57322407 Construct density (487.15622s) stopped
T12 >> 1462329433.59022999 Symmetrize density (0.05499s) started
T12 << 1462329433.59029603 Symmetrize density (0.05505s) stopped
T12 << 1462329433.59270191 Pseudo density (8206.55111s) stopped
T12 >> 1462329433.59275794 Atomic density matrices (2142.00086s) started
T12 << 1462329437.01821899 Atomic density matrices (2145.42632s) stopped
T12 >> 1462329437.01825309 Multipole moments (7.89850s) started
T12 << 1462329437.03324103 Multipole moments (7.91349s) stopped
T12 >> 1462329437.03327107 Normalize (4.37389s) started
T12 << 1462329437.04101992 Normalize (4.38164s) stopped
T12 >> 1462329437.04106593 Mix (272.58743s) started
T12 << 1462329437.48661089 Mix (273.03297s) stopped
T12 << 1462329437.48666310 Density (10637.35674s) stopped
T12 >> 1462329437.48668909 Hamiltonian (31969.07778s) started
T12 >> 1462329437.48670292 vbar (17.26013s) started
T12 << 1462329437.50839305 vbar (17.28182s) stopped
T12 >> 1462329437.50848389 XC 3D grid (18252.41465s) started
T12 >> 1462329438.08029294 van der Waals (17629.13774s) started
T12 >> 1462329438.19352794 semilocal (3724.10773s) started
T12 << 1462329443.94503188 semilocal (3729.85923s) stopped
T12 >> 1462329444.02149200 redistribute (1894.67498s) started
T12 << 1462329445.04842591 redistribute (1895.70192s) stopped
T12 >> 1462329445.04850411 libvdwxc nonlocal (11887.39648s) started
T12 << 1462329463.36481309 libvdwxc nonlocal (11905.71279s) stopped
T12 >> 1462329463.36487699 redistribute (1895.70197s) started
T12 << 1462329465.09227204 redistribute (1897.42937s) stopped
T12 << 1462329465.09337902 van der Waals (17656.15083s) stopped
T12 << 1462329465.55925107 XC 3D grid (18280.46542s) stopped
T12 >> 1462329465.55929303 Poisson (3834.34415s) started
T12 << 1462329474.12884092 Poisson (3842.91370s) stopped
T12 >> 1462329474.12891507 Hartree integrate/restrict (240.35015s) started
T12 << 1462329474.17205596 Hartree integrate/restrict (240.39329s) stopped
T12 >> 1462329474.17214704 Hartree integrate/restrict (240.39336s) started
T12 << 1462329474.49322510 Hartree integrate/restrict (240.71444s) stopped
T12 >> 1462329474.49333310 Atomic (1542.69778s) started
T12 >> 1462329474.49536800 XC Correction (0.02138s) started
T12 << 1462329474.49538207 XC Correction (0.02139s) stopped
T12 << 1462329476.89446402 Atomic (1545.09891s) stopped
T12 >> 1462329476.89465809 Communicate (8081.75725s) started
T12 << 1462329493.54298806 Communicate (8098.40558s) stopped
T12 << 1462329493.54303098 Hamiltonian (32025.13412s) stopped
T12 >> 1462329493.54305696 LCAO eigensolver (45101.35724s) started
T12 >> 1462329493.54307103 Potential matrix (673.78677s) started
T12 << 1462329494.52590609 Potential matrix (674.76960s) stopped
T12 >> 1462329494.52600193 DistributedAtomicCorrection (282.69831s) started
T12 << 1462329494.97070098 DistributedAtomicCorrection (283.14301s) stopped
T12 >> 1462329494.97076106 Distribute overlap matrix (5204.60494s) started
T12 >> 1462329494.97078490 blocked summation (2905.73231s) started
T12 << 1462329499.44303608 blocked summation (2910.20456s) stopped
T12 >> 1462329499.45275903 Scalapack redistribute (2292.07187s) started
T12 << 1462329503.11609912 Scalapack redistribute (2295.73521s) stopped
T12 << 1462329503.11619997 Distribute overlap matrix (5212.75038s) stopped
T12 >> 1462329503.12133694 Blacs Orbital Layouts (37710.69054s) started
T12 >> 1462329503.13006496 General diagonalize (37560.27155s) started
T12 << 1462329558.10909390 General diagonalize (37615.25058s) stopped
T12 >> 1462329558.10914111 Redistribute coefs (5.73911s) started
T12 << 1462329558.11731696 Redistribute coefs (5.74729s) stopped
T12 >> 1462329558.11735702 Send coefs to domains (138.34413s) started
T12 << 1462329558.21881509 Send coefs to domains (138.44559s) stopped
T12 << 1462329558.21930408 Blacs Orbital Layouts (37765.78851s) stopped
T12 >> 1462329558.21933699 Calculate projections (1226.16853s) started
T12 << 1462329559.98691201 Calculate projections (1227.93611s) stopped
T12 << 1462329559.98740005 LCAO eigensolver (45167.80158s) stopped
T12 >> 1462329563.07842588 Density (10637.35675s) started
T12 >> 1462329563.07844090 Pseudo density (8206.55115s) started
T12 >> 1462329563.08233404 Calculate density matrix (7706.34578s) started
T12 << 1462329574.99022603 Calculate density matrix (7718.25367s) stopped
T12 >> 1462329574.99027491 Construct density (487.15627s) started
T12 << 1462329575.77389598 Construct density (487.93989s) stopped
T12 >> 1462329575.79077697 Symmetrize density (0.05507s) started
T12 << 1462329575.79083705 Symmetrize density (0.05513s) stopped
T12 << 1462329575.79325199 Pseudo density (8219.26596s) stopped
T12 >> 1462329575.79330707 Atomic density matrices (2145.42634s) started
T12 << 1462329579.27245903 Atomic density matrices (2148.90550s) stopped
T12 >> 1462329579.27249193 Multipole moments (7.91350s) started
T12 << 1462329579.28774095 Multipole moments (7.92875s) stopped
T12 >> 1462329579.28777194 Normalize (4.38167s) started
T12 << 1462329579.29694009 Normalize (4.39084s) stopped
T12 >> 1462329579.29699707 Mix (273.03302s) started
T12 << 1462329579.76975608 Mix (273.50578s) stopped
T12 << 1462329579.76981401 Density (10654.04814s) stopped
T12 >> 1462329579.76984096 Hamiltonian (32025.13413s) started
T12 >> 1462329579.76985598 vbar (17.28187s) started
T12 << 1462329579.80232811 vbar (17.31434s) stopped
T12 >> 1462329579.80256796 XC 3D grid (18280.46546s) started
T12 >> 1462329580.29534292 van der Waals (17656.15086s) started
T12 >> 1462329580.40731502 semilocal (3729.85929s) started
T12 << 1462329586.11099911 semilocal (3735.56297s) stopped
T12 >> 1462329586.19517708 redistribute (1897.42942s) started
T12 << 1462329587.29314590 redistribute (1898.52739s) stopped
T12 >> 1462329587.29319096 libvdwxc nonlocal (11905.71284s) started
T12 << 1462329605.95652795 libvdwxc nonlocal (11924.37617s) stopped
T12 >> 1462329605.95659304 redistribute (1898.52743s) started
T12 << 1462329607.67943811 redistribute (1900.25027s) stopped
T12 << 1462329607.68057704 van der Waals (17683.53609s) stopped
T12 << 1462329608.14681292 XC 3D grid (18308.80970s) stopped
T12 >> 1462329608.14686394 Poisson (3842.91375s) started
T12 << 1462329615.41704512 Poisson (3850.18393s) stopped
T12 >> 1462329615.41712403 Hartree integrate/restrict (240.71449s) started
T12 << 1462329615.46221900 Hartree integrate/restrict (240.75959s) stopped
T12 >> 1462329615.46230507 Hartree integrate/restrict (240.75965s) started
T12 << 1462329615.80684304 Hartree integrate/restrict (241.10418s) stopped
T12 >> 1462329615.80694509 Atomic (1545.09894s) started
T12 >> 1462329615.80880404 XC Correction (0.02141s) started
T12 << 1462329615.80882192 XC Correction (0.02142s) stopped
T12 << 1462329618.19971609 Atomic (1547.49171s) stopped
T12 >> 1462329618.19988394 Communicate (8098.40561s) started
T12 << 1462329634.89017606 Communicate (8115.09590s) stopped
T12 << 1462329634.89021206 Hamiltonian (32080.25450s) stopped
T12 >> 1462329634.89023590 LCAO eigensolver (45167.80160s) started
T12 >> 1462329634.89024997 Potential matrix (674.76965s) started
T12 << 1462329635.86787891 Potential matrix (675.74728s) stopped
T12 >> 1462329635.86794901 DistributedAtomicCorrection (283.14305s) started
T12 << 1462329636.31495190 DistributedAtomicCorrection (283.59005s) stopped
T12 >> 1462329636.31501102 Distribute overlap matrix (5212.75039s) started
T12 >> 1462329636.31503296 blocked summation (2910.20461s) started
T12 << 1462329640.88258505 blocked summation (2914.77217s) stopped
T12 >> 1462329640.89206791 Scalapack redistribute (2295.73527s) started
T12 << 1462329644.45339203 Scalapack redistribute (2299.29659s) stopped
T12 << 1462329644.45349097 Distribute overlap matrix (5220.88887s) stopped
T12 >> 1462329644.45792794 Blacs Orbital Layouts (37765.78853s) started
T12 >> 1462329644.46640301 General diagonalize (37615.25062s) started
T12 << 1462329698.58205104 General diagonalize (37669.36627s) stopped
T12 >> 1462329698.58214211 Redistribute coefs (5.74732s) started
T12 << 1462329698.59173989 Redistribute coefs (5.75692s) stopped
T12 >> 1462329698.59178805 Send coefs to domains (138.44562s) started
T12 << 1462329698.96689892 Send coefs to domains (138.82074s) stopped
T12 << 1462329698.96736908 Blacs Orbital Layouts (37820.29797s) stopped
T12 >> 1462329698.96740007 Calculate projections (1227.93616s) started
T12 << 1462329700.74654889 Calculate projections (1229.71530s) stopped
T12 << 1462329700.74678707 LCAO eigensolver (45233.65815s) stopped
T12 >> 1462329703.83599901 Density (10654.04816s) started
T12 >> 1462329703.83601594 Pseudo density (8219.26601s) started
T12 >> 1462329703.83814597 Calculate density matrix (7718.25371s) started
T12 << 1462329715.64025688 Calculate density matrix (7730.05582s) stopped
T12 >> 1462329715.64031506 Construct density (487.93994s) started
T12 << 1462329716.42268491 Construct density (488.72231s) stopped
T12 >> 1462329716.43670201 Symmetrize density (0.05515s) started
T12 << 1462329716.43676996 Symmetrize density (0.05521s) stopped
T12 << 1462329716.43888903 Pseudo density (8231.86888s) stopped
T12 >> 1462329716.43895793 Atomic density matrices (2148.90552s) started
T12 << 1462329719.87842488 Atomic density matrices (2152.34499s) stopped
T12 >> 1462329719.87846303 Multipole moments (7.92877s) started
T12 << 1462329719.89368892 Multipole moments (7.94399s) stopped
T12 >> 1462329719.89372206 Normalize (4.39088s) started
T12 << 1462329719.89983201 Normalize (4.39699s) stopped
T12 >> 1462329719.89991999 Mix (273.50584s) started
T12 << 1462329720.33146405 Mix (273.93738s) stopped
T12 << 1462329720.33157706 Density (10670.54373s) stopped
T12 >> 1462329720.33161998 Hamiltonian (32080.25452s) started
T12 >> 1462329720.33164001 vbar (17.31447s) started
T12 << 1462329720.36834311 vbar (17.35118s) stopped
T12 >> 1462329720.36849904 XC 3D grid (18308.80974s) started
T12 >> 1462329720.88637900 van der Waals (17683.53612s) started
T12 >> 1462329720.99841809 semilocal (3735.56309s) started
T12 << 1462329726.75151610 semilocal (3741.31618s) stopped
T12 >> 1462329726.83118105 redistribute (1900.25033s) started
T12 << 1462329727.87665105 redistribute (1901.29580s) stopped
T12 >> 1462329727.87670112 libvdwxc nonlocal (11924.37622s) started
T12 << 1462329746.24287391 libvdwxc nonlocal (11942.74240s) stopped
T12 >> 1462329746.24295497 redistribute (1901.29584s) started
T12 << 1462329748.31199908 redistribute (1903.36488s) stopped
T12 << 1462329748.31322289 van der Waals (17710.96296s) stopped
T12 << 1462329748.78438210 XC 3D grid (18337.22562s) stopped
T12 >> 1462329748.78442907 Poisson (3850.18399s) started
T12 << 1462329753.27117705 Poisson (3854.67074s) stopped
T12 >> 1462329753.27130795 Hartree integrate/restrict (241.10424s) started
T12 << 1462329753.31060195 Hartree integrate/restrict (241.14353s) stopped
T12 >> 1462329753.31069708 Hartree integrate/restrict (241.14359s) started
T12 << 1462329753.66628504 Hartree integrate/restrict (241.49918s) stopped
T12 >> 1462329753.66642690 Atomic (1547.49173s) started
T12 >> 1462329753.66975498 XC Correction (0.02144s) started
T12 << 1462329753.66980290 XC Correction (0.02149s) stopped
T12 << 1462329756.05473590 Atomic (1549.88004s) stopped
T12 >> 1462329756.05492401 Communicate (8115.09593s) started
T12 << 1462329772.68396997 Communicate (8131.72497s) stopped
T12 << 1462329772.68400598 Hamiltonian (32132.60690s) stopped
T12 >> 1462329772.68403101 LCAO eigensolver (45233.65817s) started
T12 >> 1462329772.68404508 Potential matrix (675.74733s) started
T12 << 1462329773.65458012 Potential matrix (676.71786s) stopped
T12 >> 1462329773.65466094 DistributedAtomicCorrection (283.59009s) started
T12 << 1462329774.11180902 DistributedAtomicCorrection (284.04724s) stopped
T12 >> 1462329774.11187601 Distribute overlap matrix (5220.88888s) started
T12 >> 1462329774.11190009 blocked summation (2914.77220s) started
T12 << 1462329778.61666012 blocked summation (2919.27696s) stopped
T12 >> 1462329778.62613702 Scalapack redistribute (2299.29666s) started
T12 << 1462329782.23978496 Scalapack redistribute (2302.91031s) stopped
T12 << 1462329782.23986411 Distribute overlap matrix (5229.01687s) stopped
T12 >> 1462329782.24526691 Blacs Orbital Layouts (37820.29799s) started
T12 >> 1462329782.25425005 General diagonalize (37669.36634s) started
T12 << 1462329837.53302693 General diagonalize (37724.64512s) stopped
T12 >> 1462329837.53312993 Redistribute coefs (5.75695s) started
T12 << 1462329837.54217601 Redistribute coefs (5.76600s) stopped
T12 >> 1462329837.54222488 Send coefs to domains (138.82078s) started
T12 << 1462329837.82052803 Send coefs to domains (139.09908s) stopped
T12 << 1462329837.82093501 Blacs Orbital Layouts (37875.87366s) stopped
T12 >> 1462329837.82097197 Calculate projections (1229.71536s) started
T12 << 1462329839.60055709 Calculate projections (1231.49494s) stopped
T12 << 1462329839.60075998 LCAO eigensolver (45300.57490s) stopped
T12 >> 1462329842.68297410 Density (10670.54375s) started
T12 >> 1462329842.68299007 Pseudo density (8231.86893s) started
T12 >> 1462329842.68478203 Calculate density matrix (7730.05587s) started
T12 << 1462329854.68538094 Calculate density matrix (7742.05647s) stopped
T12 >> 1462329854.68543792 Construct density (488.72237s) started
T12 << 1462329855.46733594 Construct density (489.50427s) stopped
T12 >> 1462329855.48155689 Symmetrize density (0.05524s) started
T12 << 1462329855.48162198 Symmetrize density (0.05530s) stopped
T12 << 1462329855.48371410 Pseudo density (8244.66966s) stopped
T12 >> 1462329855.48378110 Atomic density matrices (2152.34502s) started
T12 << 1462329858.95394397 Atomic density matrices (2155.81518s) stopped
T12 >> 1462329858.95398307 Multipole moments (7.94401s) started
T12 << 1462329858.96919489 Multipole moments (7.95922s) stopped
T12 >> 1462329858.96922708 Normalize (4.39706s) started
T12 << 1462329858.97532892 Normalize (4.40316s) stopped
T12 >> 1462329858.97544503 Mix (273.93749s) started
T12 << 1462329859.41651702 Mix (274.37856s) stopped
T12 << 1462329859.41659904 Density (10687.27738s) stopped
T12 >> 1462329859.41663289 Hamiltonian (32132.60692s) started
T12 >> 1462329859.41664910 vbar (17.35126s) started
T12 << 1462329859.44953990 vbar (17.38415s) stopped
T12 >> 1462329859.44962192 XC 3D grid (18337.22566s) started
T12 >> 1462329859.96426511 van der Waals (17710.96299s) started
T12 >> 1462329860.07666707 semilocal (3741.31632s) started
T12 << 1462329865.91500092 semilocal (3747.15466s) stopped
T12 >> 1462329865.99277091 redistribute (1903.36492s) started
T12 << 1462329866.94578099 redistribute (1904.31793s) stopped
T12 >> 1462329866.94584799 libvdwxc nonlocal (11942.74246s) started
T12 << 1462329884.84346390 libvdwxc nonlocal (11960.64007s) stopped
T12 >> 1462329884.84351492 redistribute (1904.31798s) started
T12 << 1462329886.77072096 redistribute (1906.24519s) stopped
T12 << 1462329886.77197099 van der Waals (17737.77070s) stopped
T12 << 1462329887.23818302 XC 3D grid (18365.01422s) stopped
T12 >> 1462329887.23823905 Poisson (3854.67083s) started
T12 << 1462329891.58648610 Poisson (3859.01908s) stopped
T12 >> 1462329891.58657503 Hartree integrate/restrict (241.49925s) started
T12 << 1462329891.62682509 Hartree integrate/restrict (241.53950s) stopped
T12 >> 1462329891.62690210 Hartree integrate/restrict (241.53955s) started
T12 << 1462329891.95537806 Hartree integrate/restrict (241.86802s) stopped
T12 >> 1462329891.95545912 Atomic (1549.88007s) started
T12 >> 1462329891.95734310 XC Correction (0.02150s) started
T12 << 1462329891.95736003 XC Correction (0.02152s) stopped
T12 << 1462329894.34342194 Atomic (1552.26803s) stopped
T12 >> 1462329894.34360099 Communicate (8131.72500s) started
T12 << 1462329910.99326801 Communicate (8148.37466s) stopped
T12 << 1462329910.99329901 Hamiltonian (32184.18358s) stopped
T12 >> 1462329910.99332190 LCAO eigensolver (45300.57492s) started
T12 >> 1462329910.99333501 Potential matrix (676.71791s) started
T12 << 1462329911.96463203 Potential matrix (677.68920s) stopped
T12 >> 1462329911.96472812 DistributedAtomicCorrection (284.04728s) started
T12 << 1462329912.41904497 DistributedAtomicCorrection (284.50159s) stopped
T12 >> 1462329912.41911006 Distribute overlap matrix (5229.01688s) started
T12 >> 1462329912.41913605 blocked summation (2919.27701s) started
T12 << 1462329916.93145704 blocked summation (2923.78934s) stopped
T12 >> 1462329916.94096208 Scalapack redistribute (2302.91035s) started
T12 << 1462329920.52345896 Scalapack redistribute (2306.49284s) stopped
T12 << 1462329920.52355099 Distribute overlap matrix (5237.12132s) stopped
T12 >> 1462329920.52832603 Blacs Orbital Layouts (37875.87368s) started
T12 >> 1462329920.53698492 General diagonalize (37724.64521s) started
T12 << 1462329973.28137398 General diagonalize (37777.38960s) stopped
T12 >> 1462329973.28142595 Redistribute coefs (5.76604s) started
T12 << 1462329973.28997993 Redistribute coefs (5.77459s) stopped
T12 >> 1462329973.29002905 Send coefs to domains (139.09916s) started
T12 << 1462329973.43754411 Send coefs to domains (139.24668s) stopped
T12 << 1462329973.43789601 Blacs Orbital Layouts (37928.78325s) stopped
T12 >> 1462329973.43792701 Calculate projections (1231.49500s) started
T12 << 1462329975.21658897 Calculate projections (1233.27366s) stopped
T12 << 1462329975.21679711 LCAO eigensolver (45364.79839s) stopped
T12 >> 1462329978.30908489 Density (10687.27739s) started
T12 >> 1462329978.30910110 Pseudo density (8244.66971s) started
T12 >> 1462329978.31131101 Calculate density matrix (7742.05651s) started
T12 << 1462329990.14206910 Calculate density matrix (7753.88727s) stopped
T12 >> 1462329990.14212608 Construct density (489.50433s) started
T12 << 1462329990.92369008 Construct density (490.28589s) stopped
T12 >> 1462329990.93724489 Symmetrize density (0.05532s) started
T12 << 1462329990.93731689 Symmetrize density (0.05539s) stopped
T12 << 1462329990.93942094 Pseudo density (8257.30003s) stopped
T12 >> 1462329990.93949103 Atomic density matrices (2155.81521s) started
T12 << 1462329994.39537191 Atomic density matrices (2159.27109s) stopped
T12 >> 1462329994.39541101 Multipole moments (7.95924s) started
T12 << 1462329994.41056108 Multipole moments (7.97439s) stopped
T12 >> 1462329994.41059303 Normalize (4.40325s) started
T12 << 1462329994.41676998 Normalize (4.40943s) stopped
T12 >> 1462329994.41683197 Mix (274.37865s) started
T12 << 1462329994.80658889 Mix (274.76840s) stopped
T12 << 1462329994.80665493 Density (10703.77496s) stopped
T12 >> 1462329994.80668306 Hamiltonian (32184.18359s) started
T12 >> 1462329994.80669808 vbar (17.38420s) started
T12 << 1462329994.82813191 vbar (17.40563s) stopped
T12 >> 1462329994.82823205 XC 3D grid (18365.01426s) started
T12 >> 1462329995.39496589 van der Waals (17737.77073s) started
T12 >> 1462329995.50711989 semilocal (3747.15475s) started
T12 << 1462330001.25014496 semilocal (3752.89777s) stopped
T12 >> 1462330001.33237410 redistribute (1906.24525s) started
T12 << 1462330002.41792607 redistribute (1907.33080s) stopped
T12 >> 1462330002.41797709 libvdwxc nonlocal (11960.64011s) started
T12 << 1462330020.37723303 libvdwxc nonlocal (11978.59937s) stopped
T12 >> 1462330020.37731791 redistribute (1907.33084s) started
T12 << 1462330022.54087591 redistribute (1909.49440s) stopped
T12 << 1462330022.54178309 van der Waals (17764.91754s) stopped
T12 << 1462330023.00646996 XC 3D grid (18393.19250s) stopped
T12 >> 1462330023.00653005 Poisson (3859.01915s) started
T12 << 1462330027.55508709 Poisson (3863.56770s) stopped
T12 >> 1462330027.55517292 Hartree integrate/restrict (241.86806s) started
T12 << 1462330027.59508491 Hartree integrate/restrict (241.90797s) stopped
T12 >> 1462330027.59523106 Hartree integrate/restrict (241.90807s) started
T12 << 1462330027.94021010 Hartree integrate/restrict (242.25305s) stopped
T12 >> 1462330027.94031692 Atomic (1552.26806s) started
T12 >> 1462330027.94256711 XC Correction (0.02153s) started
T12 << 1462330027.94259310 XC Correction (0.02156s) stopped
T12 << 1462330030.33626795 Atomic (1554.66401s) stopped
T12 >> 1462330030.33644295 Communicate (8148.37468s) started
T12 << 1462330047.01987410 Communicate (8165.05812s) stopped
T12 << 1462330047.01990199 Hamiltonian (32236.39681s) stopped
T12 >> 1462330047.01992393 LCAO eigensolver (45364.79841s) started
T12 >> 1462330047.01993704 Potential matrix (677.68926s) started
T12 << 1462330047.98041701 Potential matrix (678.64974s) stopped
T12 >> 1462330047.98051500 DistributedAtomicCorrection (284.50163s) started
T12 << 1462330048.42973804 DistributedAtomicCorrection (284.95086s) stopped
T12 >> 1462330048.42980003 Distribute overlap matrix (5237.12134s) started
T12 >> 1462330048.42982793 blocked summation (2923.78937s) started
T12 << 1462330052.95167899 blocked summation (2928.31123s) stopped
T12 >> 1462330052.96102405 Scalapack redistribute (2306.49289s) started
T12 << 1462330056.58430600 Scalapack redistribute (2310.11618s) stopped
T12 << 1462330056.58440709 Distribute overlap matrix (5245.27595s) stopped
T12 >> 1462330056.58893609 Blacs Orbital Layouts (37928.78327s) started
T12 >> 1462330056.59748602 General diagonalize (37777.38964s) started
T12 << 1462330111.99123311 General diagonalize (37832.78339s) stopped
T12 >> 1462330111.99130702 Redistribute coefs (5.77463s) started
T12 << 1462330112.00017691 Redistribute coefs (5.78350s) stopped
T12 >> 1462330112.00025105 Send coefs to domains (139.24672s) started
T12 << 1462330112.11616802 Send coefs to domains (139.36264s) stopped
T12 << 1462330112.11660910 Blacs Orbital Layouts (37984.31094s) stopped
T12 >> 1462330112.11667109 Calculate projections (1233.27372s) started
T12 << 1462330113.89696407 Calculate projections (1235.05401s) stopped
T12 << 1462330113.89716911 LCAO eigensolver (45431.67566s) stopped
T12 >> 1462330116.96325397 Density (10703.77498s) started
T12 >> 1462330116.96327209 Pseudo density (8257.30009s) started
T12 >> 1462330116.96656895 Calculate density matrix (7753.88731s) started
T12 << 1462330130.12900901 Calculate density matrix (7767.04975s) stopped
T12 >> 1462330130.12906694 Construct density (490.28595s) started
T12 << 1462330130.91173410 Construct density (491.06862s) stopped
T12 >> 1462330130.92587996 Symmetrize density (0.05541s) started
T12 << 1462330130.92594695 Symmetrize density (0.05548s) stopped
T12 << 1462330130.92804909 Pseudo density (8271.26486s) stopped
T12 >> 1462330130.92811704 Atomic density matrices (2159.27112s) started
T12 << 1462330134.42781091 Atomic density matrices (2162.77081s) stopped
T12 >> 1462330134.42785311 Multipole moments (7.97440s) started
T12 << 1462330134.44305897 Multipole moments (7.98961s) stopped
T12 >> 1462330134.44309306 Normalize (4.40947s) started
T12 << 1462330134.44941998 Normalize (4.41580s) stopped
T12 >> 1462330134.44949389 Mix (274.76847s) started
T12 << 1462330134.87572098 Mix (275.19469s) stopped
T12 << 1462330134.87579489 Density (10721.68752s) stopped
T12 >> 1462330134.87583208 Hamiltonian (32236.39683s) started
T12 >> 1462330134.87584805 vbar (17.40569s) started
T12 << 1462330134.90420604 vbar (17.43405s) stopped
T12 >> 1462330134.90435290 XC 3D grid (18393.19255s) started
T12 >> 1462330135.49571490 van der Waals (17764.91757s) started
T12 >> 1462330135.60567498 semilocal (3752.89791s) started
T12 << 1462330141.42810011 semilocal (3758.72034s) stopped
T12 >> 1462330141.50724411 redistribute (1909.49446s) started
T12 << 1462330142.45912194 redistribute (1910.44634s) stopped
T12 >> 1462330142.45917296 libvdwxc nonlocal (11978.59943s) started
T12 << 1462330160.71546197 libvdwxc nonlocal (11996.85572s) stopped
T12 >> 1462330160.71554208 redistribute (1910.44638s) started
T12 << 1462330162.74605799 redistribute (1912.47689s) stopped
T12 << 1462330162.74706697 van der Waals (17792.16892s) stopped
T12 << 1462330163.21185708 XC 3D grid (18421.50005s) stopped
T12 >> 1462330163.21190810 Poisson (3863.56776s) started
T12 << 1462330167.59697604 Poisson (3867.95283s) stopped
T12 >> 1462330167.59711289 Hartree integrate/restrict (242.25310s) started
T12 << 1462330167.63467598 Hartree integrate/restrict (242.29067s) stopped
T12 >> 1462330167.63477898 Hartree integrate/restrict (242.29073s) started
T12 << 1462330168.03006291 Hartree integrate/restrict (242.68602s) stopped
T12 >> 1462330168.03017306 Atomic (1554.66403s) started
T12 >> 1462330168.03287101 XC Correction (0.02158s) started
T12 << 1462330168.03291106 XC Correction (0.02162s) stopped
T12 << 1462330170.43316793 Atomic (1557.06703s) stopped
T12 >> 1462330170.43333793 Communicate (8165.05813s) started
T12 << 1462330187.14025092 Communicate (8181.76505s) stopped
T12 << 1462330187.14027905 Hamiltonian (32288.66128s) stopped
T12 >> 1462330187.14030194 LCAO eigensolver (45431.67567s) started
T12 >> 1462330187.14031506 Potential matrix (678.64979s) started
T12 << 1462330188.10708690 Potential matrix (679.61656s) stopped
T12 >> 1462330188.10718489 DistributedAtomicCorrection (284.95090s) started
T12 << 1462330188.56786609 DistributedAtomicCorrection (285.41158s) stopped
T12 >> 1462330188.56793189 Distribute overlap matrix (5245.27596s) started
T12 >> 1462330188.56795692 blocked summation (2928.31129s) started
T12 << 1462330193.09128189 blocked summation (2932.83462s) stopped
T12 >> 1462330193.10119700 Scalapack redistribute (2310.11623s) started
T12 << 1462330196.75617504 Scalapack redistribute (2313.77121s) stopped
T12 << 1462330196.75628304 Distribute overlap matrix (5253.46431s) stopped
T12 >> 1462330196.76071191 Blacs Orbital Layouts (37984.31096s) started
T12 >> 1462330196.76937389 General diagonalize (37832.78345s) started
T12 << 1462330252.32820892 General diagonalize (37888.34229s) stopped
T12 >> 1462330252.32826304 Redistribute coefs (5.78356s) started
T12 << 1462330252.33698392 Redistribute coefs (5.79228s) stopped
T12 >> 1462330252.33703208 Send coefs to domains (139.36268s) started
T12 << 1462330252.64486289 Send coefs to domains (139.67051s) stopped
T12 << 1462330252.64531898 Blacs Orbital Layouts (38040.19557s) stopped
T12 >> 1462330252.64535594 Calculate projections (1235.05407s) started
T12 << 1462330254.42439508 Calculate projections (1236.83311s) stopped
T12 << 1462330254.42460704 LCAO eigensolver (45498.95998s) stopped
T12 >> 1462330257.48444295 Density (10721.68754s) started
T12 >> 1462330257.48446012 Pseudo density (8271.26492s) started
T12 >> 1462330257.48667789 Calculate density matrix (7767.04980s) started
T12 << 1462330269.39182401 Calculate density matrix (7778.95494s) stopped
T12 >> 1462330269.39188504 Construct density (491.06868s) started
T12 << 1462330270.17553902 Construct density (491.85233s) stopped
T12 >> 1462330270.18955898 Symmetrize density (0.05550s) started
T12 << 1462330270.18963289 Symmetrize density (0.05557s) stopped
T12 << 1462330270.19174099 Pseudo density (8283.97220s) stopped
T12 >> 1462330270.19180894 Atomic density matrices (2162.77084s) started
T12 << 1462330273.62944198 Atomic density matrices (2166.20848s) stopped
T12 >> 1462330273.62947989 Multipole moments (7.98962s) started
T12 << 1462330273.64469910 Multipole moments (8.00484s) stopped
T12 >> 1462330273.64473200 Normalize (4.41585s) started
T12 << 1462330273.65089703 Normalize (4.42201s) stopped
T12 >> 1462330273.65102100 Mix (275.19476s) started
T12 << 1462330274.13085890 Mix (275.67460s) stopped
T12 << 1462330274.13091612 Density (10738.33401s) stopped
T12 >> 1462330274.13094401 Hamiltonian (32288.66129s) started
T12 >> 1462330274.13095999 vbar (17.43414s) started
T12 << 1462330274.15312505 vbar (17.45630s) stopped
T12 >> 1462330274.15325689 XC 3D grid (18421.50009s) started
T12 >> 1462330274.69420910 van der Waals (17792.16895s) started
T12 >> 1462330274.80577993 semilocal (3758.72039s) started
T12 << 1462330280.54262090 semilocal (3764.45723s) stopped
T12 >> 1462330280.61959910 redistribute (1912.47693s) started
T12 << 1462330281.66125488 redistribute (1913.51859s) stopped
T12 >> 1462330281.66134310 libvdwxc nonlocal (11996.85578s) started
T12 << 1462330299.87938309 libvdwxc nonlocal (12015.07382s) stopped
T12 >> 1462330299.87947011 redistribute (1913.51865s) started
T12 << 1462330301.99424195 redistribute (1915.63342s) stopped
T12 << 1462330301.99556208 van der Waals (17819.47030s) stopped
T12 << 1462330302.46035695 XC 3D grid (18449.80719s) stopped
T12 >> 1462330302.46040606 Poisson (3867.95294s) started
T12 << 1462330306.81693506 Poisson (3872.30946s) stopped
T12 >> 1462330306.81703305 Hartree integrate/restrict (242.68607s) started
T12 << 1462330306.85426593 Hartree integrate/restrict (242.72330s) stopped
T12 >> 1462330306.85437894 Hartree integrate/restrict (242.72337s) started
T12 << 1462330307.18881607 Hartree integrate/restrict (243.05781s) stopped
T12 >> 1462330307.18891692 Atomic (1557.06705s) started
T12 >> 1462330307.19086695 XC Correction (0.02163s) started
T12 << 1462330307.19089293 XC Correction (0.02166s) stopped
T12 << 1462330309.58641410 Atomic (1559.46455s) stopped
T12 >> 1462330309.58657598 Communicate (8181.76506s) started
T12 << 1462330326.22348404 Communicate (8198.40197s) stopped
T12 << 1462330326.22352409 Hamiltonian (32340.75387s) stopped
T12 >> 1462330326.22355008 LCAO eigensolver (45498.96000s) started
T12 >> 1462330326.22356296 Potential matrix (679.61662s) started
T12 << 1462330327.19904304 Potential matrix (680.59210s) stopped
T12 >> 1462330327.19914198 DistributedAtomicCorrection (285.41162s) started
T12 << 1462330327.65808511 DistributedAtomicCorrection (285.87056s) stopped
T12 >> 1462330327.65815210 Distribute overlap matrix (5253.46432s) started
T12 >> 1462330327.65817690 blocked summation (2932.83467s) started
T12 << 1462330332.24167705 blocked summation (2937.41817s) stopped
T12 >> 1462330332.25071096 Scalapack redistribute (2313.77128s) started
T12 << 1462330335.91647696 Scalapack redistribute (2317.43704s) stopped
T12 << 1462330335.91658306 Distribute overlap matrix (5261.72276s) stopped
T12 >> 1462330335.92132211 Blacs Orbital Layouts (38040.19559s) started
T12 >> 1462330335.93007493 General diagonalize (37888.34233s) started
T12 << 1462330390.16863894 General diagonalize (37942.58089s) stopped
T12 >> 1462330390.16869211 Redistribute coefs (5.79231s) started
T12 << 1462330390.17712092 Redistribute coefs (5.80074s) stopped
T12 >> 1462330390.17716908 Send coefs to domains (139.67056s) started
T12 << 1462330390.34978890 Send coefs to domains (139.84317s) stopped
T12 << 1462330390.35014296 Blacs Orbital Layouts (38094.62441s) stopped
T12 >> 1462330390.35017991 Calculate projections (1236.83317s) started
T12 << 1462330392.12934899 Calculate projections (1238.61234s) stopped
T12 << 1462330392.12955308 LCAO eigensolver (45564.86600s) stopped
T12 << 1462330395.21222496 SCF-cycle (90874.64456s) stopped
T12 >> 1462330397.85826492 Force calculation (4171.53833s) started
T12 >> 1462330397.85837293 LCAO forces (4126.31834s) started
T12 >> 1462330397.85876393 Initial (0.00120s) started
T12 << 1462330397.85877490 Initial (0.00121s) stopped
T12 >> 1462330397.86546707 Get density matrix (2154.43137s) started
T12 << 1462330407.08116388 Get density matrix (2163.64707s) stopped
T12 >> 1462330407.08121896 Potential (325.57224s) started
T12 << 1462330413.26762700 Potential (331.75865s) stopped
T12 >> 1462330413.26768708 Get density matrix (2163.64711s) started
T12 << 1462330444.66371894 Get density matrix (2195.04315s) stopped
T12 >> 1462330444.66379094 Prepare TCI loop (114.84224s) started
T12 >> 1462330444.66441607 Get neighbors (103.16863s) started
T12 << 1462330446.72643995 Get neighbors (105.23065s) stopped
T12 >> 1462330446.72672701 broadcast dH (11.61129s) started
T12 << 1462330446.97839403 broadcast dH (11.86295s) stopped
T12 << 1462330446.97844195 Prepare TCI loop (117.15689s) stopped
T12 >> 1462330446.97846198 Not so complicated loop (6.31646s) started
T12 << 1462330447.10280991 Not so complicated loop (6.44081s) stopped
T12 >> 1462330447.23046994 Complicated loop (996.71530s) started
T12 << 1462330467.09084702 Complicated loop (1016.57568s) stopped
T12 >> 1462330467.09182692 Wait for sum (521.64325s) started
T12 << 1462330477.55366898 Wait for sum (532.10509s) stopped
T12 << 1462330477.55370998 LCAO forces (4206.01368s) stopped
T12 << 1462330478.45534110 Force calculation (4252.13540s) stopped
T12 >> 1462330478.47353506 Initialization (6957.49970s) started
T12 << 1462330478.47371411 Initialization (6957.49988s) stopped
T12 >> 1462330478.47395205 Initialization (6957.49989s) started
T12 << 1462330478.47409201 Initialization (6957.50003s) stopped
T12 >> 1462330478.47423410 Initialization (6957.50005s) started
T12 << 1462330478.47437000 Initialization (6957.50018s) stopped
T12 >> 1462330498.86526608 Initialization (6957.50020s) started
T12 >> 1462330498.90965700 Basic WFS set positions (4.76735s) started
T12 >> 1462330498.90967989 Redistribute (0.01471s) started
T12 << 1462330498.90981102 Redistribute (0.01484s) stopped
T12 << 1462330499.00123596 Basic WFS set positions (4.85893s) stopped
T12 >> 1462330499.00126696 Basis functions set positions (99.81759s) started
T12 << 1462330500.96868896 Basis functions set positions (101.78502s) stopped
T12 >> 1462330500.96922708 TCI: Calculate S, T, P (828.61793s) started
T12 << 1462330517.07328796 TCI: Calculate S, T, P (844.72199s) stopped
T12 >> 1462330517.07334805 blocked summation (1316.57395s) started
T12 << 1462330547.27125406 blocked summation (1346.77186s) stopped
T12 >> 1462330547.28041291 Scalapack redistribute (493.49299s) started
T12 << 1462330556.61501503 Scalapack redistribute (502.82759s) stopped
T12 >> 1462330556.61646700 blocked summation (1346.77193s) started
T12 << 1462330557.66165090 blocked summation (1347.81711s) stopped
T12 >> 1462330557.67124605 Scalapack redistribute (502.82764s) started
T12 << 1462330557.99696898 Scalapack redistribute (503.15337s) stopped
T12 >> 1462330557.99959111 Redistribute (0.11249s) started
T12 << 1462330558.00013399 Redistribute (0.11304s) stopped
T12 >> 1462330559.76761889 Redistribute (0.11305s) started
T12 << 1462330559.76812291 Redistribute (0.11356s) stopped
T12 >> 1462330559.78985095 LCAO WFS Initialize (4107.96016s) started
T12 >> 1462330559.78991699 Density initialize from wavefunctions (774.72507s) started
T12 >> 1462330559.79488492 Calculate density matrix (535.70292s) started
T12 << 1462330569.59679103 Calculate density matrix (545.50483s) stopped
T12 >> 1462330569.59684992 Construct density (40.79057s) started
T12 << 1462330570.37526989 Construct density (41.56899s) stopped
T12 >> 1462330570.38977408 Symmetrize density (0.00445s) started
T12 << 1462330570.38985300 Symmetrize density (0.00453s) stopped
T12 << 1462330574.24960208 Density initialize from wavefunctions (789.18475s) stopped
T12 >> 1462330574.24987006 Hamiltonian (3332.30453s) started
T12 >> 1462330574.24988794 vbar (1.51485s) started
T12 << 1462330574.28199792 vbar (1.54696s) stopped
T12 >> 1462330574.28214192 XC 3D grid (1566.29525s) started
T12 >> 1462330574.75206804 van der Waals (1512.96110s) started
T12 >> 1462330574.86395907 semilocal (318.59309s) started
T12 << 1462330580.72752595 semilocal (324.45666s) stopped
T12 >> 1462330580.80237103 redistribute (172.94450s) started
T12 << 1462330581.74288392 redistribute (173.88501s) stopped
T12 >> 1462330581.74294305 libvdwxc nonlocal (1010.88389s) started
T12 << 1462330600.08860397 libvdwxc nonlocal (1029.22955s) stopped
T12 >> 1462330600.08868599 redistribute (173.88505s) started
T12 << 1462330602.07202506 redistribute (175.86839s) stopped
T12 << 1462330602.07311392 van der Waals (1540.28215s) stopped
T12 << 1462330602.53992391 XC 3D grid (1594.55303s) stopped
T12 >> 1462330602.53998494 Poisson (800.52454s) started
T12 << 1462330614.52009702 Poisson (812.50465s) stopped
T12 >> 1462330614.52019906 Hartree integrate/restrict (20.55788s) started
T12 << 1462330614.57915401 Hartree integrate/restrict (20.61683s) stopped
T12 >> 1462330614.57920408 Hartree integrate/restrict (20.61687s) started
T12 << 1462330614.89117002 Hartree integrate/restrict (20.92883s) stopped
T12 >> 1462330614.89127588 Atomic (130.38254s) started
T12 >> 1462330614.89329791 XC Correction (0.00203s) started
T12 << 1462330614.89331388 XC Correction (0.00205s) stopped
T12 << 1462330617.28831005 Atomic (132.77958s) stopped
T12 >> 1462330617.28848290 Communicate (812.98173s) started
T12 << 1462330635.86471605 Communicate (831.55796s) stopped
T12 << 1462330635.86475205 Hamiltonian (3393.91941s) stopped
T12 << 1462330635.86476707 LCAO WFS Initialize (4184.03507s) stopped
T12 << 1462330635.87700295 Initialization (7094.51193s) stopped
T12 >> 1462330635.90307593 SCF-cycle (90874.64459s) started
T12 >> 1462330635.90311193 LCAO eigensolver (45564.86602s) started
T12 >> 1462330635.90312505 Potential matrix (680.59216s) started
T12 << 1462330636.87710309 Potential matrix (681.56613s) stopped
T12 >> 1462330636.87719011 DistributedAtomicCorrection (285.87060s) started
T12 << 1462330637.32245398 DistributedAtomicCorrection (286.31587s) stopped
T12 >> 1462330637.32249999 Distribute overlap matrix (5261.72277s) started
T12 >> 1462330637.32253289 blocked summation (2937.41823s) started
T12 << 1462330641.87294006 blocked summation (2941.96864s) stopped
T12 >> 1462330641.88321209 Scalapack redistribute (2317.43710s) started
T12 << 1462330645.48040104 Scalapack redistribute (2321.03429s) stopped
T12 << 1462330645.48048401 Distribute overlap matrix (5269.88075s) stopped
T12 >> 1462330645.48619699 Blacs Orbital Layouts (38094.62443s) started
T12 >> 1462330645.49496102 General diagonalize (37942.58094s) started
T12 << 1462330702.42397904 General diagonalize (37999.50995s) stopped
T12 >> 1462330702.42405105 Redistribute coefs (5.80078s) started
T12 << 1462330702.43182302 Redistribute coefs (5.80855s) stopped
T12 >> 1462330702.43189812 Send coefs to domains (139.84322s) started
T12 << 1462330702.52499294 Send coefs to domains (139.93631s) stopped
T12 << 1462330702.52549100 Blacs Orbital Layouts (38151.66372s) stopped
T12 >> 1462330702.52552009 Calculate projections (1238.61239s) started
T12 << 1462330704.29379511 Calculate projections (1240.38067s) stopped
T12 << 1462330704.29418111 LCAO eigensolver (45633.25709s) stopped
T12 >> 1462330707.37162495 Density (10738.33402s) started
T12 >> 1462330707.37164092 Pseudo density (8283.97225s) started
T12 >> 1462330707.37436509 Calculate density matrix (7778.95498s) started
T12 << 1462330719.23656011 Calculate density matrix (7790.81718s) stopped
T12 >> 1462330719.23660898 Construct density (491.85239s) started
T12 << 1462330720.01587892 Construct density (492.63166s) stopped
T12 >> 1462330720.03321910 Symmetrize density (0.05559s) started
T12 << 1462330720.03328609 Symmetrize density (0.05566s) stopped
T12 << 1462330720.03570795 Pseudo density (8296.63632s) stopped
T12 >> 1462330720.03576589 Atomic density matrices (2166.20850s) started
T12 << 1462330723.55915093 Atomic density matrices (2169.73189s) stopped
T12 >> 1462330723.55918288 Multipole moments (8.00486s) started
T12 << 1462330723.57480597 Multipole moments (8.02048s) stopped
T12 >> 1462330723.57483101 Normalize (4.42211s) started
T12 << 1462330723.58140612 Normalize (4.42868s) stopped
T12 >> 1462330723.58144498 Mix (275.67466s) started
T12 << 1462330724.00659108 Mix (276.09980s) stopped
T12 << 1462330724.00666308 Density (10754.96906s) stopped
T12 >> 1462330724.00669408 Hamiltonian (32340.75388s) started
T12 >> 1462330724.00670910 vbar (17.45637s) started
T12 << 1462330724.03075504 vbar (17.48042s) stopped
T12 >> 1462330724.03085208 XC 3D grid (18449.80723s) started
T12 >> 1462330724.55509305 van der Waals (17819.47034s) started
T12 >> 1462330724.66774011 semilocal (3764.45732s) started
T12 << 1462330730.47231293 semilocal (3770.26189s) stopped
T12 >> 1462330730.54766512 redistribute (1915.63348s) started
T12 << 1462330731.52023411 redistribute (1916.60605s) stopped
T12 >> 1462330731.52027702 libvdwxc nonlocal (12015.07389s) started
T12 << 1462330750.59173298 libvdwxc nonlocal (12034.14534s) stopped
T12 >> 1462330750.59181190 redistribute (1916.60609s) started
T12 << 1462330752.35635710 redistribute (1918.37064s) stopped
T12 << 1462330752.35748506 van der Waals (17847.27273s) stopped
T12 << 1462330752.82560802 XC 3D grid (18478.60198s) stopped
T12 >> 1462330752.82565093 Poisson (3872.30953s) started
T12 << 1462330757.26064610 Poisson (3876.74453s) stopped
T12 >> 1462330757.26071811 Hartree integrate/restrict (243.05786s) started
T12 << 1462330757.30573010 Hartree integrate/restrict (243.10287s) stopped
T12 >> 1462330757.30582190 Hartree integrate/restrict (243.10293s) started
T12 << 1462330757.63124990 Hartree integrate/restrict (243.42836s) stopped
T12 >> 1462330757.63136101 Atomic (1559.46457s) started
T12 >> 1462330757.63331795 XC Correction (0.02167s) started
T12 << 1462330757.63333511 XC Correction (0.02169s) stopped
T12 << 1462330760.02707410 Atomic (1561.86028s) stopped
T12 >> 1462330760.02725291 Communicate (8198.40200s) started
T12 << 1462330778.61638308 Communicate (8216.99113s) stopped
T12 << 1462330778.61641788 Hamiltonian (32395.36361s) stopped
T12 >> 1462330778.61644411 LCAO eigensolver (45633.25711s) started
T12 >> 1462330778.61645699 Potential matrix (681.56619s) started
T12 << 1462330779.59208989 Potential matrix (682.54182s) stopped
T12 >> 1462330779.59217596 DistributedAtomicCorrection (286.31590s) started
T12 << 1462330780.04180408 DistributedAtomicCorrection (286.76553s) stopped
T12 >> 1462330780.04184890 Distribute overlap matrix (5269.88076s) started
T12 >> 1462330780.04188395 blocked summation (2941.96867s) started
T12 << 1462330784.58688402 blocked summation (2946.51367s) stopped
T12 >> 1462330784.59656191 Scalapack redistribute (2321.03433s) started
T12 << 1462330788.43730593 Scalapack redistribute (2324.87507s) stopped
T12 << 1462330788.43738890 Distribute overlap matrix (5278.27630s) stopped
T12 >> 1462330788.44222808 Blacs Orbital Layouts (38151.66374s) started
T12 >> 1462330788.45117497 General diagonalize (37999.51001s) started
T12 << 1462330842.92538190 General diagonalize (38053.98422s) stopped
T12 >> 1462330842.92545605 Redistribute coefs (5.80861s) started
T12 << 1462330842.93344498 Redistribute coefs (5.81660s) stopped
T12 >> 1462330842.93352008 Send coefs to domains (139.93634s) started
T12 << 1462330843.21146107 Send coefs to domains (140.21428s) stopped
T12 << 1462330843.21203303 Blacs Orbital Layouts (38206.43354s) stopped
T12 >> 1462330843.21206093 Calculate projections (1240.38072s) started
T12 << 1462330844.97967410 Calculate projections (1242.14833s) stopped
T12 << 1462330844.98004103 LCAO eigensolver (45699.62071s) stopped
T12 >> 1462330848.07090497 Density (10754.96908s) started
T12 >> 1462330848.07091999 Pseudo density (8296.63637s) started
T12 >> 1462330848.07373405 Calculate density matrix (7790.81721s) started
T12 << 1462330859.89244294 Calculate density matrix (7802.63592s) stopped
T12 >> 1462330859.89248991 Construct density (492.63171s) started
T12 << 1462330860.67069292 Construct density (493.40991s) stopped
T12 >> 1462330860.68797803 Symmetrize density (0.05567s) started
T12 << 1462330860.68804097 Symmetrize density (0.05574s) stopped
T12 << 1462330860.69043899 Pseudo density (8309.25589s) stopped
T12 >> 1462330860.69049406 Atomic density matrices (2169.73191s) started
T12 << 1462330864.21229100 Atomic density matrices (2173.25371s) stopped
T12 >> 1462330864.21232295 Multipole moments (8.02050s) started
T12 << 1462330864.22794199 Multipole moments (8.03612s) stopped
T12 >> 1462330864.22796512 Normalize (4.42871s) started
T12 << 1462330864.23575401 Normalize (4.43650s) stopped
T12 >> 1462330864.23582411 Mix (276.09987s) started
T12 << 1462330864.65975404 Mix (276.52380s) stopped
T12 << 1462330864.65982389 Density (10771.55800s) stopped
T12 >> 1462330864.65985298 Hamiltonian (32395.36362s) started
T12 >> 1462330864.65986800 vbar (17.48048s) started
T12 << 1462330864.69146991 vbar (17.51208s) stopped
T12 >> 1462330864.69166708 XC 3D grid (18478.60202s) started
T12 >> 1462330865.15697289 van der Waals (17847.27276s) started
T12 >> 1462330865.27033305 semilocal (3770.26199s) started
T12 << 1462330871.09504795 semilocal (3776.08670s) stopped
T12 >> 1462330871.16982102 redistribute (1918.37070s) started
T12 << 1462330872.12083697 redistribute (1919.32171s) stopped
T12 >> 1462330872.12089801 libvdwxc nonlocal (12034.14539s) started
T12 << 1462330890.77121496 libvdwxc nonlocal (12052.79571s) stopped
T12 >> 1462330890.77128005 redistribute (1919.32176s) started
T12 << 1462330892.52647710 redistribute (1921.07696s) stopped
T12 << 1462330892.52762890 van der Waals (17874.64342s) stopped
T12 << 1462330892.99535108 XC 3D grid (18506.90570s) stopped
T12 >> 1462330892.99541306 Poisson (3876.74458s) started
T12 << 1462330901.73271489 Poisson (3885.48188s) stopped
T12 >> 1462330901.73285198 Hartree integrate/restrict (243.42842s) started
T12 << 1462330901.77792501 Hartree integrate/restrict (243.47350s) stopped
T12 >> 1462330901.77802300 Hartree integrate/restrict (243.47356s) started
T12 << 1462330902.12694812 Hartree integrate/restrict (243.82249s) stopped
T12 >> 1462330902.12702608 Atomic (1561.86031s) started
T12 >> 1462330902.12879395 XC Correction (0.02170s) started
T12 << 1462330902.12881303 XC Correction (0.02172s) stopped
T12 << 1462330904.49100304 Atomic (1564.22428s) stopped
T12 >> 1462330904.49117589 Communicate (8216.99115s) started
T12 << 1462330923.14978695 Communicate (8235.64976s) stopped
T12 << 1462330923.14984393 Hamiltonian (32453.85361s) stopped
T12 >> 1462330923.14986992 LCAO eigensolver (45699.62072s) started
T12 >> 1462330923.14988303 Potential matrix (682.54187s) started
T12 << 1462330924.13365102 Potential matrix (683.52564s) stopped
T12 >> 1462330924.13372111 DistributedAtomicCorrection (286.76557s) started
T12 << 1462330924.57143998 DistributedAtomicCorrection (287.20329s) stopped
T12 >> 1462330924.57148504 Distribute overlap matrix (5278.27632s) started
T12 >> 1462330924.57151389 blocked summation (2946.51370s) started
T12 << 1462330929.18855810 blocked summation (2951.13074s) stopped
T12 >> 1462330929.19808602 Scalapack redistribute (2324.87511s) started
T12 << 1462330932.95515490 Scalapack redistribute (2328.63218s) stopped
T12 << 1462330932.95525408 Distribute overlap matrix (5286.66009s) stopped
T12 >> 1462330932.95963311 Blacs Orbital Layouts (38206.43357s) started
T12 >> 1462330932.96853995 General diagonalize (38053.98428s) started
T12 << 1462330990.64769411 General diagonalize (38111.66344s) stopped
T12 >> 1462330990.64778709 Redistribute coefs (5.81667s) started
T12 << 1462330990.65683103 Redistribute coefs (5.82571s) stopped
T12 >> 1462330990.65690303 Send coefs to domains (140.21432s) started
T12 << 1462330990.79928303 Send coefs to domains (140.35670s) stopped
T12 << 1462330990.79982400 Blacs Orbital Layouts (38264.27376s) stopped
T12 >> 1462330990.79985595 Calculate projections (1242.14838s) started
T12 << 1462330992.58096409 Calculate projections (1243.92948s) stopped
T12 << 1462330992.58120894 LCAO eigensolver (45769.05206s) stopped
T12 >> 1462330995.64146304 Density (10771.55801s) started
T12 >> 1462330995.64147902 Pseudo density (8309.25593s) started
T12 >> 1462330995.64415002 Calculate density matrix (7802.63595s) started
T12 << 1462331007.55959105 Calculate density matrix (7814.55139s) stopped
T12 >> 1462331007.55964589 Construct density (493.40996s) started
T12 << 1462331008.34082007 Construct density (494.19113s) stopped
T12 >> 1462331008.35515189 Symmetrize density (0.05575s) started
T12 << 1462331008.35522890 Symmetrize density (0.05583s) stopped
T12 << 1462331008.35730910 Pseudo density (8321.97176s) stopped
T12 >> 1462331008.35737610 Atomic density matrices (2173.25374s) started
T12 << 1462331011.84438491 Atomic density matrices (2176.74074s) stopped
T12 >> 1462331011.84442091 Multipole moments (8.03614s) started
T12 << 1462331011.85949612 Multipole moments (8.05121s) stopped
T12 >> 1462331011.85952806 Normalize (4.43656s) started
T12 << 1462331011.86579704 Normalize (4.44283s) stopped
T12 >> 1462331011.86585498 Mix (276.52387s) started
T12 << 1462331012.22091603 Mix (276.87893s) stopped
T12 << 1462331012.22097898 Density (10788.13753s) stopped
T12 >> 1462331012.22100806 Hamiltonian (32453.85362s) started
T12 >> 1462331012.22102308 vbar (17.51220s) started
T12 << 1462331012.24411201 vbar (17.53529s) stopped
T12 >> 1462331012.24422693 XC 3D grid (18506.90576s) started
T12 >> 1462331012.83652091 van der Waals (17874.64344s) started
T12 >> 1462331012.94629407 semilocal (3776.08681s) started
T12 << 1462331018.75593305 semilocal (3781.89645s) stopped
T12 >> 1462331018.83023000 redistribute (1921.07702s) started
T12 << 1462331019.79735303 redistribute (1922.04414s) stopped
T12 >> 1462331019.79740500 libvdwxc nonlocal (12052.79576s) started
T12 << 1462331037.60245895 libvdwxc nonlocal (12070.60081s) stopped
T12 >> 1462331037.60254192 redistribute (1922.04418s) started
T12 << 1462331039.70992303 redistribute (1924.15156s) stopped
T12 << 1462331039.71096110 van der Waals (17901.51788s) stopped
T12 << 1462331040.17451191 XC 3D grid (18534.83604s) stopped
T12 >> 1462331040.17458105 Poisson (3885.48199s) started
T12 << 1462331045.87451005 Poisson (3891.18192s) stopped
T12 >> 1462331045.87464809 Hartree integrate/restrict (243.82252s) started
T12 << 1462331045.92062306 Hartree integrate/restrict (243.86850s) stopped
T12 >> 1462331045.92066789 Hartree integrate/restrict (243.86853s) started
T12 << 1462331046.22974992 Hartree integrate/restrict (244.17761s) stopped
T12 >> 1462331046.22984099 Atomic (1564.22431s) started
T12 >> 1462331046.23159504 XC Correction (0.02173s) started
T12 << 1462331046.23161101 XC Correction (0.02175s) stopped
T12 << 1462331048.61519003 Atomic (1566.60966s) stopped
T12 >> 1462331048.61537290 Communicate (8235.64981s) started
T12 << 1462331067.22108197 Communicate (8254.25552s) stopped
T12 << 1462331067.22112012 Hamiltonian (32508.85374s) stopped
T12 >> 1462331067.22114491 LCAO eigensolver (45769.05208s) started
T12 >> 1462331067.22115803 Potential matrix (683.52568s) started
T12 << 1462331068.20115590 Potential matrix (684.50568s) stopped
T12 >> 1462331068.20122695 DistributedAtomicCorrection (287.20333s) started
T12 << 1462331068.64594889 DistributedAtomicCorrection (287.64805s) stopped
T12 >> 1462331068.64599705 Distribute overlap matrix (5286.66010s) started
T12 >> 1462331068.64602709 blocked summation (2951.13077s) started
T12 << 1462331073.18249893 blocked summation (2955.66724s) stopped
T12 >> 1462331073.19163799 Scalapack redistribute (2328.63224s) started
T12 << 1462331076.95239305 Scalapack redistribute (2332.39300s) stopped
T12 << 1462331076.95244288 Distribute overlap matrix (5294.96654s) stopped
T12 >> 1462331076.95743799 Blacs Orbital Layouts (38264.27378s) started
T12 >> 1462331076.96616912 General diagonalize (38111.66351s) started
T12 << 1462331132.10726094 General diagonalize (38166.80461s) stopped
T12 >> 1462331132.10734892 Redistribute coefs (5.82577s) started
T12 << 1462331132.11699796 Redistribute coefs (5.83542s) stopped
T12 >> 1462331132.11706901 Send coefs to domains (140.35674s) started
T12 << 1462331132.26335192 Send coefs to domains (140.50302s) stopped
T12 << 1462331132.26380992 Blacs Orbital Layouts (38319.58015s) stopped
T12 >> 1462331132.26384401 Calculate projections (1243.92954s) started
T12 << 1462331134.04424500 Calculate projections (1245.70994s) stopped
T12 << 1462331134.04449201 LCAO eigensolver (45835.87543s) stopped
T12 >> 1462331137.10268402 Density (10788.13754s) started
T12 >> 1462331137.10270000 Pseudo density (8321.97181s) started
T12 >> 1462331137.10533094 Calculate density matrix (7814.55143s) started
T12 << 1462331149.03578806 Calculate density matrix (7826.48189s) stopped
T12 >> 1462331149.03584790 Construct density (494.19119s) started
T12 << 1462331149.81757307 Construct density (494.97292s) stopped
T12 >> 1462331149.83187008 Symmetrize density (0.05585s) started
T12 << 1462331149.83194804 Symmetrize density (0.05593s) stopped
T12 << 1462331149.83403993 Pseudo density (8334.70315s) stopped
T12 >> 1462331149.83410811 Atomic density matrices (2176.74077s) started
T12 << 1462331153.28598690 Atomic density matrices (2180.19265s) stopped
T12 >> 1462331153.28602195 Multipole moments (8.05123s) started
T12 << 1462331153.30166292 Multipole moments (8.06687s) stopped
T12 >> 1462331153.30169797 Normalize (4.44287s) started
T12 << 1462331153.30788803 Normalize (4.44906s) stopped
T12 >> 1462331153.30794692 Mix (276.87899s) started
T12 << 1462331153.73131990 Mix (277.30237s) stopped
T12 << 1462331153.73138404 Density (10804.76624s) stopped
T12 >> 1462331153.73141909 Hamiltonian (32508.85375s) started
T12 >> 1462331153.73143697 vbar (17.53536s) started
T12 << 1462331153.75587797 vbar (17.55980s) stopped
T12 >> 1462331153.75600195 XC 3D grid (18534.83610s) started
T12 >> 1462331154.26160312 van der Waals (17901.51791s) started
T12 >> 1462331154.37291789 semilocal (3781.89656s) started
T12 << 1462331160.14233208 semilocal (3787.66597s) stopped
T12 >> 1462331160.22058797 redistribute (1924.15163s) started
T12 << 1462331161.24697208 redistribute (1925.17801s) stopped
T12 >> 1462331161.24702191 libvdwxc nonlocal (12070.60087s) started
T12 << 1462331179.51352811 libvdwxc nonlocal (12088.86738s) stopped
T12 >> 1462331179.51360011 redistribute (1925.17805s) started
T12 << 1462331181.56408191 redistribute (1927.22853s) stopped
T12 << 1462331181.56512308 van der Waals (17928.82143s) stopped
T12 << 1462331182.03507805 XC 3D grid (18563.11517s) stopped
T12 >> 1462331182.03514504 Poisson (3891.18203s) started
T12 << 1462331187.86318493 Poisson (3897.01007s) stopped
T12 >> 1462331187.86338210 Hartree integrate/restrict (244.17766s) started
T12 << 1462331187.90190792 Hartree integrate/restrict (244.21618s) stopped
T12 >> 1462331187.90206504 Hartree integrate/restrict (244.21629s) started
T12 << 1462331188.21737099 Hartree integrate/restrict (244.53160s) stopped
T12 >> 1462331188.21748209 Atomic (1566.60968s) started
T12 >> 1462331188.21954203 XC Correction (0.02176s) started
T12 << 1462331188.21957111 XC Correction (0.02179s) stopped
T12 << 1462331190.59948611 Atomic (1568.99168s) stopped
T12 >> 1462331190.59968209 Communicate (8254.25555s) started
T12 << 1462331208.34033608 Communicate (8271.99620s) stopped
T12 << 1462331208.34037900 Hamiltonian (32563.46271s) stopped
T12 >> 1462331208.34040594 LCAO eigensolver (45835.87545s) started
T12 >> 1462331208.34041905 Potential matrix (684.50572s) started
T12 << 1462331209.31490493 Potential matrix (685.48020s) stopped
T12 >> 1462331209.31498599 DistributedAtomicCorrection (287.64809s) started
T12 << 1462331209.78511190 DistributedAtomicCorrection (288.11822s) stopped
T12 >> 1462331209.78518295 Distribute overlap matrix (5294.96656s) started
T12 >> 1462331209.78520799 blocked summation (2955.66728s) started
T12 << 1462331214.30307388 blocked summation (2960.18515s) stopped
T12 >> 1462331214.31339097 Scalapack redistribute (2332.39303s) started
T12 << 1462331218.14324594 Scalapack redistribute (2336.22289s) stopped
T12 << 1462331218.14332700 Distribute overlap matrix (5303.32470s) stopped
T12 >> 1462331218.14835095 Blacs Orbital Layouts (38319.58017s) started
T12 >> 1462331218.15725207 General diagonalize (38166.80468s) started
T12 << 1462331271.89739990 General diagonalize (38220.54483s) stopped
T12 >> 1462331271.89745903 Redistribute coefs (5.83547s) started
T12 << 1462331271.90621901 Redistribute coefs (5.84423s) stopped
T12 >> 1462331271.90626788 Send coefs to domains (140.50306s) started
T12 << 1462331272.19030499 Send coefs to domains (140.78709s) stopped
T12 << 1462331272.19068599 Blacs Orbital Layouts (38373.62251s) stopped
T12 >> 1462331272.19071507 Calculate projections (1245.71000s) started
T12 << 1462331273.96999693 Calculate projections (1247.48928s) stopped
T12 << 1462331273.97039700 LCAO eigensolver (45901.50544s) stopped
T12 >> 1462331277.05420899 Density (10804.76626s) started
T12 >> 1462331277.05422592 Pseudo density (8334.70321s) started
T12 >> 1462331277.05683303 Calculate density matrix (7826.48193s) started
T12 << 1462331289.03757095 Calculate density matrix (7838.46267s) stopped
T12 >> 1462331289.03762889 Construct density (494.97297s) started
T12 << 1462331289.81654000 Construct density (495.75188s) stopped
T12 >> 1462331289.83056593 Symmetrize density (0.05595s) started
T12 << 1462331289.83064008 Symmetrize density (0.05602s) stopped
T12 << 1462331289.83273005 Pseudo density (8347.48171s) stopped
T12 >> 1462331289.83279800 Atomic density matrices (2180.19268s) started
T12 << 1462331293.38584590 Atomic density matrices (2183.74573s) stopped
T12 >> 1462331293.38588405 Multipole moments (8.06689s) started
T12 << 1462331293.40139294 Multipole moments (8.08239s) stopped
T12 >> 1462331293.40142488 Normalize (4.44910s) started
T12 << 1462331293.40773702 Normalize (4.45541s) stopped
T12 >> 1462331293.40779710 Mix (277.30243s) started
T12 << 1462331293.86830306 Mix (277.76294s) stopped
T12 << 1462331293.86835504 Density (10821.58040s) stopped
T12 >> 1462331293.86838007 Hamiltonian (32563.46272s) started
T12 >> 1462331293.86839509 vbar (17.55987s) started
T12 << 1462331293.88868594 vbar (17.58016s) stopped
T12 >> 1462331293.88879991 XC 3D grid (18563.11523s) started
T12 >> 1462331294.40168095 van der Waals (17928.82145s) started
T12 >> 1462331294.51320910 semilocal (3787.66607s) started
T12 << 1462331300.28595996 semilocal (3793.43882s) stopped
T12 >> 1462331300.36112809 redistribute (1927.22859s) started
T12 << 1462331301.37167811 redistribute (1928.23914s) stopped
T12 >> 1462331301.37173891 libvdwxc nonlocal (12088.86743s) started
T12 << 1462331319.33053803 libvdwxc nonlocal (12106.82623s) stopped
T12 >> 1462331319.33061695 redistribute (1928.23918s) started
T12 << 1462331321.30330706 redistribute (1930.21187s) stopped
T12 << 1462331321.30447507 van der Waals (17955.72425s) stopped
T12 << 1462331321.76761198 XC 3D grid (18590.99404s) stopped
T12 >> 1462331321.76766109 Poisson (3897.01024s) started
T12 << 1462331327.46725392 Poisson (3902.70983s) stopped
T12 >> 1462331327.46733904 Hartree integrate/restrict (244.53166s) started
T12 << 1462331327.50525999 Hartree integrate/restrict (244.56958s) stopped
T12 >> 1462331327.50534606 Hartree integrate/restrict (244.56963s) started
T12 << 1462331327.82274008 Hartree integrate/restrict (244.88703s) stopped
T12 >> 1462331327.82285404 Atomic (1568.99171s) started
T12 >> 1462331327.82485604 XC Correction (0.02180s) started
T12 << 1462331327.82488298 XC Correction (0.02183s) stopped
T12 << 1462331330.20799899 Atomic (1571.37685s) stopped
T12 >> 1462331330.20818806 Communicate (8271.99623s) started
T12 << 1462331347.12624693 Communicate (8288.91429s) stopped
T12 << 1462331347.12629008 Hamiltonian (32616.72063s) stopped
T12 >> 1462331347.12631702 LCAO eigensolver (45901.50546s) started
T12 >> 1462331347.12633109 Potential matrix (685.48025s) started
T12 << 1462331348.10025096 Potential matrix (686.45417s) stopped
T12 >> 1462331348.10034609 DistributedAtomicCorrection (288.11826s) started
T12 << 1462331348.56358409 DistributedAtomicCorrection (288.58149s) stopped
T12 >> 1462331348.56364799 Distribute overlap matrix (5303.32472s) started
T12 >> 1462331348.56367207 blocked summation (2960.18518s) started
T12 << 1462331353.16733694 blocked summation (2964.78885s) stopped
T12 >> 1462331353.17683411 Scalapack redistribute (2336.22295s) started
T12 << 1462331356.84513903 Scalapack redistribute (2339.89125s) stopped
T12 << 1462331356.84522104 Distribute overlap matrix (5311.60629s) stopped
T12 >> 1462331356.85021091 Blacs Orbital Layouts (38373.62253s) started
T12 >> 1462331356.85929203 General diagonalize (38220.54488s) started
T12 << 1462331413.10940099 General diagonalize (38276.79498s) stopped
T12 >> 1462331413.10945010 Redistribute coefs (5.84427s) started
T12 << 1462331413.11774492 Redistribute coefs (5.85257s) stopped
T12 >> 1462331413.11779094 Send coefs to domains (140.78713s) started
T12 << 1462331413.22858095 Send coefs to domains (140.89792s) stopped
T12 << 1462331413.22942805 Blacs Orbital Layouts (38430.00174s) stopped
T12 >> 1462331413.22946000 Calculate projections (1247.48934s) started
T12 << 1462331414.99722099 Calculate projections (1249.25711s) stopped
T12 << 1462331414.99770689 LCAO eigensolver (45969.37685s) stopped
T12 >> 1462331418.09750605 Density (10821.58042s) started
T12 >> 1462331418.09752107 Pseudo density (8347.48176s) started
T12 >> 1462331418.10141397 Calculate density matrix (7838.46270s) started
T12 << 1462331429.93639994 Calculate density matrix (7850.29769s) stopped
T12 >> 1462331429.93644905 Construct density (495.75194s) started
T12 << 1462331430.71509695 Construct density (496.53059s) stopped
T12 >> 1462331430.73196912 Symmetrize density (0.05604s) started
T12 << 1462331430.73202491 Symmetrize density (0.05610s) stopped
T12 << 1462331430.73444390 Pseudo density (8360.11869s) stopped
T12 >> 1462331430.73450208 Atomic density matrices (2183.74576s) started
T12 << 1462331434.23809099 Atomic density matrices (2187.24935s) stopped
T12 >> 1462331434.23812509 Multipole moments (8.08241s) started
T12 << 1462331434.25361800 Multipole moments (8.09790s) stopped
T12 >> 1462331434.25364900 Normalize (4.45546s) started
T12 << 1462331434.26271796 Normalize (4.46453s) stopped
T12 >> 1462331434.26276398 Mix (277.76299s) started
T12 << 1462331434.73948407 Mix (278.23971s) stopped
T12 << 1462331434.73953700 Density (10838.22245s) stopped
T12 >> 1462331434.73956299 Hamiltonian (32616.72064s) started
T12 >> 1462331434.73957801 vbar (17.58023s) started
T12 << 1462331434.76289797 vbar (17.60355s) stopped
T12 >> 1462331434.76298904 XC 3D grid (18590.99408s) started
T12 >> 1462331435.29218888 van der Waals (17955.72427s) started
T12 >> 1462331435.40503407 semilocal (3793.43890s) started
T12 << 1462331441.10868502 semilocal (3799.14255s) stopped
T12 >> 1462331441.18876290 redistribute (1930.21194s) started
T12 << 1462331442.24533892 redistribute (1931.26852s) stopped
T12 >> 1462331442.24540091 libvdwxc nonlocal (12106.82629s) started
T12 << 1462331460.48550296 libvdwxc nonlocal (12125.06639s) stopped
T12 >> 1462331460.48556805 redistribute (1931.26856s) started
T12 << 1462331462.27395391 redistribute (1933.05695s) stopped
T12 << 1462331462.27505994 van der Waals (17982.70714s) stopped
T12 << 1462331462.73540902 XC 3D grid (18618.96650s) stopped
T12 >> 1462331462.73545098 Poisson (3902.70989s) started
T12 << 1462331467.01051497 Poisson (3906.98495s) stopped
T12 >> 1462331467.01062799 Hartree integrate/restrict (244.88708s) started
T12 << 1462331467.05261803 Hartree integrate/restrict (244.92907s) stopped
T12 >> 1462331467.05267596 Hartree integrate/restrict (244.92911s) started
T12 << 1462331467.36423206 Hartree integrate/restrict (245.24067s) stopped
T12 >> 1462331467.36432099 Atomic (1571.37688s) started
T12 >> 1462331467.36613798 XC Correction (0.02184s) started
T12 << 1462331467.36615300 XC Correction (0.02186s) stopped
T12 << 1462331469.74731708 Atomic (1573.75987s) stopped
T12 >> 1462331469.74748802 Communicate (8288.91432s) started
T12 << 1462331486.74990296 Communicate (8305.91673s) stopped
T12 << 1462331486.74994111 Hamiltonian (32668.73102s) stopped
T12 >> 1462331486.74996710 LCAO eigensolver (45969.37687s) started
T12 >> 1462331486.74997997 Potential matrix (686.45422s) started
T12 << 1462331487.73121810 Potential matrix (687.43546s) stopped
T12 >> 1462331487.73128891 DistributedAtomicCorrection (288.58153s) started
T12 << 1462331488.18913007 DistributedAtomicCorrection (289.03937s) stopped
T12 >> 1462331488.18919206 Distribute overlap matrix (5311.60630s) started
T12 >> 1462331488.18921399 blocked summation (2964.78889s) started
T12 << 1462331492.80508399 blocked summation (2969.40476s) stopped
T12 >> 1462331492.81449509 Scalapack redistribute (2339.89131s) started
T12 << 1462331496.39827108 Scalapack redistribute (2343.47509s) stopped
T12 << 1462331496.39836502 Distribute overlap matrix (5319.81547s) stopped
T12 >> 1462331496.40297508 Blacs Orbital Layouts (38430.00176s) started
T12 >> 1462331496.41180611 General diagonalize (38276.79502s) started
T12 << 1462331551.56290293 General diagonalize (38331.94612s) stopped
T12 >> 1462331551.56295109 Redistribute coefs (5.85260s) started
T12 << 1462331551.57085490 Redistribute coefs (5.86050s) stopped
T12 >> 1462331551.57096004 Send coefs to domains (140.89796s) started
T12 << 1462331551.71482301 Send coefs to domains (141.04182s) stopped
T12 << 1462331551.71528101 Blacs Orbital Layouts (38485.31407s) stopped
T12 >> 1462331551.71530795 Calculate projections (1249.25716s) started
T12 << 1462331553.48572612 Calculate projections (1251.02757s) stopped
T12 << 1462331553.48609710 LCAO eigensolver (46036.11300s) stopped
T12 >> 1462331556.58500695 Density (10838.22246s) started
T12 >> 1462331556.58502197 Pseudo density (8360.11873s) started
T12 >> 1462331556.58763790 Calculate density matrix (7850.29772s) started
T12 << 1462331568.39558005 Calculate density matrix (7862.10566s) stopped
T12 >> 1462331568.39562893 Construct density (496.53064s) started
T12 << 1462331569.17609906 Construct density (497.31111s) stopped
T12 >> 1462331569.19251800 Symmetrize density (0.05611s) started
T12 << 1462331569.19257498 Symmetrize density (0.05617s) stopped
T12 << 1462331569.19501400 Pseudo density (8372.72872s) stopped
T12 >> 1462331569.19507003 Atomic density matrices (2187.24937s) started
T12 << 1462331572.62084007 Atomic density matrices (2190.67514s) stopped
T12 >> 1462331572.62087488 Multipole moments (8.09792s) started
T12 << 1462331572.63581800 Multipole moments (8.11286s) stopped
T12 >> 1462331572.63584709 Normalize (4.46456s) started
T12 << 1462331572.64249706 Normalize (4.47121s) stopped
T12 >> 1462331572.64254093 Mix (278.23976s) started
T12 << 1462331573.10924292 Mix (278.70646s) stopped
T12 << 1462331573.10931492 Density (10854.74677s) stopped
T12 >> 1462331573.10934401 Hamiltonian (32668.73103s) started
T12 >> 1462331573.10935998 vbar (17.60360s) started
T12 << 1462331573.14074802 vbar (17.63499s) stopped
T12 >> 1462331573.14090610 XC 3D grid (18618.96653s) started
T12 >> 1462331573.61386204 van der Waals (17982.70717s) started
T12 >> 1462331573.72690010 semilocal (3799.14265s) started
T12 << 1462331579.54723001 semilocal (3804.96298s) stopped
T12 >> 1462331579.62225795 redistribute (1933.05701s) started
T12 << 1462331580.60370302 redistribute (1934.03845s) stopped
T12 >> 1462331580.60374689 libvdwxc nonlocal (12125.06644s) started
T12 << 1462331599.17002797 libvdwxc nonlocal (12143.63273s) stopped
T12 >> 1462331599.17007494 redistribute (1934.03849s) started
T12 << 1462331600.89019608 redistribute (1935.75861s) stopped
T12 << 1462331600.89132905 van der Waals (18009.98464s) stopped
T12 << 1462331601.35518193 XC 3D grid (18647.18081s) stopped
T12 >> 1462331601.35522199 Poisson (3906.98504s) started
T12 << 1462331605.79229307 Poisson (3911.42211s) stopped
T12 >> 1462331605.79242110 Hartree integrate/restrict (245.24071s) started
T12 << 1462331605.83327699 Hartree integrate/restrict (245.28157s) stopped
T12 >> 1462331605.83345699 Hartree integrate/restrict (245.28169s) started
T12 << 1462331606.13773298 Hartree integrate/restrict (245.58597s) stopped
T12 >> 1462331606.13783503 Atomic (1573.75990s) started
T12 >> 1462331606.13974905 XC Correction (0.02187s) started
T12 << 1462331606.13976407 XC Correction (0.02188s) stopped
T12 << 1462331608.55581307 Atomic (1576.17787s) stopped
T12 >> 1462331608.55599403 Communicate (8305.91676s) started
T12 << 1462331625.49081898 Communicate (8322.85158s) stopped
T12 << 1462331625.49086595 Hamiltonian (32721.11256s) stopped
T12 >> 1462331625.49089289 LCAO eigensolver (46036.11302s) started
T12 >> 1462331625.49090695 Potential matrix (687.43550s) started
T12 << 1462331626.47300792 Potential matrix (688.41761s) stopped
T12 >> 1462331626.47308993 DistributedAtomicCorrection (289.03941s) started
T12 << 1462331626.93501306 DistributedAtomicCorrection (289.50133s) stopped
T12 >> 1462331626.93507600 Distribute overlap matrix (5319.81549s) started
T12 >> 1462331626.93510008 blocked summation (2969.40481s) started
T12 << 1462331631.52864194 blocked summation (2973.99835s) stopped
T12 >> 1462331631.53812599 Scalapack redistribute (2343.47514s) started
T12 << 1462331635.23845100 Scalapack redistribute (2347.17547s) stopped
T12 << 1462331635.23856401 Distribute overlap matrix (5328.11897s) stopped
T12 >> 1462331635.24343610 Blacs Orbital Layouts (38485.31409s) started
T12 >> 1462331635.25284290 General diagonalize (38331.94616s) started
T12 << 1462331691.93515801 General diagonalize (38388.62848s) stopped
T12 >> 1462331691.93521595 Redistribute coefs (5.86059s) started
T12 << 1462331691.94422698 Redistribute coefs (5.86960s) stopped
T12 >> 1462331691.94429994 Send coefs to domains (141.04185s) started
T12 << 1462331692.22415400 Send coefs to domains (141.32170s) stopped
T12 << 1462331692.22470093 Blacs Orbital Layouts (38542.29535s) stopped
T12 >> 1462331692.22473598 Calculate projections (1251.02762s) started
T12 << 1462331694.00505090 Calculate projections (1252.80794s) stopped
T12 << 1462331694.00542402 LCAO eigensolver (46104.62755s) stopped
T12 >> 1462331697.09494209 Density (10854.74678s) started
T12 >> 1462331697.09495807 Pseudo density (8372.72877s) started
T12 >> 1462331697.09750509 Calculate density matrix (7862.10570s) started
T12 << 1462331709.00769091 Calculate density matrix (7874.01588s) stopped
T12 >> 1462331709.00774693 Construct density (497.31116s) started
T12 << 1462331709.78722095 Construct density (498.09063s) stopped
T12 >> 1462331709.80151391 Symmetrize density (0.05619s) started
T12 << 1462331709.80158591 Symmetrize density (0.05626s) stopped
T12 << 1462331709.80369496 Pseudo density (8385.43751s) stopped
T12 >> 1462331709.80376506 Atomic density matrices (2190.67517s) started
T12 << 1462331713.27537799 Atomic density matrices (2194.14678s) stopped
T12 >> 1462331713.27541709 Multipole moments (8.11288s) started
T12 << 1462331713.29094911 Multipole moments (8.12841s) stopped
T12 >> 1462331713.29098392 Normalize (4.47124s) started
T12 << 1462331713.29722905 Normalize (4.47748s) stopped
T12 >> 1462331713.29729295 Mix (278.70653s) started
T12 << 1462331713.73777199 Mix (279.14701s) stopped
T12 << 1462331713.73782492 Density (10871.38966s) stopped
T12 >> 1462331713.73785710 Hamiltonian (32721.11257s) started
T12 >> 1462331713.73787189 vbar (17.63507s) started
T12 << 1462331713.76037192 vbar (17.65757s) stopped
T12 >> 1462331713.76051402 XC 3D grid (18647.18084s) started
T12 >> 1462331714.26257610 van der Waals (18009.98466s) started
T12 >> 1462331714.37384200 semilocal (3804.96307s) started
T12 << 1462331720.16299200 semilocal (3810.75222s) stopped
T12 >> 1462331720.23654604 redistribute (1935.75866s) started
T12 << 1462331721.23759699 redistribute (1936.75972s) stopped
T12 >> 1462331721.23764896 libvdwxc nonlocal (12143.63276s) started
T12 << 1462331739.28281403 libvdwxc nonlocal (12161.67793s) stopped
T12 >> 1462331739.28290200 redistribute (1936.75976s) started
T12 << 1462331741.29601502 redistribute (1938.77287s) stopped
T12 << 1462331741.29731011 van der Waals (18037.01940s) stopped
T12 << 1462331741.76068091 XC 3D grid (18675.18101s) stopped
T12 >> 1462331741.76074791 Poisson (3911.42220s) started
T12 << 1462331746.09835601 Poisson (3915.75981s) stopped
T12 >> 1462331746.09844995 Hartree integrate/restrict (245.58602s) started
T12 << 1462331746.13898802 Hartree integrate/restrict (245.62656s) stopped
T12 >> 1462331746.13907504 Hartree integrate/restrict (245.62661s) started
T12 << 1462331746.45198989 Hartree integrate/restrict (245.93952s) stopped
T12 >> 1462331746.45209002 Atomic (1576.17790s) started
T12 >> 1462331746.45396996 XC Correction (0.02189s) started
T12 << 1462331746.45398402 XC Correction (0.02191s) stopped
T12 << 1462331748.83674598 Atomic (1578.56255s) stopped
T12 >> 1462331748.83692408 Communicate (8322.85161s) started
T12 << 1462331765.82667208 Communicate (8339.84136s) stopped
T12 << 1462331765.82671499 Hamiltonian (32773.20143s) stopped
T12 >> 1462331765.82674193 LCAO eigensolver (46104.62757s) started
T12 >> 1462331765.82675600 Potential matrix (688.41765s) started
T12 << 1462331766.80497289 Potential matrix (689.39587s) stopped
T12 >> 1462331766.80505490 DistributedAtomicCorrection (289.50137s) started
T12 << 1462331767.26716495 DistributedAtomicCorrection (289.96348s) stopped
T12 >> 1462331767.26722908 Distribute overlap matrix (5328.11899s) started
T12 >> 1462331767.26725292 blocked summation (2973.99841s) started
T12 << 1462331771.89815497 blocked summation (2978.62931s) stopped
T12 >> 1462331771.90822911 Scalapack redistribute (2347.17554s) started
T12 << 1462331775.57277107 Scalapack redistribute (2350.84008s) stopped
T12 << 1462331775.57290602 Distribute overlap matrix (5336.42466s) stopped
T12 >> 1462331775.57692099 Blacs Orbital Layouts (38542.29537s) started
T12 >> 1462331775.58573294 General diagonalize (38388.62852s) started
T12 << 1462331830.85356808 General diagonalize (38443.89636s) stopped
T12 >> 1462331830.85365105 Redistribute coefs (5.86966s) started
T12 << 1462331830.86234999 Redistribute coefs (5.87836s) stopped
T12 >> 1462331830.86241794 Send coefs to domains (141.32175s) started
T12 << 1462331830.99490809 Send coefs to domains (141.45424s) stopped
T12 << 1462331830.99532509 Blacs Orbital Layouts (38597.71378s) stopped
T12 >> 1462331830.99538994 Calculate projections (1252.80799s) started
T12 << 1462331832.77628112 Calculate projections (1254.58888s) stopped
T12 << 1462331832.77666593 LCAO eigensolver (46171.57749s) stopped
T12 >> 1462331835.86035800 Density (10871.38968s) started
T12 >> 1462331835.86037397 Pseudo density (8385.43756s) started
T12 >> 1462331835.86263394 Calculate density matrix (7874.01593s) started
T12 << 1462331847.74391103 Calculate density matrix (7885.89720s) stopped
T12 >> 1462331847.74397111 Construct density (498.09069s) started
T12 << 1462331848.52515697 Construct density (498.87187s) stopped
T12 >> 1462331848.54026103 Symmetrize density (0.05628s) started
T12 << 1462331848.54033494 Symmetrize density (0.05635s) stopped
T12 << 1462331848.54242992 Pseudo density (8398.11962s) stopped
T12 >> 1462331848.54249597 Atomic density matrices (2194.14681s) started
T12 << 1462331851.95819592 Atomic density matrices (2197.56251s) stopped
T12 >> 1462331851.95823407 Multipole moments (8.12843s) started
T12 << 1462331851.97308993 Multipole moments (8.14329s) stopped
T12 >> 1462331851.97312307 Normalize (4.47753s) started
T12 << 1462331851.97949004 Normalize (4.48390s) stopped
T12 >> 1462331851.97955990 Mix (279.14706s) started
T12 << 1462331852.40330100 Mix (279.57080s) stopped
T12 << 1462331852.40337896 Density (10887.93270s) stopped
T12 >> 1462331852.40341306 Hamiltonian (32773.20144s) started
T12 >> 1462331852.40342999 vbar (17.65766s) started
T12 << 1462331852.42760396 vbar (17.68183s) stopped
T12 >> 1462331852.42767406 XC 3D grid (18675.18106s) started
T12 >> 1462331852.93182111 van der Waals (18037.01943s) started
T12 >> 1462331853.03853393 semilocal (3810.75231s) started
T12 << 1462331858.84260988 semilocal (3816.55638s) stopped
T12 >> 1462331858.92142200 redistribute (1938.77293s) started
T12 << 1462331859.88496494 redistribute (1939.73648s) stopped
T12 >> 1462331859.88503909 libvdwxc nonlocal (12161.67799s) started
T12 << 1462331877.99757099 libvdwxc nonlocal (12179.79053s) stopped
T12 >> 1462331877.99765491 redistribute (1939.73654s) started
T12 << 1462331880.19913697 redistribute (1941.93802s) stopped
T12 << 1462331880.20018411 van der Waals (18064.28779s) stopped
T12 << 1462331880.66281891 XC 3D grid (18703.41620s) stopped
T12 >> 1462331880.66288805 Poisson (3915.75988s) started
T12 << 1462331883.58426809 Poisson (3918.68126s) stopped
T12 >> 1462331883.58435607 Hartree integrate/restrict (245.93957s) started
T12 << 1462331883.62253499 Hartree integrate/restrict (245.97775s) stopped
T12 >> 1462331883.62262011 Hartree integrate/restrict (245.97781s) started
T12 << 1462331883.97752190 Hartree integrate/restrict (246.33271s) stopped
T12 >> 1462331883.97760606 Atomic (1578.56258s) started
T12 >> 1462331883.97953701 XC Correction (0.02192s) started
T12 << 1462331883.97955704 XC Correction (0.02194s) stopped
T12 << 1462331886.33350706 Atomic (1580.91848s) stopped
T12 >> 1462331886.33367896 Communicate (8339.84139s) started
T12 << 1462331903.37242007 Communicate (8356.88013s) stopped
T12 << 1462331903.37246299 Hamiltonian (32824.17049s) stopped
T12 >> 1462331903.37248993 LCAO eigensolver (46171.57751s) started
T12 >> 1462331903.37250400 Potential matrix (689.39591s) started
T12 << 1462331904.35038590 Potential matrix (690.37379s) stopped
T12 >> 1462331904.35046792 DistributedAtomicCorrection (289.96352s) started
T12 << 1462331904.82210112 DistributedAtomicCorrection (290.43515s) stopped
T12 >> 1462331904.82217097 Distribute overlap matrix (5336.42468s) started
T12 >> 1462331904.82219601 blocked summation (2978.62936s) started
T12 << 1462331909.41264510 blocked summation (2983.21981s) stopped
T12 >> 1462331909.42240596 Scalapack redistribute (2350.84015s) started
T12 << 1462331913.17245889 Scalapack redistribute (2354.59021s) stopped
T12 << 1462331913.17257810 Distribute overlap matrix (5344.77509s) stopped
T12 >> 1462331913.17696190 Blacs Orbital Layouts (38597.71380s) started
T12 >> 1462331913.18578696 General diagonalize (38443.89643s) started
T12 << 1462331970.11212802 General diagonalize (38500.82277s) stopped
T12 >> 1462331970.11221790 Redistribute coefs (5.87841s) started
T12 << 1462331970.12133002 Redistribute coefs (5.88753s) stopped
T12 >> 1462331970.12138104 Send coefs to domains (141.45428s) started
T12 << 1462331970.45894909 Send coefs to domains (141.79185s) stopped
T12 << 1462331970.45941401 Blacs Orbital Layouts (38654.99625s) stopped
T12 >> 1462331970.45948195 Calculate projections (1254.58894s) started
T12 << 1462331972.23858690 Calculate projections (1256.36804s) stopped
T12 << 1462331972.23897505 LCAO eigensolver (46240.44400s) stopped
T12 << 1462331975.31966209 SCF-cycle (92214.06117s) stopped
T12 >> 1462331977.33455801 Force calculation (4252.13543s) started
T12 >> 1462331977.33468604 LCAO forces (4206.01369s) started
T12 >> 1462331977.33507895 Initial (0.00122s) started
T12 << 1462331977.33508992 Initial (0.00123s) stopped
T12 >> 1462331977.34176993 Get density matrix (2195.04319s) started
T12 << 1462331986.49351501 Get density matrix (2204.19493s) stopped
T12 >> 1462331986.49356508 Potential (331.75869s) started
T12 << 1462331992.73612189 Potential (338.00125s) stopped
T12 >> 1462331992.73618007 Get density matrix (2204.19497s) started
T12 << 1462332024.21220303 Get density matrix (2235.67099s) stopped
T12 >> 1462332024.21227288 Prepare TCI loop (117.15690s) started
T12 >> 1462332024.21287799 Get neighbors (105.23070s) started
T12 << 1462332026.29776406 Get neighbors (107.31559s) stopped
T12 >> 1462332026.29894495 broadcast dH (11.86298s) started
T12 << 1462332026.45903707 broadcast dH (12.02307s) stopped
T12 << 1462332026.45908499 Prepare TCI loop (119.40371s) stopped
T12 >> 1462332026.45910501 Not so complicated loop (6.44084s) started
T12 << 1462332026.58336306 Not so complicated loop (6.56510s) stopped
T12 >> 1462332026.71342802 Complicated loop (1016.57571s) started
T12 << 1462332046.56968904 Complicated loop (1036.43197s) stopped
T12 >> 1462332046.57087302 Wait for sum (532.10513s) started
T12 << 1462332057.10564303 Wait for sum (542.63990s) stopped
T12 << 1462332057.10568190 LCAO forces (4285.78469s) stopped
T12 << 1462332058.00256705 Force calculation (4332.80344s) stopped
T12 >> 1462332058.02050495 Initialization (7094.51195s) started
T12 << 1462332058.02068210 Initialization (7094.51213s) stopped
T12 >> 1462332058.02093291 Initialization (7094.51214s) started
T12 << 1462332058.02107310 Initialization (7094.51228s) stopped
T12 >> 1462332058.02121496 Initialization (7094.51230s) started
T12 << 1462332058.02134895 Initialization (7094.51243s) stopped
T12 >> 1462332078.38307405 Initialization (7094.51245s) started
T12 >> 1462332078.45706201 Basic WFS set positions (4.85896s) started
T12 >> 1462332078.45708895 Redistribute (0.01485s) started
T12 << 1462332078.45722890 Redistribute (0.01499s) stopped
T12 << 1462332078.54978490 Basic WFS set positions (4.95168s) stopped
T12 >> 1462332078.54981589 Basis functions set positions (101.78504s) started
T12 << 1462332080.49136209 Basis functions set positions (103.72659s) stopped
T12 >> 1462332080.49244809 TCI: Calculate S, T, P (844.72202s) started
T12 << 1462332096.37879205 TCI: Calculate S, T, P (860.60837s) stopped
T12 >> 1462332096.37885499 blocked summation (1347.81715s) started
T12 << 1462332128.17909503 blocked summation (1379.61739s) stopped
T12 >> 1462332128.18886900 Scalapack redistribute (503.15343s) started
T12 << 1462332135.75248694 Scalapack redistribute (510.71705s) stopped
T12 >> 1462332135.75353003 blocked summation (1379.61743s) started
T12 << 1462332136.79104710 blocked summation (1380.65495s) stopped
T12 >> 1462332136.80073309 Scalapack redistribute (510.71711s) started
T12 << 1462332137.01090407 Scalapack redistribute (510.92728s) stopped
T12 >> 1462332137.01285505 Redistribute (0.11358s) started
T12 << 1462332137.01340103 Redistribute (0.11412s) stopped
T12 >> 1462332138.77637696 Redistribute (0.11414s) started
T12 << 1462332138.77687097 Redistribute (0.11464s) stopped
T12 >> 1462332138.80201602 LCAO WFS Initialize (4184.03509s) started
T12 >> 1462332138.80205703 Density initialize from wavefunctions (789.18479s) started
T12 >> 1462332138.80657196 Calculate density matrix (545.50486s) started
T12 << 1462332148.58958602 Calculate density matrix (555.28788s) stopped
T12 >> 1462332148.58964300 Construct density (41.56905s) started
T12 << 1462332149.36745906 Construct density (42.34686s) stopped
T12 >> 1462332149.38148189 Symmetrize density (0.00455s) started
T12 << 1462332149.38154697 Symmetrize density (0.00462s) stopped
T12 << 1462332153.16751409 Density initialize from wavefunctions (803.55025s) stopped
T12 >> 1462332153.16792703 Hamiltonian (3393.91943s) started
T12 >> 1462332153.16795707 vbar (1.54704s) started
T12 << 1462332153.19657493 vbar (1.57566s) stopped
T12 >> 1462332153.19674897 XC 3D grid (1594.55309s) started
T12 >> 1462332153.67711997 van der Waals (1540.28217s) started
T12 >> 1462332153.78827190 semilocal (324.45671s) started
T12 << 1462332159.53264999 semilocal (330.20109s) stopped
T12 >> 1462332159.62187409 redistribute (175.86845s) started
T12 << 1462332160.65556002 redistribute (176.90214s) stopped
T12 >> 1462332160.65561199 libvdwxc nonlocal (1029.22962s) started
T12 << 1462332178.97182202 libvdwxc nonlocal (1047.54583s) stopped
T12 >> 1462332178.97189689 redistribute (176.90218s) started
T12 << 1462332181.05949306 redistribute (178.98977s) stopped
T12 << 1462332181.06064010 van der Waals (1567.66569s) stopped
T12 << 1462332181.52606201 XC 3D grid (1622.88240s) stopped
T12 >> 1462332181.52611303 Poisson (812.50473s) started
T12 << 1462332191.85118794 Poisson (822.82980s) stopped
T12 >> 1462332191.85128188 Hartree integrate/restrict (20.92889s) started
T12 << 1462332191.89106297 Hartree integrate/restrict (20.96867s) stopped
T12 >> 1462332191.89116096 Hartree integrate/restrict (20.96873s) started
T12 << 1462332192.22184396 Hartree integrate/restrict (21.29941s) stopped
T12 >> 1462332192.22194505 Atomic (132.77960s) started
T12 >> 1462332192.22416592 XC Correction (0.00206s) started
T12 << 1462332192.22418094 XC Correction (0.00207s) stopped
T12 << 1462332194.64059997 Atomic (135.19826s) stopped
T12 >> 1462332194.64078808 Communicate (831.55798s) started
T12 << 1462332212.96228790 Communicate (849.87948s) stopped
T12 << 1462332212.96232605 Hamiltonian (3453.71383s) stopped
T12 << 1462332212.96234107 LCAO WFS Initialize (4258.19541s) stopped
T12 << 1462332212.97479606 Initialization (7229.10417s) stopped
T12 >> 1462332213.00180888 SCF-cycle (92214.06119s) started
T12 >> 1462332213.00185299 LCAO eigensolver (46240.44402s) started
T12 >> 1462332213.00186610 Potential matrix (690.37384s) started
T12 << 1462332213.97990894 Potential matrix (691.35188s) stopped
T12 >> 1462332213.97999096 DistributedAtomicCorrection (290.43519s) started
T12 << 1462332214.41581297 DistributedAtomicCorrection (290.87102s) stopped
T12 >> 1462332214.41586304 Distribute overlap matrix (5344.77510s) started
T12 >> 1462332214.41589499 blocked summation (2983.21985s) started
T12 << 1462332218.99668908 blocked summation (2987.80064s) stopped
T12 >> 1462332219.00632191 Scalapack redistribute (2354.59027s) started
T12 << 1462332222.58533406 Scalapack redistribute (2358.16929s) stopped
T12 << 1462332222.58543992 Distribute overlap matrix (5352.94468s) stopped
T12 >> 1462332222.58987904 Blacs Orbital Layouts (38654.99627s) started
T12 >> 1462332222.59803891 General diagonalize (38500.82285s) started
T12 << 1462332278.65906191 General diagonalize (38556.88387s) stopped
T12 >> 1462332278.65911508 Redistribute coefs (5.88756s) started
T12 << 1462332278.66740394 Redistribute coefs (5.89585s) stopped
T12 >> 1462332278.66745210 Send coefs to domains (141.79189s) started
T12 << 1462332278.96250296 Send coefs to domains (142.08694s) stopped
T12 << 1462332278.96274710 Blacs Orbital Layouts (38711.36914s) stopped
T12 >> 1462332278.96277690 Calculate projections (1256.36810s) started
T12 << 1462332280.74079204 Calculate projections (1258.14612s) stopped
T12 << 1462332280.74101591 LCAO eigensolver (46308.18318s) stopped
T12 >> 1462332283.81711602 Density (10887.93272s) started
T12 >> 1462332283.81713104 Pseudo density (8398.11967s) started
T12 >> 1462332283.82022309 Calculate density matrix (7885.89724s) started
T12 << 1462332295.78813004 Calculate density matrix (7897.86515s) stopped
T12 >> 1462332295.78818798 Construct density (498.87193s) started
T12 << 1462332296.56947088 Construct density (499.65321s) stopped
T12 >> 1462332296.58336711 Symmetrize density (0.05637s) started
T12 << 1462332296.58344197 Symmetrize density (0.05645s) stopped
T12 << 1462332296.58542895 Pseudo density (8410.88797s) stopped
T12 >> 1462332296.58549809 Atomic density matrices (2197.56254s) started
T12 << 1462332300.06636691 Atomic density matrices (2201.04341s) stopped
T12 >> 1462332300.06640291 Multipole moments (8.14330s) started
T12 << 1462332300.08142805 Multipole moments (8.15833s) stopped
T12 >> 1462332300.08147907 Normalize (4.48395s) started
T12 << 1462332300.08757710 Normalize (4.49004s) stopped
T12 >> 1462332300.08766699 Mix (279.57088s) started
T12 << 1462332300.44502306 Mix (279.92824s) stopped
T12 << 1462332300.44511199 Density (10904.56071s) stopped
T12 >> 1462332300.44514608 Hamiltonian (32824.17051s) started
T12 >> 1462332300.44516206 vbar (17.68186s) started
T12 << 1462332300.47536492 vbar (17.71207s) stopped
T12 >> 1462332300.47544408 XC 3D grid (18703.41626s) started
T12 >> 1462332301.02952290 van der Waals (18064.28782s) started
T12 >> 1462332301.14112806 semilocal (3816.55646s) started
T12 << 1462332306.89701295 semilocal (3822.31235s) stopped
T12 >> 1462332306.97549796 redistribute (1941.93809s) started
T12 << 1462332308.04542208 redistribute (1943.00801s) stopped
T12 >> 1462332308.04547310 libvdwxc nonlocal (12179.79059s) started
T12 << 1462332326.07757211 libvdwxc nonlocal (12197.82269s) stopped
T12 >> 1462332326.07765603 redistribute (1943.00805s) started
T12 << 1462332328.18776608 redistribute (1945.11816s) stopped
T12 << 1462332328.18905306 van der Waals (18091.44735s) stopped
T12 << 1462332328.65341496 XC 3D grid (18731.59423s) stopped
T12 >> 1462332328.65346289 Poisson (3918.68132s) started
T12 << 1462332333.02107692 Poisson (3923.04893s) stopped
T12 >> 1462332333.02116299 Hartree integrate/restrict (246.33275s) started
T12 << 1462332333.05986094 Hartree integrate/restrict (246.37144s) stopped
T12 >> 1462332333.05999303 Hartree integrate/restrict (246.37153s) started
T12 << 1462332333.40651798 Hartree integrate/restrict (246.71806s) stopped
T12 >> 1462332333.40662408 Atomic (1580.91851s) started
T12 >> 1462332333.40879202 XC Correction (0.02195s) started
T12 << 1462332333.40881705 XC Correction (0.02198s) stopped
T12 << 1462332335.78678012 Atomic (1583.29866s) stopped
T12 >> 1462332335.78697801 Communicate (8356.88016s) started
T12 << 1462332354.07968092 Communicate (8375.17286s) stopped
T12 << 1462332354.07971907 Hamiltonian (32877.80508s) stopped
T12 >> 1462332354.07974410 LCAO eigensolver (46308.18320s) started
T12 >> 1462332354.07975698 Potential matrix (691.35193s) started
T12 << 1462332355.05724001 Potential matrix (692.32941s) stopped
T12 >> 1462332355.05732298 DistributedAtomicCorrection (290.87106s) started
T12 << 1462332355.50719595 DistributedAtomicCorrection (291.32093s) stopped
T12 >> 1462332355.50724602 Distribute overlap matrix (5352.94469s) started
T12 >> 1462332355.50728011 blocked summation (2987.80068s) started
T12 << 1462332360.05430198 blocked summation (2992.34770s) stopped
T12 >> 1462332360.06420994 Scalapack redistribute (2358.16935s) started
T12 << 1462332363.68083906 Scalapack redistribute (2361.78598s) stopped
T12 << 1462332363.68094707 Distribute overlap matrix (5361.11839s) stopped
T12 >> 1462332363.68549609 Blacs Orbital Layouts (38711.36916s) started
T12 >> 1462332363.69367599 General diagonalize (38556.88392s) started
T12 << 1462332416.42092299 General diagonalize (38609.61116s) stopped
T12 >> 1462332416.42097497 Redistribute coefs (5.89589s) started
T12 << 1462332416.42923307 Redistribute coefs (5.90415s) stopped
T12 >> 1462332416.42930007 Send coefs to domains (142.08698s) started
T12 << 1462332416.56349111 Send coefs to domains (142.22117s) stopped
T12 << 1462332416.56370211 Blacs Orbital Layouts (38764.24736s) stopped
T12 >> 1462332416.56373096 Calculate projections (1258.14617s) started
T12 << 1462332418.34184098 Calculate projections (1259.92428s) stopped
T12 << 1462332418.34225512 LCAO eigensolver (46372.44571s) stopped
T12 >> 1462332421.42018509 Density (10904.56073s) started
T12 >> 1462332421.42020011 Pseudo density (8410.88802s) started
T12 >> 1462332421.42273998 Calculate density matrix (7897.86519s) started
T12 << 1462332433.43899012 Calculate density matrix (7909.88144s) stopped
T12 >> 1462332433.43904805 Construct density (499.65327s) started
T12 << 1462332434.22098303 Construct density (500.43521s) stopped
T12 >> 1462332434.23494196 Symmetrize density (0.05647s) started
T12 << 1462332434.23501706 Symmetrize density (0.05654s) stopped
T12 << 1462332434.23699498 Pseudo density (8423.70482s) stopped
T12 >> 1462332434.23706388 Atomic density matrices (2201.04343s) started
T12 << 1462332437.74026799 Atomic density matrices (2204.54664s) stopped
T12 >> 1462332437.74030399 Multipole moments (8.15837s) started
T12 << 1462332437.75527596 Multipole moments (8.17334s) stopped
T12 >> 1462332437.75530005 Normalize (4.49011s) started
T12 << 1462332437.76148796 Normalize (4.49630s) stopped
T12 >> 1462332437.76155901 Mix (279.92832s) started
T12 << 1462332438.09323907 Mix (280.26000s) stopped
T12 << 1462332438.09332204 Density (10921.23387s) stopped
T12 >> 1462332438.09335589 Hamiltonian (32877.80509s) started
T12 >> 1462332438.09337306 vbar (17.71210s) started
T12 << 1462332438.12481999 vbar (17.74355s) stopped
T12 >> 1462332438.12495089 XC 3D grid (18731.59427s) started
T12 >> 1462332438.70627093 van der Waals (18091.44738s) started
T12 >> 1462332438.81631899 semilocal (3822.31243s) started
T12 << 1462332444.47832608 semilocal (3827.97443s) stopped
T12 >> 1462332444.56725597 redistribute (1945.11822s) started
T12 << 1462332445.68007898 redistribute (1946.23104s) stopped
T12 >> 1462332445.68015194 libvdwxc nonlocal (12197.82275s) started
T12 << 1462332463.88566494 libvdwxc nonlocal (12216.02826s) stopped
T12 >> 1462332463.88573098 redistribute (1946.23110s) started
T12 << 1462332465.83110499 redistribute (1948.17647s) stopped
T12 << 1462332465.83227992 van der Waals (18118.57339s) stopped
T12 << 1462332466.29715300 XC 3D grid (18759.76647s) stopped
T12 >> 1462332466.29722309 Poisson (3923.04899s) started
T12 << 1462332472.07400107 Poisson (3928.82577s) stopped
T12 >> 1462332472.07410789 Hartree integrate/restrict (246.71811s) started
T12 << 1462332472.11575508 Hartree integrate/restrict (246.75976s) stopped
T12 >> 1462332472.11587310 Hartree integrate/restrict (246.75984s) started
T12 << 1462332472.43876600 Hartree integrate/restrict (247.08274s) stopped
T12 >> 1462332472.43886304 Atomic (1583.29869s) started
T12 >> 1462332472.44081306 XC Correction (0.02200s) started
T12 << 1462332472.44083810 XC Correction (0.02202s) stopped
T12 << 1462332474.83034301 Atomic (1585.69017s) stopped
T12 >> 1462332474.83054090 Communicate (8375.17289s) started
T12 << 1462332493.27989197 Communicate (8393.62224s) stopped
T12 << 1462332493.27993488 Hamiltonian (32932.99167s) stopped
T12 >> 1462332493.27996302 LCAO eigensolver (46372.44573s) started
T12 >> 1462332493.27997589 Potential matrix (692.32946s) started
T12 << 1462332494.26408696 Potential matrix (693.31357s) stopped
T12 >> 1462332494.26416898 DistributedAtomicCorrection (291.32097s) started
T12 << 1462332494.73478103 DistributedAtomicCorrection (291.79158s) stopped
T12 >> 1462332494.73482800 Distribute overlap matrix (5361.11840s) started
T12 >> 1462332494.73486710 blocked summation (2992.34774s) started
T12 << 1462332499.24092388 blocked summation (2996.85379s) stopped
T12 >> 1462332499.25195789 Scalapack redistribute (2361.78604s) started
T12 << 1462332502.89785290 Scalapack redistribute (2365.43193s) stopped
T12 << 1462332502.89797902 Distribute overlap matrix (5369.28155s) stopped
T12 >> 1462332502.90205312 Blacs Orbital Layouts (38764.24738s) started
T12 >> 1462332502.91020894 General diagonalize (38609.61121s) started
T12 << 1462332556.06401110 General diagonalize (38662.76501s) stopped
T12 >> 1462332556.06406689 Redistribute coefs (5.90420s) started
T12 << 1462332556.07204890 Redistribute coefs (5.91218s) stopped
T12 >> 1462332556.07209897 Send coefs to domains (142.22121s) started
T12 << 1462332556.36515594 Send coefs to domains (142.51426s) stopped
T12 << 1462332556.36537790 Blacs Orbital Layouts (38817.71071s) stopped
T12 >> 1462332556.36540794 Calculate projections (1259.92433s) started
T12 << 1462332558.14369988 Calculate projections (1261.70263s) stopped
T12 << 1462332558.14409304 LCAO eigensolver (46437.30986s) stopped
T12 >> 1462332561.19727206 Density (10921.23388s) started
T12 >> 1462332561.19728804 Pseudo density (8423.70487s) started
T12 >> 1462332561.20016289 Calculate density matrix (7909.88148s) started
T12 << 1462332573.08531404 Calculate density matrix (7921.76663s) stopped
T12 >> 1462332573.08537197 Construct density (500.43527s) started
T12 << 1462332573.86718106 Construct density (501.21708s) stopped
T12 >> 1462332573.88207698 Symmetrize density (0.05656s) started
T12 << 1462332573.88215303 Symmetrize density (0.05664s) stopped
T12 << 1462332573.88417697 Pseudo density (8436.39176s) stopped
T12 >> 1462332573.88424706 Atomic density matrices (2204.54667s) started
T12 << 1462332577.39180899 Atomic density matrices (2208.05423s) stopped
T12 >> 1462332577.39184809 Multipole moments (8.17336s) started
T12 << 1462332577.40680003 Multipole moments (8.18831s) stopped
T12 >> 1462332577.40683794 Normalize (4.49635s) started
T12 << 1462332577.41303611 Normalize (4.50255s) stopped
T12 >> 1462332577.41309500 Mix (280.26008s) started
T12 << 1462332577.78791690 Mix (280.63490s) stopped
T12 << 1462332577.78799605 Density (10937.82461s) stopped
T12 >> 1462332577.78803110 Hamiltonian (32932.99169s) started
T12 >> 1462332577.78804708 vbar (17.74363s) started
T12 << 1462332577.81215310 vbar (17.76773s) stopped
T12 >> 1462332577.81225109 XC 3D grid (18759.76653s) started
T12 >> 1462332578.30584788 van der Waals (18118.57342s) started
T12 >> 1462332578.41798091 semilocal (3827.97456s) started
T12 << 1462332584.08396292 semilocal (3833.64054s) stopped
T12 >> 1462332584.17430806 redistribute (1948.17654s) started
T12 << 1462332585.32309794 redistribute (1949.32533s) stopped
T12 >> 1462332585.32314801 libvdwxc nonlocal (12216.02832s) started
T12 << 1462332603.59318209 libvdwxc nonlocal (12234.29835s) stopped
T12 >> 1462332603.59326506 redistribute (1949.32537s) started
T12 << 1462332605.65340495 redistribute (1951.38551s) stopped
T12 << 1462332605.65450907 van der Waals (18145.92208s) stopped
T12 << 1462332606.11843491 XC 3D grid (18788.07271s) stopped
T12 >> 1462332606.11849904 Poisson (3928.82585s) started
T12 << 1462332612.05555391 Poisson (3934.76291s) stopped
T12 >> 1462332612.05572391 Hartree integrate/restrict (247.08278s) started
T12 << 1462332612.09429789 Hartree integrate/restrict (247.12136s) stopped
T12 >> 1462332612.09447098 Hartree integrate/restrict (247.12147s) started
T12 << 1462332612.42756796 Hartree integrate/restrict (247.45457s) stopped
T12 >> 1462332612.42766309 Atomic (1585.69020s) started
T12 >> 1462332612.42953396 XC Correction (0.02203s) started
T12 << 1462332612.42954898 XC Correction (0.02205s) stopped
T12 << 1462332614.81570911 Atomic (1588.07824s) stopped
T12 >> 1462332614.81591702 Communicate (8393.62227s) started
T12 << 1462332633.11934495 Communicate (8411.92570s) stopped
T12 << 1462332633.11938691 Hamiltonian (32988.32304s) stopped
T12 >> 1462332633.11941504 LCAO eigensolver (46437.30988s) started
T12 >> 1462332633.11942911 Potential matrix (693.31361s) started
T12 << 1462332634.10108399 Potential matrix (694.29527s) stopped
T12 >> 1462332634.10118008 DistributedAtomicCorrection (291.79162s) started
T12 << 1462332634.55216503 DistributedAtomicCorrection (292.24261s) stopped
T12 >> 1462332634.55221510 Distribute overlap matrix (5369.28157s) started
T12 >> 1462332634.55225396 blocked summation (2996.85385s) started
T12 << 1462332639.15651107 blocked summation (3001.45811s) stopped
T12 >> 1462332639.16595793 Scalapack redistribute (2365.43200s) started
T12 << 1462332642.71130300 Scalapack redistribute (2368.97735s) stopped
T12 << 1462332642.71139503 Distribute overlap matrix (5377.44075s) stopped
T12 >> 1462332642.71586895 Blacs Orbital Layouts (38817.71073s) started
T12 >> 1462332642.72408700 General diagonalize (38662.76506s) started
T12 << 1462332698.44702005 General diagonalize (38718.48799s) stopped
T12 >> 1462332698.44706607 Redistribute coefs (5.91222s) started
T12 << 1462332698.45435596 Redistribute coefs (5.91951s) stopped
T12 >> 1462332698.45444608 Send coefs to domains (142.51431s) started
T12 << 1462332698.65649390 Send coefs to domains (142.71636s) stopped
T12 << 1462332698.65673900 Blacs Orbital Layouts (38873.65160s) stopped
T12 >> 1462332698.65676594 Calculate projections (1261.70268s) started
T12 << 1462332700.42576790 Calculate projections (1263.47168s) stopped
T12 << 1462332700.42600608 LCAO eigensolver (46504.61647s) stopped
T12 >> 1462332703.49285889 Density (10937.82462s) started
T12 >> 1462332703.49287510 Pseudo density (8436.39181s) started
T12 >> 1462332703.49621296 Calculate density matrix (7921.76667s) started
T12 << 1462332715.37232709 Calculate density matrix (7933.64278s) stopped
T12 >> 1462332715.37237406 Construct density (501.21713s) started
T12 << 1462332716.15316391 Construct density (501.99792s) stopped
T12 >> 1462332716.16941595 Symmetrize density (0.05665s) started
T12 << 1462332716.16948104 Symmetrize density (0.05672s) stopped
T12 << 1462332716.17193699 Pseudo density (8449.07088s) stopped
T12 >> 1462332716.17199612 Atomic density matrices (2208.05426s) started
T12 << 1462332719.70182204 Atomic density matrices (2211.58408s) stopped
T12 >> 1462332719.70185399 Multipole moments (8.18833s) started
T12 << 1462332719.71692801 Multipole moments (8.20340s) stopped
T12 >> 1462332719.71695995 Normalize (4.50259s) started
T12 << 1462332719.72360492 Normalize (4.50924s) stopped
T12 >> 1462332719.72364306 Mix (280.63498s) started
T12 << 1462332720.11741304 Mix (281.02875s) stopped
T12 << 1462332720.11747789 Density (10954.44924s) stopped
T12 >> 1462332720.11750889 Hamiltonian (32988.32306s) started
T12 >> 1462332720.11752510 vbar (17.76779s) started
T12 << 1462332720.14202094 vbar (17.79229s) stopped
T12 >> 1462332720.14211512 XC 3D grid (18788.07276s) started
T12 >> 1462332720.70290089 van der Waals (18145.92211s) started
T12 >> 1462332720.81708908 semilocal (3833.64067s) started
T12 << 1462332726.63775492 semilocal (3839.46134s) stopped
T12 >> 1462332726.71843696 redistribute (1951.38555s) started
T12 << 1462332727.70541310 redistribute (1952.37253s) stopped
T12 >> 1462332727.70547009 libvdwxc nonlocal (12234.29841s) started
T12 << 1462332746.65157509 libvdwxc nonlocal (12253.24452s) stopped
T12 >> 1462332746.65164208 redistribute (1952.37256s) started
T12 << 1462332748.33771706 redistribute (1954.05863s) stopped
T12 << 1462332748.33858490 van der Waals (18173.55780s) stopped
T12 << 1462332748.81396794 XC 3D grid (18816.74462s) stopped
T12 >> 1462332748.81402802 Poisson (3934.76304s) started
T12 << 1462332753.37229705 Poisson (3939.32131s) stopped
T12 >> 1462332753.37242889 Hartree integrate/restrict (247.45461s) started
T12 << 1462332753.42415404 Hartree integrate/restrict (247.50634s) stopped
T12 >> 1462332753.42421198 Hartree integrate/restrict (247.50638s) started
T12 << 1462332753.76469207 Hartree integrate/restrict (247.84686s) stopped
T12 >> 1462332753.76480889 Atomic (1588.07827s) started
T12 >> 1462332753.76664495 XC Correction (0.02206s) started
T12 << 1462332753.76666307 XC Correction (0.02208s) stopped
T12 << 1462332756.13561511 Atomic (1590.44907s) stopped
T12 >> 1462332756.13579607 Communicate (8411.92572s) started
T12 << 1462332773.67250609 Communicate (8429.46243s) stopped
T12 << 1462332773.67254305 Hamiltonian (33041.87809s) stopped
T12 >> 1462332773.67256808 LCAO eigensolver (46504.61649s) started
T12 >> 1462332773.67258096 Potential matrix (694.29532s) started
T12 << 1462332774.65496492 Potential matrix (695.27771s) stopped
T12 >> 1462332774.65503597 DistributedAtomicCorrection (292.24265s) started
T12 << 1462332775.10462689 DistributedAtomicCorrection (292.69224s) stopped
T12 >> 1462332775.10469198 Distribute overlap matrix (5377.44076s) started
T12 >> 1462332775.10471392 blocked summation (3001.45816s) started
T12 << 1462332779.72069812 blocked summation (3006.07415s) stopped
T12 >> 1462332779.72997594 Scalapack redistribute (2368.97741s) started
T12 << 1462332783.27456808 Scalapack redistribute (2372.52201s) stopped
T12 << 1462332783.27465391 Distribute overlap matrix (5385.61072s) stopped
T12 >> 1462332783.27921200 Blacs Orbital Layouts (38873.65162s) started
T12 >> 1462332783.28723311 General diagonalize (38718.48803s) started
T12 << 1462332837.75964594 General diagonalize (38772.96044s) stopped
T12 >> 1462332837.75969195 Redistribute coefs (5.91958s) started
T12 << 1462332837.76694393 Redistribute coefs (5.92683s) stopped
T12 >> 1462332837.76704693 Send coefs to domains (142.71639s) started
T12 << 1462332837.93273497 Send coefs to domains (142.88208s) stopped
T12 << 1462332837.93291497 Blacs Orbital Layouts (38928.30532s) stopped
T12 >> 1462332837.93297005 Calculate projections (1263.47174s) started
T12 << 1462332839.69991589 Calculate projections (1265.23868s) stopped
T12 << 1462332839.70010996 LCAO eigensolver (46570.64403s) stopped
T12 >> 1462332842.79292893 Density (10954.44926s) started
T12 >> 1462332842.79294491 Pseudo density (8449.07092s) started
T12 >> 1462332842.79609394 Calculate density matrix (7933.64281s) started
T12 << 1462332854.64246392 Calculate density matrix (7945.48918s) stopped
T12 >> 1462332854.64251208 Construct density (501.99797s) started
T12 << 1462332855.42406988 Construct density (502.77953s) stopped
T12 >> 1462332855.44046092 Symmetrize density (0.05674s) started
T12 << 1462332855.44052911 Symmetrize density (0.05680s) stopped
T12 << 1462332855.44297409 Pseudo density (8461.72095s) stopped
T12 >> 1462332855.44303298 Atomic density matrices (2211.58411s) started
T12 << 1462332858.98168898 Atomic density matrices (2215.12277s) stopped
T12 >> 1462332858.98172212 Multipole moments (8.20342s) started
T12 << 1462332858.99669790 Multipole moments (8.21840s) stopped
T12 >> 1462332858.99672890 Normalize (4.50926s) started
T12 << 1462332859.00326490 Normalize (4.51580s) stopped
T12 >> 1462332859.00330210 Mix (281.02882s) started
T12 << 1462332859.42863107 Mix (281.45414s) stopped
T12 << 1462332859.42870498 Density (10971.08503s) stopped
T12 >> 1462332859.42873192 Hamiltonian (33041.87810s) started
T12 >> 1462332859.42874599 vbar (17.79234s) started
T12 << 1462332859.45102191 vbar (17.81462s) stopped
T12 >> 1462332859.45114207 XC 3D grid (18816.74467s) started
T12 >> 1462332859.96552896 van der Waals (18173.55782s) started
T12 >> 1462332860.07863402 semilocal (3839.46144s) started
T12 << 1462332865.83257389 semilocal (3845.21538s) stopped
T12 >> 1462332865.90499401 redistribute (1954.05869s) started
T12 << 1462332866.94621301 redistribute (1955.09991s) stopped
T12 >> 1462332866.94626808 libvdwxc nonlocal (12253.24457s) started
T12 << 1462332885.62998104 libvdwxc nonlocal (12271.92828s) stopped
T12 >> 1462332885.63004589 redistribute (1955.09994s) started
T12 << 1462332887.45724201 redistribute (1956.92714s) stopped
T12 << 1462332887.45808005 van der Waals (18201.05037s) stopped
T12 << 1462332887.92831302 XC 3D grid (18845.22184s) stopped
T12 >> 1462332887.92836404 Poisson (3939.32142s) started
T12 << 1462332893.73798990 Poisson (3945.13104s) stopped
T12 >> 1462332893.73808193 Hartree integrate/restrict (247.84691s) started
T12 << 1462332893.78213191 Hartree integrate/restrict (247.89096s) stopped
T12 >> 1462332893.78220391 Hartree integrate/restrict (247.89101s) started
T12 << 1462332894.11856008 Hartree integrate/restrict (248.22736s) stopped
T12 >> 1462332894.11863804 Atomic (1590.44910s) started
T12 >> 1462332894.12068009 XC Correction (0.02209s) started
T12 << 1462332894.12071800 XC Correction (0.02213s) stopped
T12 << 1462332896.51257706 Atomic (1592.84303s) stopped
T12 >> 1462332896.51274896 Communicate (8429.46246s) started
T12 << 1462332913.18914795 Communicate (8446.13885s) stopped
T12 << 1462332913.18918610 Hamiltonian (33095.63856s) stopped
T12 >> 1462332913.18921208 LCAO eigensolver (46570.64405s) started
T12 >> 1462332913.18922496 Potential matrix (695.27775s) started
T12 << 1462332914.16712189 Potential matrix (696.25565s) stopped
T12 >> 1462332914.16719389 DistributedAtomicCorrection (292.69228s) started
T12 << 1462332914.61761189 DistributedAtomicCorrection (293.14269s) stopped
T12 >> 1462332914.61767507 Distribute overlap matrix (5385.61073s) started
T12 >> 1462332914.61769605 blocked summation (3006.07418s) started
T12 << 1462332919.18467307 blocked summation (3010.64115s) stopped
T12 >> 1462332919.19372106 Scalapack redistribute (2372.52206s) started
T12 << 1462332922.68737602 Scalapack redistribute (2376.01572s) stopped
T12 << 1462332922.68744898 Distribute overlap matrix (5393.68051s) stopped
T12 >> 1462332922.69233489 Blacs Orbital Layouts (38928.30534s) started
T12 >> 1462332922.70046902 General diagonalize (38772.96048s) started
T12 << 1462332977.62060905 General diagonalize (38827.88062s) stopped
T12 >> 1462332977.62068105 Redistribute coefs (5.92692s) started
T12 << 1462332977.62946510 Redistribute coefs (5.93570s) stopped
T12 >> 1462332977.62951803 Send coefs to domains (142.88211s) started
T12 << 1462332977.75414395 Send coefs to domains (143.00674s) stopped
T12 << 1462332977.75445199 Blacs Orbital Layouts (38983.36746s) stopped
T12 >> 1462332977.75448704 Calculate projections (1265.23873s) started
T12 << 1462332979.53739905 Calculate projections (1267.02164s) stopped
T12 << 1462332979.53764606 LCAO eigensolver (46636.99248s) stopped
T12 >> 1462332982.59562397 Density (10971.08505s) started
T12 >> 1462332982.59563994 Pseudo density (8461.72100s) started
T12 >> 1462332982.59859300 Calculate density matrix (7945.48922s) started
T12 << 1462332994.52594495 Calculate density matrix (7957.41657s) stopped
T12 >> 1462332994.52600098 Construct density (502.77959s) started
T12 << 1462332995.30786300 Construct density (503.56145s) stopped
T12 >> 1462332995.32199502 Symmetrize density (0.05682s) started
T12 << 1462332995.32206988 Symmetrize density (0.05690s) stopped
T12 << 1462332995.32417488 Pseudo density (8474.44954s) stopped
T12 >> 1462332995.32424307 Atomic density matrices (2215.12279s) started
T12 << 1462332998.84728599 Atomic density matrices (2218.64583s) stopped
T12 >> 1462332998.84732509 Multipole moments (8.21841s) started
T12 << 1462332998.86219597 Multipole moments (8.23328s) stopped
T12 >> 1462332998.86223102 Normalize (4.51583s) started
T12 << 1462332998.86869001 Normalize (4.52229s) stopped
T12 >> 1462332998.86881900 Mix (281.45423s) started
T12 << 1462332999.28146911 Mix (281.86688s) stopped
T12 << 1462332999.28157806 Density (10987.77100s) stopped
T12 >> 1462332999.28162003 Hamiltonian (33095.63857s) started
T12 >> 1462332999.28163791 vbar (17.81469s) started
T12 << 1462332999.31964111 vbar (17.85269s) stopped
T12 >> 1462332999.31975198 XC 3D grid (18845.22188s) started
T12 >> 1462332999.82537389 van der Waals (18201.05040s) started
T12 >> 1462332999.93624401 semilocal (3845.21546s) started
T12 << 1462333005.67840910 semilocal (3850.95762s) stopped
T12 >> 1462333005.75612998 redistribute (1956.92719s) started
T12 << 1462333006.80593491 redistribute (1957.97700s) stopped
T12 >> 1462333006.80598593 libvdwxc nonlocal (12271.92833s) started
T12 << 1462333025.01426911 libvdwxc nonlocal (12290.13661s) stopped
T12 >> 1462333025.01432705 redistribute (1957.97704s) started
T12 << 1462333026.93694997 redistribute (1959.89966s) stopped
T12 << 1462333026.93822694 van der Waals (18228.16325s) stopped
T12 << 1462333027.40209103 XC 3D grid (18873.30422s) stopped
T12 >> 1462333027.40214205 Poisson (3945.13110s) started
T12 << 1462333031.70979595 Poisson (3949.43876s) stopped
T12 >> 1462333031.70987797 Hartree integrate/restrict (248.22740s) started
T12 << 1462333031.75202894 Hartree integrate/restrict (248.26955s) stopped
T12 >> 1462333031.75209808 Hartree integrate/restrict (248.26959s) started
T12 << 1462333032.08439493 Hartree integrate/restrict (248.60189s) stopped
T12 >> 1462333032.08450007 Atomic (1592.84306s) started
T12 >> 1462333032.08649492 XC Correction (0.02214s) started
T12 << 1462333032.08651304 XC Correction (0.02216s) stopped
T12 << 1462333034.49194002 Atomic (1595.25050s) stopped
T12 >> 1462333034.49213290 Communicate (8446.13888s) started
T12 << 1462333051.25901389 Communicate (8462.90576s) stopped
T12 << 1462333051.25905800 Hamiltonian (33147.61601s) stopped
T12 >> 1462333051.25908709 LCAO eigensolver (46636.99250s) started
T12 >> 1462333051.25910091 Potential matrix (696.25569s) started
T12 << 1462333052.24245405 Potential matrix (697.23904s) stopped
T12 >> 1462333052.24255109 DistributedAtomicCorrection (293.14273s) started
T12 << 1462333052.70043612 DistributedAtomicCorrection (293.60062s) stopped
T12 >> 1462333052.70055008 Distribute overlap matrix (5393.68052s) started
T12 >> 1462333052.70057607 blocked summation (3010.64120s) started
T12 << 1462333057.27953291 blocked summation (3015.22016s) stopped
T12 >> 1462333057.28916001 Scalapack redistribute (2376.01577s) started
T12 << 1462333060.81110311 Scalapack redistribute (2379.53771s) stopped
T12 << 1462333060.81118989 Distribute overlap matrix (5401.79116s) stopped
T12 >> 1462333060.81610107 Blacs Orbital Layouts (38983.36748s) started
T12 >> 1462333060.82436299 General diagonalize (38827.88068s) started
T12 << 1462333114.81800103 General diagonalize (38881.87432s) stopped
T12 >> 1462333114.81805396 Redistribute coefs (5.93574s) started
T12 << 1462333114.82618904 Redistribute coefs (5.94388s) stopped
T12 >> 1462333114.82627392 Send coefs to domains (143.00677s) started
T12 << 1462333114.97642589 Send coefs to domains (143.15693s) stopped
T12 << 1462333114.97662306 Blacs Orbital Layouts (39037.52800s) stopped
T12 >> 1462333114.97665906 Calculate projections (1267.02170s) started
T12 << 1462333116.75659800 Calculate projections (1268.80164s) stopped
T12 << 1462333116.75680709 LCAO eigensolver (46702.49022s) stopped
T12 >> 1462333119.83764291 Density (10987.77102s) started
T12 >> 1462333119.83765888 Pseudo density (8474.44959s) started
T12 >> 1462333119.84031010 Calculate density matrix (7957.41661s) started
T12 << 1462333131.67579508 Calculate density matrix (7969.25209s) stopped
T12 >> 1462333131.67585611 Construct density (503.56151s) started
T12 << 1462333132.45525789 Construct density (504.34091s) stopped
T12 >> 1462333132.46919703 Symmetrize density (0.05692s) started
T12 << 1462333132.46927094 Symmetrize density (0.05699s) stopped
T12 << 1462333132.47136688 Pseudo density (8487.08330s) stopped
T12 >> 1462333132.47143602 Atomic density matrices (2218.64586s) started
T12 << 1462333136.00728703 Atomic density matrices (2222.18171s) stopped
T12 >> 1462333136.00732589 Multipole moments (8.23330s) started
T12 << 1462333136.02218795 Multipole moments (8.24816s) stopped
T12 >> 1462333136.02222204 Normalize (4.52237s) started
T12 << 1462333136.02850509 Normalize (4.52865s) stopped
T12 >> 1462333136.02856398 Mix (281.86699s) started
T12 << 1462333136.44096994 Mix (282.27939s) stopped
T12 << 1462333136.44106293 Density (11004.37444s) stopped
T12 >> 1462333136.44110703 Hamiltonian (33147.61602s) started
T12 >> 1462333136.44112396 vbar (17.85276s) started
T12 << 1462333136.46406507 vbar (17.87570s) stopped
T12 >> 1462333136.46420503 XC 3D grid (18873.30426s) started
T12 >> 1462333136.97745490 van der Waals (18228.16329s) started
T12 >> 1462333137.08863091 semilocal (3850.95772s) started
T12 << 1462333142.81286502 semilocal (3856.68195s) stopped
T12 >> 1462333142.89257598 redistribute (1959.89972s) started
T12 << 1462333143.95987391 redistribute (1960.96702s) stopped
T12 >> 1462333143.95992303 libvdwxc nonlocal (12290.13666s) started
T12 << 1462333162.19741702 libvdwxc nonlocal (12308.37415s) stopped
T12 >> 1462333162.19750094 redistribute (1960.96706s) started
T12 << 1462333164.24942207 redistribute (1963.01898s) stopped
T12 << 1462333164.25058007 van der Waals (18255.43641s) stopped
T12 << 1462333164.71774292 XC 3D grid (18901.55779s) stopped
T12 >> 1462333164.71778798 Poisson (3949.43882s) started
T12 << 1462333169.09358907 Poisson (3953.81462s) stopped
T12 >> 1462333169.09375191 Hartree integrate/restrict (248.60194s) started
T12 << 1462333169.13141108 Hartree integrate/restrict (248.63960s) stopped
T12 >> 1462333169.13151002 Hartree integrate/restrict (248.63966s) started
T12 << 1462333169.48527503 Hartree integrate/restrict (248.99343s) stopped
T12 >> 1462333169.48537207 Atomic (1595.25052s) started
T12 >> 1462333169.48722100 XC Correction (0.02217s) started
T12 << 1462333169.48723507 XC Correction (0.02219s) stopped
T12 << 1462333171.89234591 Atomic (1597.65750s) stopped
T12 >> 1462333171.89253402 Communicate (8462.90579s) started
T12 << 1462333188.57595110 Communicate (8479.58921s) stopped
T12 << 1462333188.57598996 Hamiltonian (33199.75091s) stopped
T12 >> 1462333188.57601595 LCAO eigensolver (46702.49025s) started
T12 >> 1462333188.57602906 Potential matrix (697.23910s) started
T12 << 1462333189.55542898 Potential matrix (698.21850s) stopped
T12 >> 1462333189.55551195 DistributedAtomicCorrection (293.60070s) started
T12 << 1462333190.00352597 DistributedAtomicCorrection (294.04871s) stopped
T12 >> 1462333190.00358891 Distribute overlap matrix (5401.79117s) started
T12 >> 1462333190.00361300 blocked summation (3015.22020s) started
T12 << 1462333194.57537508 blocked summation (3019.79196s) stopped
T12 >> 1462333194.58424211 Scalapack redistribute (2379.53778s) started
T12 << 1462333198.23093390 Scalapack redistribute (2383.18447s) stopped
T12 << 1462333198.23103189 Distribute overlap matrix (5410.01862s) stopped
T12 >> 1462333198.23666096 Blacs Orbital Layouts (39037.52802s) started
T12 >> 1462333198.24521089 General diagonalize (38881.87436s) started
T12 << 1462333251.42555308 General diagonalize (38935.05470s) stopped
T12 >> 1462333251.42560506 Redistribute coefs (5.94395s) started
T12 << 1462333251.43360710 Redistribute coefs (5.95195s) stopped
T12 >> 1462333251.43368697 Send coefs to domains (143.15697s) started
T12 << 1462333251.55871105 Send coefs to domains (143.28199s) stopped
T12 << 1462333251.55892611 Blacs Orbital Layouts (39090.85028s) stopped
T12 >> 1462333251.55896211 Calculate projections (1268.80170s) started
T12 << 1462333253.33885002 Calculate projections (1270.58158s) stopped
T12 << 1462333253.33906198 LCAO eigensolver (46767.25329s) stopped
T12 >> 1462333256.39686489 Density (11004.37446s) started
T12 >> 1462333256.39688110 Pseudo density (8487.08335s) started
T12 >> 1462333256.39984703 Calculate density matrix (7969.25214s) started
T12 << 1462333268.33061504 Calculate density matrix (7981.18290s) stopped
T12 >> 1462333268.33067298 Construct density (504.34097s) started
T12 << 1462333269.11036205 Construct density (505.12065s) stopped
T12 >> 1462333269.12434006 Symmetrize density (0.05701s) started
T12 << 1462333269.12440610 Symmetrize density (0.05708s) stopped
T12 << 1462333269.12650609 Pseudo density (8499.81298s) stopped
T12 >> 1462333269.12657309 Atomic density matrices (2222.18174s) started
T12 << 1462333272.61158609 Atomic density matrices (2225.66675s) stopped
T12 >> 1462333272.61162400 Multipole moments (8.24818s) started
T12 << 1462333272.62651610 Multipole moments (8.26307s) stopped
T12 >> 1462333272.62654901 Normalize (4.52869s) started
T12 << 1462333272.63293409 Normalize (4.53508s) stopped
T12 >> 1462333272.63299298 Mix (282.27948s) started
T12 << 1462333273.04546595 Mix (282.69196s) stopped
T12 << 1462333273.04556894 Density (11021.02316s) stopped
T12 >> 1462333273.04561496 Hamiltonian (33199.75092s) started
T12 >> 1462333273.04563689 vbar (17.87578s) started
T12 << 1462333273.07127810 vbar (17.90143s) stopped
T12 >> 1462333273.07137990 XC 3D grid (18901.55783s) started
T12 >> 1462333273.57431889 van der Waals (18255.43643s) started
T12 >> 1462333273.68361092 semilocal (3856.68207s) started
T12 << 1462333279.49278903 semilocal (3862.49125s) stopped
T12 >> 1462333279.57173705 redistribute (1963.01904s) started
T12 << 1462333280.52940893 redistribute (1963.97671s) stopped
T12 >> 1462333280.52947497 libvdwxc nonlocal (12308.37422s) started
T12 << 1462333298.82804894 libvdwxc nonlocal (12326.67279s) stopped
T12 >> 1462333298.82810712 redistribute (1963.97675s) started
T12 << 1462333300.83289504 redistribute (1965.98154s) stopped
T12 << 1462333300.83405495 van der Waals (18282.69617s) stopped
T12 << 1462333301.29710388 XC 3D grid (18929.78355s) stopped
T12 >> 1462333301.29716301 Poisson (3953.81474s) started
T12 << 1462333305.71915388 Poisson (3958.23673s) stopped
T12 >> 1462333305.71927595 Hartree integrate/restrict (248.99348s) started
T12 << 1462333305.75712705 Hartree integrate/restrict (249.03133s) stopped
T12 >> 1462333305.75731111 Hartree integrate/restrict (249.03145s) started
T12 << 1462333306.08887291 Hartree integrate/restrict (249.36301s) stopped
T12 >> 1462333306.08896589 Atomic (1597.65752s) started
T12 >> 1462333306.09087992 XC Correction (0.02220s) started
T12 << 1462333306.09092402 XC Correction (0.02224s) stopped
T12 << 1462333308.49666095 Atomic (1600.06522s) stopped
T12 >> 1462333308.49684811 Communicate (8479.58924s) started
T12 << 1462333325.26454496 Communicate (8496.35693s) stopped
T12 << 1462333325.26459002 Hamiltonian (33251.96990s) stopped
T12 >> 1462333325.26461697 LCAO eigensolver (46767.25331s) started
T12 >> 1462333325.26463103 Potential matrix (698.21854s) started
T12 << 1462333326.24936390 Potential matrix (699.20328s) stopped
T12 >> 1462333326.24944496 DistributedAtomicCorrection (294.04875s) started
T12 << 1462333326.70714593 DistributedAtomicCorrection (294.50645s) stopped
T12 >> 1462333326.70721292 Distribute overlap matrix (5410.01863s) started
T12 >> 1462333326.70723796 blocked summation (3019.79202s) started
T12 << 1462333331.27429008 blocked summation (3024.35907s) stopped
T12 >> 1462333331.28333592 Scalapack redistribute (2383.18451s) started
T12 << 1462333334.90456295 Scalapack redistribute (2386.80574s) stopped
T12 << 1462333334.90464997 Distribute overlap matrix (5418.21607s) stopped
T12 >> 1462333334.90994310 Blacs Orbital Layouts (39090.85030s) started
T12 >> 1462333334.91859293 General diagonalize (38935.05475s) started
T12 << 1462333389.56860399 General diagonalize (38989.70476s) stopped
T12 >> 1462333389.56865692 Redistribute coefs (5.95201s) started
T12 << 1462333389.57683396 Redistribute coefs (5.96019s) stopped
T12 >> 1462333389.57692003 Send coefs to domains (143.28203s) started
T12 << 1462333390.04150605 Send coefs to domains (143.74662s) stopped
T12 << 1462333390.04170704 Blacs Orbital Layouts (39145.98207s) stopped
T12 >> 1462333390.04174209 Calculate projections (1270.58164s) started
T12 << 1462333391.82286692 Calculate projections (1272.36277s) stopped
T12 << 1462333391.82307601 LCAO eigensolver (46833.81177s) stopped
T12 >> 1462333394.90278792 Density (11021.02318s) started
T12 >> 1462333394.90280509 Pseudo density (8499.81303s) started
T12 >> 1462333394.90552092 Calculate density matrix (7981.18294s) started
T12 << 1462333406.76483703 Calculate density matrix (7993.04226s) stopped
T12 >> 1462333406.76489496 Construct density (505.12071s) started
T12 << 1462333407.54672599 Construct density (505.90254s) stopped
T12 >> 1462333407.56062698 Symmetrize density (0.05710s) started
T12 << 1462333407.56069994 Symmetrize density (0.05717s) stopped
T12 << 1462333407.56279707 Pseudo density (8512.47302s) stopped
T12 >> 1462333407.56287003 Atomic density matrices (2225.66678s) started
T12 << 1462333411.01023006 Atomic density matrices (2229.11414s) stopped
T12 >> 1462333411.01027203 Multipole moments (8.26309s) started
T12 << 1462333411.02437401 Multipole moments (8.27719s) stopped
T12 >> 1462333411.02441001 Normalize (4.53512s) started
T12 << 1462333411.03060699 Normalize (4.54131s) stopped
T12 >> 1462333411.03068304 Mix (282.69206s) started
T12 << 1462333411.45951891 Mix (283.12089s) stopped
T12 << 1462333411.45964599 Density (11037.58004s) stopped
T12 >> 1462333411.45969296 Hamiltonian (33251.96991s) started
T12 >> 1462333411.45971298 vbar (17.90147s) started
T12 << 1462333411.48340392 vbar (17.92516s) stopped
T12 >> 1462333411.48349190 XC 3D grid (18929.78360s) started
T12 >> 1462333411.97962403 van der Waals (18282.69620s) started
T12 >> 1462333412.08857703 semilocal (3862.49133s) started
T12 << 1462333417.85630703 semilocal (3868.25906s) stopped
T12 >> 1462333417.94095802 redistribute (1965.98159s) started
T12 << 1462333418.93534803 redistribute (1966.97598s) stopped
T12 >> 1462333418.93539906 libvdwxc nonlocal (12326.67283s) started
T12 << 1462333436.74950099 libvdwxc nonlocal (12344.48694s) stopped
T12 >> 1462333436.74958301 redistribute (1966.97602s) started
T12 << 1462333438.92953706 redistribute (1969.15597s) stopped
T12 << 1462333438.93085599 van der Waals (18309.64743s) stopped
T12 << 1462333439.39707398 XC 3D grid (18957.69718s) stopped
T12 >> 1462333439.39714193 Poisson (3958.23681s) started
T12 << 1462333443.81095695 Poisson (3962.65063s) stopped
T12 >> 1462333443.81111193 Hartree integrate/restrict (249.36306s) started
T12 << 1462333443.85213089 Hartree integrate/restrict (249.40408s) stopped
T12 >> 1462333443.85226297 Hartree integrate/restrict (249.40417s) started
T12 << 1462333444.17227006 Hartree integrate/restrict (249.72418s) stopped
T12 >> 1462333444.17237091 Atomic (1600.06524s) started
T12 >> 1462333444.17428398 XC Correction (0.02225s) started
T12 << 1462333444.17429900 XC Correction (0.02227s) stopped
T12 << 1462333446.57877898 Atomic (1602.47165s) stopped
T12 >> 1462333446.57896495 Communicate (8496.35696s) started
T12 << 1462333463.28343606 Communicate (8513.06143s) stopped
T12 << 1462333463.28348207 Hamiltonian (33303.79370s) stopped
T12 >> 1462333463.28350997 LCAO eigensolver (46833.81179s) started
T12 >> 1462333463.28352404 Potential matrix (699.20332s) started
T12 << 1462333464.26904106 Potential matrix (700.18884s) stopped
T12 >> 1462333464.26912594 DistributedAtomicCorrection (294.50649s) started
T12 << 1462333464.72527194 DistributedAtomicCorrection (294.96263s) stopped
T12 >> 1462333464.72534299 Distribute overlap matrix (5418.21608s) started
T12 >> 1462333464.72536707 blocked summation (3024.35913s) started
T12 << 1462333469.28849602 blocked summation (3028.92225s) stopped
T12 >> 1462333469.29916811 Scalapack redistribute (2386.80578s) started
T12 << 1462333472.85863495 Scalapack redistribute (2390.36525s) stopped
T12 << 1462333472.85872197 Distribute overlap matrix (5426.34946s) stopped
T12 >> 1462333472.86358094 Blacs Orbital Layouts (39145.98208s) started
T12 >> 1462333472.87188101 General diagonalize (38989.70480s) started
T12 << 1462333528.06085801 General diagonalize (39044.89378s) stopped
T12 >> 1462333528.06091189 Redistribute coefs (5.96026s) started
T12 << 1462333528.06900811 Redistribute coefs (5.96835s) stopped
T12 >> 1462333528.06907797 Send coefs to domains (143.74665s) started
T12 << 1462333528.19858909 Send coefs to domains (143.87617s) stopped
T12 << 1462333528.19880009 Blacs Orbital Layouts (39201.31730s) stopped
T12 >> 1462333528.19886804 Calculate projections (1272.36282s) started
T12 << 1462333529.97902989 Calculate projections (1274.14299s) stopped
T12 << 1462333529.97942090 LCAO eigensolver (46900.50770s) stopped
T12 << 1462333533.05610108 SCF-cycle (93534.11548s) stopped
T12 >> 1462333535.25804210 Force calculation (4332.80347s) started
T12 >> 1462333535.25814605 LCAO forces (4285.78470s) started
T12 >> 1462333535.25854492 Initial (0.00125s) started
T12 << 1462333535.25855589 Initial (0.00126s) stopped
T12 >> 1462333535.26531291 Get density matrix (2235.67103s) started
T12 << 1462333544.42135501 Get density matrix (2244.82707s) stopped
T12 >> 1462333544.42143393 Potential (338.00130s) started
T12 << 1462333550.59035802 Potential (344.17022s) stopped
T12 >> 1462333550.59041810 Get density matrix (2244.82714s) started
T12 << 1462333582.05908489 Get density matrix (2276.29581s) stopped
T12 >> 1462333582.05915308 Prepare TCI loop (119.40373s) started
T12 >> 1462333582.05974102 Get neighbors (107.31565s) started
T12 << 1462333584.07647800 Get neighbors (109.33239s) stopped
T12 >> 1462333584.07750893 broadcast dH (12.02310s) started
T12 << 1462333584.39972997 broadcast dH (12.34532s) stopped
T12 << 1462333584.39977789 Prepare TCI loop (121.74435s) stopped
T12 >> 1462333584.39980006 Not so complicated loop (6.56514s) started
T12 << 1462333584.52421689 Not so complicated loop (6.68955s) stopped
T12 >> 1462333584.65070510 Complicated loop (1036.43201s) started
T12 << 1462333604.51181197 Complicated loop (1056.29312s) stopped
T12 >> 1462333604.51434493 Wait for sum (542.63994s) started
T12 << 1462333615.29432893 Wait for sum (553.41992s) stopped
T12 << 1462333615.29437399 LCAO forces (4365.82093s) stopped
T12 << 1462333616.19824195 Force calculation (4413.74367s) stopped
T12 >> 1462333616.21629405 Initialization (7229.10419s) started
T12 << 1462333616.21647310 Initialization (7229.10437s) stopped
T12 >> 1462333616.21670604 Initialization (7229.10438s) started
T12 << 1462333616.21685004 Initialization (7229.10453s) stopped
T12 >> 1462333616.21699405 Initialization (7229.10454s) started
T12 << 1462333616.21716094 Initialization (7229.10471s) stopped
T12 >> 1462333636.49218202 Initialization (7229.10473s) started
T12 >> 1462333636.62225699 Basic WFS set positions (4.95170s) started
T12 >> 1462333636.62228298 Redistribute (0.01501s) started
T12 << 1462333636.62241602 Redistribute (0.01514s) stopped
T12 << 1462333636.71210098 Basic WFS set positions (5.04155s) stopped
T12 >> 1462333636.71212912 Basis functions set positions (103.72662s) started
T12 << 1462333638.67187190 Basis functions set positions (105.68636s) stopped
T12 >> 1462333638.67229891 TCI: Calculate S, T, P (860.60840s) started
T12 << 1462333654.83178711 TCI: Calculate S, T, P (876.76789s) stopped
T12 >> 1462333654.83185101 blocked summation (1380.65499s) started
T12 << 1462333684.91198707 blocked summation (1410.73512s) stopped
T12 >> 1462333684.92092204 Scalapack redistribute (510.92734s) started
T12 << 1462333696.23648000 Scalapack redistribute (522.24289s) stopped
T12 >> 1462333696.23755002 blocked summation (1410.73520s) started
T12 << 1462333697.16785002 blocked summation (1411.66550s) stopped
T12 >> 1462333697.17726207 Scalapack redistribute (522.24293s) started
T12 << 1462333697.48726892 Scalapack redistribute (522.55294s) stopped
T12 >> 1462333697.48927689 Redistribute (0.11465s) started
T12 << 1462333697.48983502 Redistribute (0.11521s) stopped
T12 >> 1462333699.26046801 Redistribute (0.11523s) started
T12 << 1462333699.26097989 Redistribute (0.11574s) stopped
T12 >> 1462333699.27806306 LCAO WFS Initialize (4258.19542s) started
T12 >> 1462333699.27810311 Density initialize from wavefunctions (803.55031s) started
T12 >> 1462333699.28356600 Calculate density matrix (555.28792s) started
T12 << 1462333709.09781694 Calculate density matrix (565.10217s) stopped
T12 >> 1462333709.09787607 Construct density (42.34692s) started
T12 << 1462333709.87571406 Construct density (43.12476s) stopped
T12 >> 1462333709.89006495 Symmetrize density (0.00464s) started
T12 << 1462333709.89014006 Symmetrize density (0.00471s) stopped
T12 << 1462333713.71171808 Density initialize from wavefunctions (817.98393s) stopped
T12 >> 1462333713.71218610 Hamiltonian (3453.71385s) started
T12 >> 1462333713.71221900 vbar (1.57576s) started
T12 << 1462333713.74737310 vbar (1.61092s) stopped
T12 >> 1462333713.74756098 XC 3D grid (1622.88244s) started
T12 >> 1462333714.22450590 van der Waals (1567.66572s) started
T12 >> 1462333714.33715701 semilocal (330.20119s) started
T12 << 1462333720.13029790 semilocal (335.99433s) stopped
T12 >> 1462333720.21192694 redistribute (178.98984s) started
T12 << 1462333721.18831706 redistribute (179.96623s) stopped
T12 >> 1462333721.18836808 libvdwxc nonlocal (1047.54588s) started
T12 << 1462333739.62515497 libvdwxc nonlocal (1065.98267s) stopped
T12 >> 1462333739.62521791 redistribute (179.96626s) started
T12 << 1462333741.45463610 redistribute (181.79568s) stopped
T12 << 1462333741.45614100 van der Waals (1594.89736s) stopped
T12 << 1462333741.89164901 XC 3D grid (1651.02653s) stopped
T12 >> 1462333741.89169002 Poisson (822.82987s) started
T12 << 1462333753.33565903 Poisson (834.27384s) stopped
T12 >> 1462333753.33574700 Hartree integrate/restrict (21.29946s) started
T12 << 1462333753.37948108 Hartree integrate/restrict (21.34320s) stopped
T12 >> 1462333753.37953091 Hartree integrate/restrict (21.34323s) started
T12 << 1462333753.71008492 Hartree integrate/restrict (21.67378s) stopped
T12 >> 1462333753.71015501 Atomic (135.19828s) started
T12 >> 1462333753.71209693 XC Correction (0.00208s) started
T12 << 1462333753.71211100 XC Correction (0.00210s) stopped
T12 << 1462333756.09676194 Atomic (137.58489s) stopped
T12 >> 1462333756.09693503 Communicate (849.87951s) started
T12 << 1462333774.63751793 Communicate (868.42009s) stopped
T12 << 1462333774.63754296 Hamiltonian (3514.63920s) stopped
T12 << 1462333774.63755608 LCAO WFS Initialize (4333.55492s) stopped
T12 << 1462333774.64957905 Initialization (7367.26213s) stopped
T12 >> 1462333774.67555809 SCF-cycle (93534.11550s) started
T12 >> 1462333774.67559290 LCAO eigensolver (46900.50772s) started
T12 >> 1462333774.67560601 Potential matrix (700.18889s) started
T12 << 1462333775.65459991 Potential matrix (701.16788s) stopped
T12 >> 1462333775.65468693 DistributedAtomicCorrection (294.96268s) started
T12 << 1462333776.09960008 DistributedAtomicCorrection (295.40759s) stopped
T12 >> 1462333776.09964800 Distribute overlap matrix (5426.34948s) started
T12 >> 1462333776.09967899 blocked summation (3028.92229s) started
T12 << 1462333780.68618488 blocked summation (3033.50880s) stopped
T12 >> 1462333780.69537902 Scalapack redistribute (2390.36529s) started
T12 << 1462333784.30744505 Scalapack redistribute (2393.97735s) stopped
T12 << 1462333784.30752301 Distribute overlap matrix (5434.55735s) stopped
T12 >> 1462333784.31233001 Blacs Orbital Layouts (39201.31732s) started
T12 >> 1462333784.32102108 General diagonalize (39044.89382s) started
T12 << 1462333839.57424688 General diagonalize (39100.14705s) stopped
T12 >> 1462333839.57432508 Redistribute coefs (5.96841s) started
T12 << 1462333839.58329391 Redistribute coefs (5.97738s) stopped
T12 >> 1462333839.58333707 Send coefs to domains (143.87621s) started
T12 << 1462333839.71868992 Send coefs to domains (144.01156s) stopped
T12 << 1462333839.71907997 Blacs Orbital Layouts (39256.72407s) stopped
T12 >> 1462333839.71911001 Calculate projections (1274.14305s) started
T12 << 1462333841.48787189 Calculate projections (1275.91181s) stopped
T12 << 1462333841.48806596 LCAO eigensolver (46967.32019s) stopped
T12 >> 1462333844.57112193 Density (11037.58006s) started
T12 >> 1462333844.57113695 Pseudo density (8512.47308s) started
T12 >> 1462333844.57416010 Calculate density matrix (7993.04230s) started
T12 << 1462333857.59696603 Calculate density matrix (8006.06510s) stopped
T12 >> 1462333857.59701395 Construct density (505.90261s) started
T12 << 1462333858.37637305 Construct density (506.68197s) stopped
T12 >> 1462333858.39265394 Symmetrize density (0.05719s) started
T12 << 1462333858.39272189 Symmetrize density (0.05725s) stopped
T12 << 1462333858.39518809 Pseudo density (8526.29713s) stopped
T12 >> 1462333858.39524698 Atomic density matrices (2229.11417s) started
T12 << 1462333861.95211697 Atomic density matrices (2232.67104s) stopped
T12 >> 1462333861.95214701 Multipole moments (8.27721s) started
T12 << 1462333861.96755910 Multipole moments (8.29262s) stopped
T12 >> 1462333861.96758294 Normalize (4.54137s) started
T12 << 1462333861.97429109 Normalize (4.54807s) stopped
T12 >> 1462333861.97432899 Mix (283.12101s) started
T12 << 1462333862.33648801 Mix (283.48317s) stopped
T12 << 1462333862.33652091 Density (11055.34546s) stopped
T12 >> 1462333862.33654809 Hamiltonian (33303.79372s) started
T12 >> 1462333862.33656311 vbar (17.92520s) started
T12 << 1462333862.36358500 vbar (17.95222s) stopped
T12 >> 1462333862.36369300 XC 3D grid (18957.69723s) started
T12 >> 1462333862.86023688 van der Waals (18309.64748s) started
T12 >> 1462333862.97233295 semilocal (3868.25915s) started
T12 << 1462333868.79154301 semilocal (3874.07836s) stopped
T12 >> 1462333868.86485291 redistribute (1969.15603s) started
T12 << 1462333869.85645509 redistribute (1970.14763s) stopped
T12 >> 1462333869.85649896 libvdwxc nonlocal (12344.48700s) started
T12 << 1462333888.11918902 libvdwxc nonlocal (12362.74969s) stopped
T12 >> 1462333888.11925101 redistribute (1970.14767s) started
T12 << 1462333889.98251700 redistribute (1972.01093s) stopped
T12 << 1462333889.98406196 van der Waals (18336.77131s) stopped
T12 << 1462333890.42205596 XC 3D grid (18985.75560s) stopped
T12 >> 1462333890.42209792 Poisson (3962.65074s) started
T12 << 1462333894.79464602 Poisson (3967.02329s) stopped
T12 >> 1462333894.79471397 Hartree integrate/restrict (249.72423s) started
T12 << 1462333894.84016895 Hartree integrate/restrict (249.76968s) stopped
T12 >> 1462333894.84021306 Hartree integrate/restrict (249.76971s) started
T12 << 1462333895.16152906 Hartree integrate/restrict (250.09103s) stopped
T12 >> 1462333895.16160011 Atomic (1602.47168s) started
T12 >> 1462333895.16355109 XC Correction (0.02228s) started
T12 << 1462333895.16356897 XC Correction (0.02230s) stopped
T12 << 1462333897.56091094 Atomic (1604.87099s) stopped
T12 >> 1462333897.56108499 Communicate (8513.06146s) started
T12 << 1462333916.06202197 Communicate (8531.56240s) stopped
T12 << 1462333916.06205702 Hamiltonian (33357.51922s) stopped
T12 >> 1462333916.06208301 LCAO eigensolver (46967.32021s) started
T12 >> 1462333916.06209612 Potential matrix (701.16793s) started
T12 << 1462333917.03749800 Potential matrix (702.14333s) stopped
T12 >> 1462333917.03756809 DistributedAtomicCorrection (295.40763s) started
T12 << 1462333917.48216295 DistributedAtomicCorrection (295.85222s) stopped
T12 >> 1462333917.48220897 Distribute overlap matrix (5434.55736s) started
T12 >> 1462333917.48223901 blocked summation (3033.50883s) started
T12 << 1462333922.04648089 blocked summation (3038.07307s) stopped
T12 >> 1462333922.05606604 Scalapack redistribute (2393.97739s) started
T12 << 1462333925.80191398 Scalapack redistribute (2397.72323s) stopped
T12 << 1462333925.80200601 Distribute overlap matrix (5442.87716s) stopped
T12 >> 1462333925.80703902 Blacs Orbital Layouts (39256.72409s) started
T12 >> 1462333925.81558704 General diagonalize (39100.14711s) started
T12 << 1462333981.92970705 General diagonalize (39156.26123s) stopped
T12 >> 1462333981.92975712 Redistribute coefs (5.97741s) started
T12 << 1462333981.93885708 Redistribute coefs (5.98651s) stopped
T12 >> 1462333981.93892193 Send coefs to domains (144.01159s) started
T12 << 1462333982.12441802 Send coefs to domains (144.19709s) stopped
T12 << 1462333982.12484694 Blacs Orbital Layouts (39313.04190s) stopped
T12 >> 1462333982.12487507 Calculate projections (1275.91186s) started
T12 << 1462333983.89791989 Calculate projections (1277.68490s) stopped
T12 << 1462333983.89830089 LCAO eigensolver (47035.15643s) stopped
T12 >> 1462333986.97173190 Density (11055.34547s) started
T12 >> 1462333986.97174692 Pseudo density (8526.29718s) started
T12 >> 1462333986.97458696 Calculate density matrix (8006.06513s) started
T12 << 1462333998.82976604 Calculate density matrix (8017.92031s) stopped
T12 >> 1462333998.82982206 Construct density (506.68202s) started
T12 << 1462333999.61003494 Construct density (507.46223s) stopped
T12 >> 1462333999.62606192 Symmetrize density (0.05727s) started
T12 << 1462333999.62612796 Symmetrize density (0.05734s) stopped
T12 << 1462333999.62857509 Pseudo density (8538.95401s) stopped
T12 >> 1462333999.62863207 Atomic density matrices (2232.67107s) started
T12 << 1462334003.10183501 Atomic density matrices (2236.14427s) stopped
T12 >> 1462334003.10186696 Multipole moments (8.29264s) started
T12 << 1462334003.11722994 Multipole moments (8.30800s) stopped
T12 >> 1462334003.11725307 Normalize (4.54810s) started
T12 << 1462334003.12412500 Normalize (4.55497s) stopped
T12 >> 1462334003.12416506 Mix (283.48320s) started
T12 << 1462334003.52234602 Mix (283.88138s) stopped
T12 << 1462334003.52239895 Density (11071.89614s) stopped
T12 >> 1462334003.52242708 Hamiltonian (33357.51924s) started
T12 >> 1462334003.52244306 vbar (17.95229s) started
T12 << 1462334003.55293489 vbar (17.98278s) stopped
T12 >> 1462334003.55312991 XC 3D grid (18985.75563s) started
T12 >> 1462334004.04442811 van der Waals (18336.77135s) started
T12 >> 1462334004.15796089 semilocal (3874.07844s) started
T12 << 1462334009.93114901 semilocal (3879.85163s) stopped
T12 >> 1462334010.00341797 redistribute (1972.01097s) started
T12 << 1462334011.03693891 redistribute (1973.04450s) stopped
T12 >> 1462334011.03698897 libvdwxc nonlocal (12362.74973s) started
T12 << 1462334028.93634200 libvdwxc nonlocal (12380.64909s) stopped
T12 >> 1462334028.93642092 redistribute (1973.04453s) started
T12 << 1462334030.90035701 redistribute (1975.00847s) stopped
T12 << 1462334030.90191197 van der Waals (18363.62884s) stopped
T12 << 1462334031.33936191 XC 3D grid (19013.54186s) stopped
T12 >> 1462334031.33941388 Poisson (3967.02334s) started
T12 << 1462334038.45443106 Poisson (3974.13835s) stopped
T12 >> 1462334038.45450091 Hartree integrate/restrict (250.09106s) started
T12 << 1462334038.49523091 Hartree integrate/restrict (250.13179s) stopped
T12 >> 1462334038.49534893 Hartree integrate/restrict (250.13186s) started
T12 << 1462334038.83142996 Hartree integrate/restrict (250.46795s) stopped
T12 >> 1462334038.83153796 Atomic (1604.87101s) started
T12 >> 1462334038.83353090 XC Correction (0.02233s) started
T12 << 1462334038.83356500 XC Correction (0.02237s) stopped
T12 << 1462334041.22655201 Atomic (1607.26602s) stopped
T12 >> 1462334041.22675204 Communicate (8531.56242s) started
T12 << 1462334059.78583694 Communicate (8550.12151s) stopped
T12 << 1462334059.78587890 Hamiltonian (33413.78269s) stopped
T12 >> 1462334059.78590608 LCAO eigensolver (47035.15645s) started
T12 >> 1462334059.78591990 Potential matrix (702.14338s) started
T12 << 1462334060.76048803 Potential matrix (703.11794s) stopped
T12 >> 1462334060.76056910 DistributedAtomicCorrection (295.85226s) started
T12 << 1462334061.20855308 DistributedAtomicCorrection (296.30024s) stopped
T12 >> 1462334061.20860195 Distribute overlap matrix (5442.87717s) started
T12 >> 1462334061.20863700 blocked summation (3038.07310s) started
T12 << 1462334065.81332588 blocked summation (3042.67779s) stopped
T12 >> 1462334065.82324600 Scalapack redistribute (2397.72329s) started
T12 << 1462334069.48676610 Scalapack redistribute (2401.38681s) stopped
T12 << 1462334069.48687601 Distribute overlap matrix (5451.15545s) stopped
T12 >> 1462334069.49138403 Blacs Orbital Layouts (39313.04192s) started
T12 >> 1462334069.49987102 General diagonalize (39156.26128s) started
T12 << 1462334122.81760597 General diagonalize (39209.57901s) stopped
T12 >> 1462334122.81765509 Redistribute coefs (5.98656s) started
T12 << 1462334122.82645011 Redistribute coefs (5.99535s) stopped
T12 >> 1462334122.82649398 Send coefs to domains (144.19712s) started
T12 << 1462334122.98029208 Send coefs to domains (144.35092s) stopped
T12 << 1462334122.98080802 Blacs Orbital Layouts (39366.53134s) stopped
T12 >> 1462334122.98083591 Calculate projections (1277.68495s) started
T12 << 1462334124.74897003 Calculate projections (1279.45309s) stopped
T12 << 1462334124.74944210 LCAO eigensolver (47100.11999s) stopped
T12 >> 1462334127.85551500 Density (11071.89615s) started
T12 >> 1462334127.85553098 Pseudo density (8538.95405s) started
T12 >> 1462334127.85787702 Calculate density matrix (8017.92035s) started
T12 << 1462334139.69205308 Calculate density matrix (8029.75453s) stopped
T12 >> 1462334139.69210196 Construct density (507.46229s) started
T12 << 1462334140.47329497 Construct density (508.24348s) stopped
T12 >> 1462334140.49019194 Symmetrize density (0.05735s) started
T12 << 1462334140.49025989 Symmetrize density (0.05742s) stopped
T12 << 1462334140.49272108 Pseudo density (8551.59124s) stopped
T12 >> 1462334140.49277806 Atomic density matrices (2236.14430s) started
T12 << 1462334143.95410395 Atomic density matrices (2239.60562s) stopped
T12 >> 1462334143.95413589 Multipole moments (8.30802s) started
T12 << 1462334143.96946192 Multipole moments (8.32334s) stopped
T12 >> 1462334143.96949410 Normalize (4.55500s) started
T12 << 1462334143.97598696 Normalize (4.56150s) stopped
T12 >> 1462334143.97602797 Mix (283.88144s) started
T12 << 1462334144.37624502 Mix (284.28165s) stopped
T12 << 1462334144.37628007 Density (11088.41691s) stopped
T12 >> 1462334144.37630701 Hamiltonian (33413.78270s) started
T12 >> 1462334144.37632203 vbar (17.98289s) started
T12 << 1462334144.40721703 vbar (18.01379s) stopped
T12 >> 1462334144.40745902 XC 3D grid (19013.54190s) started
T12 >> 1462334144.88993192 van der Waals (18363.62891s) started
T12 >> 1462334145.00254202 semilocal (3879.85174s) started
T12 << 1462334150.74562502 semilocal (3885.59482s) stopped
T12 >> 1462334150.81950402 redistribute (1975.00854s) started
T12 << 1462334151.89411497 redistribute (1976.08315s) stopped
T12 >> 1462334151.89416790 libvdwxc nonlocal (12380.64915s) started
T12 << 1462334169.97859812 libvdwxc nonlocal (12398.73358s) stopped
T12 >> 1462334169.97866011 redistribute (1976.08319s) started
T12 << 1462334172.02206206 redistribute (1978.12659s) stopped
T12 << 1462334172.02349401 van der Waals (18390.76247s) stopped
T12 << 1462334172.46737194 XC 3D grid (19041.60182s) stopped
T12 >> 1462334172.46743393 Poisson (3974.13841s) started
T12 << 1462334178.19947100 Poisson (3979.87044s) stopped
T12 >> 1462334178.19961190 Hartree integrate/restrict (250.46800s) started
T12 << 1462334178.23905611 Hartree integrate/restrict (250.50744s) stopped
T12 >> 1462334178.23914790 Hartree integrate/restrict (250.50750s) started
T12 << 1462334178.56240010 Hartree integrate/restrict (250.83075s) stopped
T12 >> 1462334178.56251407 Atomic (1607.26605s) started
T12 >> 1462334178.56448793 XC Correction (0.02238s) started
T12 << 1462334178.56450391 XC Correction (0.02240s) stopped
T12 << 1462334180.96449995 Atomic (1609.66803s) stopped
T12 >> 1462334180.96470499 Communicate (8550.12154s) started
T12 << 1462334199.47828698 Communicate (8568.63512s) stopped
T12 << 1462334199.47832990 Hamiltonian (33468.88473s) stopped
T12 >> 1462334199.47835803 LCAO eigensolver (47100.12001s) started
T12 >> 1462334199.47837210 Potential matrix (703.11799s) started
T12 << 1462334200.45676589 Potential matrix (704.09638s) stopped
T12 >> 1462334200.45685005 DistributedAtomicCorrection (296.30028s) started
T12 << 1462334200.89790010 DistributedAtomicCorrection (296.74133s) stopped
T12 >> 1462334200.89794588 Distribute overlap matrix (5451.15546s) started
T12 >> 1462334200.89797711 blocked summation (3042.67783s) started
T12 << 1462334205.61728597 blocked summation (3047.39714s) stopped
T12 >> 1462334205.62619805 Scalapack redistribute (2401.38688s) started
T12 << 1462334209.13753295 Scalapack redistribute (2404.89822s) stopped
T12 << 1462334209.13764691 Distribute overlap matrix (5459.39516s) stopped
T12 >> 1462334209.14247203 Blacs Orbital Layouts (39366.53136s) started
T12 >> 1462334209.15123701 General diagonalize (39209.57905s) started
T12 << 1462334265.08866405 General diagonalize (39265.51648s) stopped
T12 >> 1462334265.08872294 Redistribute coefs (5.99539s) started
T12 << 1462334265.09763789 Redistribute coefs (6.00430s) stopped
T12 >> 1462334265.09770703 Send coefs to domains (144.35095s) started
T12 << 1462334265.38337111 Send coefs to domains (144.63662s) stopped
T12 << 1462334265.38373590 Blacs Orbital Layouts (39422.77263s) stopped
T12 >> 1462334265.38376689 Calculate projections (1279.45313s) started
T12 << 1462334267.16584396 Calculate projections (1281.23521s) stopped
T12 << 1462334267.16605306 LCAO eigensolver (47167.80770s) stopped
T12 >> 1462334270.25376797 Density (11088.41693s) started
T12 >> 1462334270.25378489 Pseudo density (8551.59129s) started
T12 >> 1462334270.25603604 Calculate density matrix (8029.75456s) started
T12 << 1462334282.06668806 Calculate density matrix (8041.56522s) stopped
T12 >> 1462334282.06674600 Construct density (508.24353s) started
T12 << 1462334282.84692502 Construct density (509.02371s) stopped
T12 >> 1462334282.86121297 Symmetrize density (0.05744s) started
T12 << 1462334282.86128998 Symmetrize density (0.05752s) stopped
T12 << 1462334282.86341500 Pseudo density (8564.20092s) stopped
T12 >> 1462334282.86348295 Atomic density matrices (2239.60565s) started
T12 << 1462334286.29222107 Atomic density matrices (2243.03438s) stopped
T12 >> 1462334286.29225993 Multipole moments (8.32336s) started
T12 << 1462334286.30760598 Multipole moments (8.33871s) stopped
T12 >> 1462334286.30764008 Normalize (4.56153s) started
T12 << 1462334286.31390405 Normalize (4.56779s) stopped
T12 >> 1462334286.31395602 Mix (284.28169s) started
T12 << 1462334286.71933007 Mix (284.68706s) stopped
T12 << 1462334286.71939993 Density (11104.88256s) stopped
T12 >> 1462334286.71942902 Hamiltonian (33468.88474s) started
T12 >> 1462334286.71944404 vbar (18.01392s) started
T12 << 1462334286.74278688 vbar (18.03727s) stopped
T12 >> 1462334286.74290609 XC 3D grid (19041.60187s) started
T12 >> 1462334287.28886604 van der Waals (18390.76254s) started
T12 >> 1462334287.40253997 semilocal (3885.59490s) started
T12 << 1462334293.10481095 semilocal (3891.29717s) stopped
T12 >> 1462334293.18119502 redistribute (1978.12667s) started
T12 << 1462334294.27969694 redistribute (1979.22517s) stopped
T12 >> 1462334294.27975798 libvdwxc nonlocal (12398.73362s) started
T12 << 1462334312.35873389 libvdwxc nonlocal (12416.81260s) stopped
T12 >> 1462334312.35881591 redistribute (1979.22521s) started
T12 << 1462334314.33697009 redistribute (1981.20336s) stopped
T12 << 1462334314.33803105 van der Waals (18417.81171s) stopped
T12 << 1462334314.78464293 XC 3D grid (19069.64360s) stopped
T12 >> 1462334314.78469491 Poisson (3979.87055s) started
T12 << 1462334320.57388091 Poisson (3985.65974s) stopped
T12 >> 1462334320.57395601 Hartree integrate/restrict (250.83081s) started
T12 << 1462334320.61318207 Hartree integrate/restrict (250.87004s) stopped
T12 >> 1462334320.61331010 Hartree integrate/restrict (250.87012s) started
T12 << 1462334320.93667889 Hartree integrate/restrict (251.19349s) stopped
T12 >> 1462334320.93676305 Atomic (1609.66806s) started
T12 >> 1462334320.93859601 XC Correction (0.02241s) started
T12 << 1462334320.93861103 XC Correction (0.02242s) stopped
T12 << 1462334323.32343411 Atomic (1612.05473s) stopped
T12 >> 1462334323.32363605 Communicate (8568.63515s) started
T12 << 1462334340.95999408 Communicate (8586.27151s) stopped
T12 << 1462334340.96003795 Hamiltonian (33523.12535s) stopped
T12 >> 1462334340.96006489 LCAO eigensolver (47167.80772s) started
T12 >> 1462334340.96007895 Potential matrix (704.09643s) started
T12 << 1462334341.92886400 Potential matrix (705.06521s) stopped
T12 >> 1462334341.92896104 DistributedAtomicCorrection (296.74137s) started
T12 << 1462334342.38337493 DistributedAtomicCorrection (297.19579s) stopped
T12 >> 1462334342.38343906 Distribute overlap matrix (5459.39517s) started
T12 >> 1462334342.38346291 blocked summation (3047.39717s) started
T12 << 1462334347.04472303 blocked summation (3052.05843s) stopped
T12 >> 1462334347.05434799 Scalapack redistribute (2404.89828s) started
T12 << 1462334350.55866790 Scalapack redistribute (2408.40260s) stopped
T12 << 1462334350.55875492 Distribute overlap matrix (5467.57049s) stopped
T12 >> 1462334350.56340194 Blacs Orbital Layouts (39422.77265s) started
T12 >> 1462334350.57259202 General diagonalize (39265.51653s) started
T12 << 1462334404.98669195 General diagonalize (39319.93063s) stopped
T12 >> 1462334404.98677707 Redistribute coefs (6.00436s) started
T12 << 1462334404.99578309 Redistribute coefs (6.01337s) stopped
T12 >> 1462334404.99583602 Send coefs to domains (144.63666s) started
T12 << 1462334405.38111401 Send coefs to domains (145.02193s) stopped
T12 << 1462334405.38169503 Blacs Orbital Layouts (39477.59094s) stopped
T12 >> 1462334405.38176608 Calculate projections (1281.23527s) started
T12 << 1462334407.16145706 Calculate projections (1283.01496s) stopped
T12 << 1462334407.16165996 LCAO eigensolver (47234.00931s) stopped
T12 >> 1462334410.22034907 Density (11104.88257s) started
T12 >> 1462334410.22036600 Pseudo density (8564.20097s) started
T12 >> 1462334410.22262692 Calculate density matrix (8041.56526s) started
T12 << 1462334422.06760597 Calculate density matrix (8053.41023s) stopped
T12 >> 1462334422.06766200 Construct density (509.02377s) started
T12 << 1462334422.84701610 Construct density (509.80312s) stopped
T12 >> 1462334422.86106396 Symmetrize density (0.05754s) started
T12 << 1462334422.86113811 Symmetrize density (0.05761s) stopped
T12 << 1462334422.86324501 Pseudo density (8576.84385s) stopped
T12 >> 1462334422.86331105 Atomic density matrices (2243.03441s) started
T12 << 1462334426.31813002 Atomic density matrices (2246.48923s) stopped
T12 >> 1462334426.31816697 Multipole moments (8.33872s) started
T12 << 1462334426.33296299 Multipole moments (8.35352s) stopped
T12 >> 1462334426.33299804 Normalize (4.56783s) started
T12 << 1462334426.33942389 Normalize (4.57425s) stopped
T12 >> 1462334426.33954096 Mix (284.68713s) started
T12 << 1462334426.80231690 Mix (285.14991s) stopped
T12 << 1462334426.80239105 Density (11121.46461s) stopped
T12 >> 1462334426.80242610 Hamiltonian (33523.12536s) started
T12 >> 1462334426.80244398 vbar (18.03734s) started
T12 << 1462334426.83361292 vbar (18.06851s) stopped
T12 >> 1462334426.83383799 XC 3D grid (19069.64364s) started
T12 >> 1462334427.32405210 van der Waals (18417.81176s) started
T12 >> 1462334427.43813205 semilocal (3891.29729s) started
T12 << 1462334433.23074508 semilocal (3897.08990s) stopped
T12 >> 1462334433.30258107 redistribute (1981.20342s) started
T12 << 1462334434.31432700 redistribute (1982.21517s) stopped
T12 >> 1462334434.31439304 libvdwxc nonlocal (12416.81266s) started
T12 << 1462334452.24338889 libvdwxc nonlocal (12434.74166s) stopped
T12 >> 1462334452.24347591 redistribute (1982.21521s) started
T12 << 1462334454.18875194 redistribute (1984.16049s) stopped
T12 << 1462334454.18968010 van der Waals (18444.67738s) stopped
T12 << 1462334454.63587689 XC 3D grid (19097.44568s) stopped
T12 >> 1462334454.63594294 Poisson (3985.65979s) started
T12 << 1462334460.50884604 Poisson (3991.53270s) stopped
T12 >> 1462334460.50898910 Hartree integrate/restrict (251.19353s) started
T12 << 1462334460.54784608 Hartree integrate/restrict (251.23239s) stopped
T12 >> 1462334460.54794192 Hartree integrate/restrict (251.23245s) started
T12 << 1462334460.87935209 Hartree integrate/restrict (251.56386s) stopped
T12 >> 1462334460.87945294 Atomic (1612.05475s) started
T12 >> 1462334460.88156390 XC Correction (0.02243s) started
T12 << 1462334460.88159108 XC Correction (0.02246s) stopped
T12 << 1462334463.27208591 Atomic (1614.44739s) stopped
T12 >> 1462334463.27228403 Communicate (8586.27154s) started
T12 << 1462334480.17369509 Communicate (8603.17295s) stopped
T12 << 1462334480.17373800 Hamiltonian (33576.49667s) stopped
T12 >> 1462334480.17376399 LCAO eigensolver (47234.00933s) started
T12 >> 1462334480.17377806 Potential matrix (705.06527s) started
T12 << 1462334481.14247298 Potential matrix (706.03396s) stopped
T12 >> 1462334481.14255309 DistributedAtomicCorrection (297.19582s) started
T12 << 1462334481.58894610 DistributedAtomicCorrection (297.64222s) stopped
T12 >> 1462334481.58900809 Distribute overlap matrix (5467.57050s) started
T12 >> 1462334481.58903289 blocked summation (3052.05847s) started
T12 << 1462334486.26869297 blocked summation (3056.73813s) stopped
T12 >> 1462334486.27803397 Scalapack redistribute (2408.40264s) started
T12 << 1462334489.84378195 Scalapack redistribute (2411.96839s) stopped
T12 << 1462334489.84389997 Distribute overlap matrix (5475.82540s) stopped
T12 >> 1462334489.84796405 Blacs Orbital Layouts (39477.59096s) started
T12 >> 1462334489.85671902 General diagonalize (39319.93070s) started
T12 << 1462334545.08950591 General diagonalize (39375.16348s) stopped
T12 >> 1462334545.08955097 Redistribute coefs (6.01340s) started
T12 << 1462334545.09868908 Redistribute coefs (6.02254s) stopped
T12 >> 1462334545.09873390 Send coefs to domains (145.02197s) started
T12 << 1462334545.19306302 Send coefs to domains (145.11630s) stopped
T12 << 1462334545.19354010 Blacs Orbital Layouts (39532.93654s) stopped
T12 >> 1462334545.19357204 Calculate projections (1283.01502s) started
T12 << 1462334546.96261406 Calculate projections (1284.78406s) stopped
T12 << 1462334546.96285009 LCAO eigensolver (47300.79842s) stopped
T12 >> 1462334550.05218601 Density (11121.46463s) started
T12 >> 1462334550.05220103 Pseudo density (8576.84390s) started
T12 >> 1462334550.05473804 Calculate density matrix (8053.41027s) started
T12 << 1462334561.88384390 Calculate density matrix (8065.23938s) stopped
T12 >> 1462334561.88389206 Construct density (509.80318s) started
T12 << 1462334562.66501594 Construct density (510.58430s) stopped
T12 >> 1462334562.68158603 Symmetrize density (0.05763s) started
T12 << 1462334562.68164396 Symmetrize density (0.05769s) stopped
T12 << 1462334562.68411994 Pseudo density (8589.47582s) stopped
T12 >> 1462334562.68417907 Atomic density matrices (2246.48926s) started
T12 << 1462334566.20813298 Atomic density matrices (2250.01321s) stopped
T12 >> 1462334566.20816708 Multipole moments (8.35354s) started
T12 << 1462334566.22348189 Multipole moments (8.36885s) stopped
T12 >> 1462334566.22351408 Normalize (4.57434s) started
T12 << 1462334566.23028207 Normalize (4.58110s) stopped
T12 >> 1462334566.23032093 Mix (285.14998s) started
T12 << 1462334566.70331812 Mix (285.62298s) stopped
T12 << 1462334566.70340490 Density (11138.11585s) stopped
T12 >> 1462334566.70343804 Hamiltonian (33576.49669s) started
T12 >> 1462334566.70345306 vbar (18.06866s) started
T12 << 1462334566.72575307 vbar (18.09096s) stopped
T12 >> 1462334566.72583008 XC 3D grid (19097.44574s) started
T12 >> 1462334567.24940896 van der Waals (18444.67742s) started
T12 >> 1462334567.35926008 semilocal (3897.09000s) started
T12 << 1462334573.12093210 semilocal (3902.85167s) stopped
T12 >> 1462334573.19936800 redistribute (1984.16055s) started
T12 << 1462334574.24002695 redistribute (1985.20121s) stopped
T12 >> 1462334574.24006891 libvdwxc nonlocal (12434.74172s) started
T12 << 1462334592.56902099 libvdwxc nonlocal (12453.07067s) stopped
T12 >> 1462334592.56908107 redistribute (1985.20124s) started
T12 << 1462334594.29452109 redistribute (1986.92668s) stopped
T12 << 1462334594.29572296 van der Waals (18471.72374s) stopped
T12 << 1462334594.74531698 XC 3D grid (19125.46522s) stopped
T12 >> 1462334594.74535894 Poisson (3991.53280s) started
T12 << 1462334599.10959411 Poisson (3995.89704s) stopped
T12 >> 1462334599.10966706 Hartree integrate/restrict (251.56391s) started
T12 << 1462334599.15217304 Hartree integrate/restrict (251.60641s) stopped
T12 >> 1462334599.15225697 Hartree integrate/restrict (251.60647s) started
T12 << 1462334599.50200295 Hartree integrate/restrict (251.95622s) stopped
T12 >> 1462334599.50207901 Atomic (1614.44741s) started
T12 >> 1462334599.50387597 XC Correction (0.02248s) started
T12 << 1462334599.50389194 XC Correction (0.02249s) stopped
T12 << 1462334601.87666011 Atomic (1616.82199s) stopped
T12 >> 1462334601.87683105 Communicate (8603.17298s) started
T12 << 1462334618.83030105 Communicate (8620.12645s) stopped
T12 << 1462334618.83033490 Hamiltonian (33628.62358s) stopped
T12 >> 1462334618.83035898 LCAO eigensolver (47300.79844s) started
T12 >> 1462334618.83037210 Potential matrix (706.03401s) started
T12 << 1462334619.80945992 Potential matrix (707.01310s) stopped
T12 >> 1462334619.80953193 DistributedAtomicCorrection (297.64226s) started
T12 << 1462334620.25689602 DistributedAtomicCorrection (298.08962s) stopped
T12 >> 1462334620.25695705 Distribute overlap matrix (5475.82541s) started
T12 >> 1462334620.25697899 blocked summation (3056.73817s) started
T12 << 1462334624.93959093 blocked summation (3061.42078s) stopped
T12 >> 1462334624.94853806 Scalapack redistribute (2411.96845s) started
T12 << 1462334628.53438997 Scalapack redistribute (2415.55430s) stopped
T12 << 1462334628.53448009 Distribute overlap matrix (5484.10293s) stopped
T12 >> 1462334628.53905511 Blacs Orbital Layouts (39532.93655s) started
T12 >> 1462334628.54754710 General diagonalize (39375.16352s) started
T12 << 1462334684.61566210 General diagonalize (39431.23163s) stopped
T12 >> 1462334684.61574507 Redistribute coefs (6.02258s) started
T12 << 1462334684.62484097 Redistribute coefs (6.03167s) stopped
T12 >> 1462334684.62490606 Send coefs to domains (145.11633s) started
T12 << 1462334684.88049197 Send coefs to domains (145.37192s) stopped
T12 << 1462334684.88095593 Blacs Orbital Layouts (39589.27846s) stopped
T12 >> 1462334684.88098907 Calculate projections (1284.78411s) started
T12 << 1462334686.64944506 Calculate projections (1286.55256s) stopped
T12 << 1462334686.64963698 LCAO eigensolver (47368.61772s) stopped
T12 >> 1462334689.72163010 Density (11138.11587s) started
T12 >> 1462334689.72164512 Pseudo density (8589.47587s) started
T12 >> 1462334689.72398901 Calculate density matrix (8065.23941s) started
T12 << 1462334701.66611290 Calculate density matrix (8077.18153s) stopped
T12 >> 1462334701.66616201 Construct density (510.58436s) started
T12 << 1462334702.44514799 Construct density (511.36334s) stopped
T12 >> 1462334702.46156693 Symmetrize density (0.05770s) started
T12 << 1462334702.46162510 Symmetrize density (0.05776s) stopped
T12 << 1462334702.46409392 Pseudo density (8602.21832s) stopped
T12 >> 1462334702.46415210 Atomic density matrices (2250.01324s) started
T12 << 1462334705.90862489 Atomic density matrices (2253.45771s) stopped
T12 >> 1462334705.90865898 Multipole moments (8.36887s) started
T12 << 1462334705.92418098 Multipole moments (8.38439s) stopped
T12 >> 1462334705.92421293 Normalize (4.58113s) started
T12 << 1462334705.93084192 Normalize (4.58776s) stopped
T12 >> 1462334705.93088198 Mix (285.62306s) started
T12 << 1462334706.35398197 Mix (286.04616s) stopped
T12 << 1462334706.35405993 Density (11154.74830s) stopped
T12 >> 1462334706.35409307 Hamiltonian (33628.62360s) started
T12 >> 1462334706.35411000 vbar (18.09101s) started
T12 << 1462334706.37877393 vbar (18.11567s) stopped
T12 >> 1462334706.37884903 XC 3D grid (19125.46526s) started
T12 >> 1462334706.88707089 van der Waals (18471.72378s) started
T12 >> 1462334706.99603295 semilocal (3902.85177s) started
T12 << 1462334712.73256612 semilocal (3908.58830s) stopped
T12 >> 1462334712.81611991 redistribute (1986.92672s) started
T12 << 1462334713.86020303 redistribute (1987.97080s) stopped
T12 >> 1462334713.86027288 libvdwxc nonlocal (12453.07072s) started
T12 << 1462334732.20589209 libvdwxc nonlocal (12471.41634s) stopped
T12 >> 1462334732.20595407 redistribute (1987.97086s) started
T12 << 1462334733.91496897 redistribute (1989.67987s) stopped
T12 << 1462334733.91618991 van der Waals (18498.75290s) stopped
T12 << 1462334734.36740208 XC 3D grid (19153.45381s) stopped
T12 >> 1462334734.36747408 Poisson (3995.89709s) started
T12 << 1462334737.28754210 Poisson (3998.81716s) stopped
T12 >> 1462334737.28768206 Hartree integrate/restrict (251.95625s) started
T12 << 1462334737.33301902 Hartree integrate/restrict (252.00159s) stopped
T12 >> 1462334737.33312607 Hartree integrate/restrict (252.00166s) started
T12 << 1462334737.66954494 Hartree integrate/restrict (252.33808s) stopped
T12 >> 1462334737.66964197 Atomic (1616.82201s) started
T12 >> 1462334737.67160296 XC Correction (0.02250s) started
T12 << 1462334737.67162204 XC Correction (0.02252s) stopped
T12 << 1462334740.04831004 Atomic (1619.20068s) stopped
T12 >> 1462334740.04847193 Communicate (8620.12647s) started
T12 << 1462334756.96058607 Communicate (8637.03859s) stopped
T12 << 1462334756.96062398 Hamiltonian (33679.23013s) stopped
T12 >> 1462334756.96064901 LCAO eigensolver (47368.61774s) started
T12 >> 1462334756.96066189 Potential matrix (707.01314s) started
T12 << 1462334757.94128990 Potential matrix (707.99377s) stopped
T12 >> 1462334757.94137502 DistributedAtomicCorrection (298.08966s) started
T12 << 1462334758.39442396 DistributedAtomicCorrection (298.54271s) stopped
T12 >> 1462334758.39448810 Distribute overlap matrix (5484.10295s) started
T12 >> 1462334758.39451003 blocked summation (3061.42081s) started
T12 << 1462334763.06937099 blocked summation (3066.09567s) stopped
T12 >> 1462334763.07861304 Scalapack redistribute (2415.55435s) started
T12 << 1462334766.83647394 Scalapack redistribute (2419.31221s) stopped
T12 << 1462334766.83657289 Distribute overlap matrix (5492.54503s) stopped
T12 >> 1462334766.84122491 Blacs Orbital Layouts (39589.27847s) started
T12 >> 1462334766.85001493 General diagonalize (39431.23171s) started
T12 << 1462334819.94642305 General diagonalize (39484.32811s) stopped
T12 >> 1462334819.94650006 Redistribute coefs (6.03173s) started
T12 << 1462334819.95568991 Redistribute coefs (6.04092s) stopped
T12 >> 1462334819.95573401 Send coefs to domains (145.37195s) started
T12 << 1462334820.07200289 Send coefs to domains (145.48822s) stopped
T12 << 1462334820.07240701 Blacs Orbital Layouts (39642.50966s) stopped
T12 >> 1462334820.07243991 Calculate projections (1286.55261s) started
T12 << 1462334821.84081507 Calculate projections (1288.32099s) stopped
T12 << 1462334821.84100604 LCAO eigensolver (47433.49809s) stopped
T12 >> 1462334824.91634202 Density (11154.74831s) started
T12 >> 1462334824.91635609 Pseudo density (8602.21837s) started
T12 >> 1462334824.91914701 Calculate density matrix (8077.18157s) started
T12 << 1462334837.00738096 Calculate density matrix (8089.26980s) stopped
T12 >> 1462334837.00743008 Construct density (511.36339s) started
T12 << 1462334837.78650808 Construct density (512.14247s) stopped
T12 >> 1462334837.80276299 Symmetrize density (0.05778s) started
T12 << 1462334837.80282402 Symmetrize density (0.05784s) stopped
T12 << 1462334837.80527091 Pseudo density (8615.10728s) stopped
T12 >> 1462334837.80533004 Atomic density matrices (2253.45774s) started
T12 << 1462334841.25270700 Atomic density matrices (2256.90511s) stopped
T12 >> 1462334841.25274110 Multipole moments (8.38441s) started
T12 << 1462334841.26810288 Multipole moments (8.39977s) stopped
T12 >> 1462334841.26813412 Normalize (4.58779s) started
T12 << 1462334841.27504802 Normalize (4.59470s) stopped
T12 >> 1462334841.27508593 Mix (286.04624s) started
T12 << 1462334841.65969706 Mix (286.43085s) stopped
T12 << 1462334841.65976000 Density (11171.49173s) stopped
T12 >> 1462334841.65978694 Hamiltonian (33679.23014s) started
T12 >> 1462334841.65980792 vbar (18.11572s) started
T12 << 1462334841.68199801 vbar (18.13791s) stopped
T12 >> 1462334841.68209791 XC 3D grid (19153.45387s) started
T12 >> 1462334842.28517294 van der Waals (18498.75292s) started
T12 >> 1462334842.39570498 semilocal (3908.58840s) started
T12 << 1462334848.15180612 semilocal (3914.34450s) stopped
T12 >> 1462334848.23414111 redistribute (1989.67993s) started
T12 << 1462334849.29578805 redistribute (1990.74157s) stopped
T12 >> 1462334849.29583693 libvdwxc nonlocal (12471.41639s) started
T12 << 1462334867.82459092 libvdwxc nonlocal (12489.94514s) stopped
T12 >> 1462334867.82465601 redistribute (1990.74161s) started
T12 << 1462334869.66072798 redistribute (1992.57768s) stopped
T12 << 1462334869.66262794 van der Waals (18526.13038s) stopped
T12 << 1462334870.10200810 XC 3D grid (19181.87378s) stopped
T12 >> 1462334870.10205007 Poisson (3998.81727s) started
T12 << 1462334874.54576707 Poisson (4003.26098s) stopped
T12 >> 1462334874.54584908 Hartree integrate/restrict (252.33812s) started
T12 << 1462334874.58836007 Hartree integrate/restrict (252.38063s) stopped
T12 >> 1462334874.58841991 Hartree integrate/restrict (252.38067s) started
T12 << 1462334874.91162610 Hartree integrate/restrict (252.70388s) stopped
T12 >> 1462334874.91169500 Atomic (1619.20070s) started
T12 >> 1462334874.91340804 XC Correction (0.02253s) started
T12 << 1462334874.91342211 XC Correction (0.02255s) stopped
T12 << 1462334877.30396390 Atomic (1621.59297s) stopped
T12 >> 1462334877.30412292 Communicate (8637.03861s) started
T12 << 1462334894.22283411 Communicate (8653.95732s) stopped
T12 << 1462334894.22286105 Hamiltonian (33731.79321s) stopped
T12 >> 1462334894.22288203 LCAO eigensolver (47433.49811s) started
T12 >> 1462334894.22289491 Potential matrix (707.99382s) started
T12 << 1462334895.19724202 Potential matrix (708.96816s) stopped
T12 >> 1462334895.19731402 DistributedAtomicCorrection (298.54275s) started
T12 << 1462334895.64460897 DistributedAtomicCorrection (298.99004s) stopped
T12 >> 1462334895.64466810 Distribute overlap matrix (5492.54504s) started
T12 >> 1462334895.64469004 blocked summation (3066.09570s) started
T12 << 1462334900.31666708 blocked summation (3070.76768s) stopped
T12 >> 1462334900.32590294 Scalapack redistribute (2419.31227s) started
T12 << 1462334904.01566696 Scalapack redistribute (2423.00203s) stopped
T12 << 1462334904.01577306 Distribute overlap matrix (5500.91615s) stopped
T12 >> 1462334904.02032590 Blacs Orbital Layouts (39642.50968s) started
T12 >> 1462334904.02902508 General diagonalize (39484.32818s) started
T12 << 1462334960.34385109 General diagonalize (39540.64300s) stopped
T12 >> 1462334960.34389710 Redistribute coefs (6.04095s) started
T12 << 1462334960.35246992 Redistribute coefs (6.04952s) stopped
T12 >> 1462334960.35251498 Send coefs to domains (145.48826s) started
T12 << 1462334960.62234712 Send coefs to domains (145.75809s) stopped
T12 << 1462334960.62268806 Blacs Orbital Layouts (39699.11204s) stopped
T12 >> 1462334960.62272000 Calculate projections (1288.32104s) started
T12 << 1462334962.38931608 Calculate projections (1290.08763s) stopped
T12 << 1462334962.38952589 LCAO eigensolver (47501.66476s) stopped
T12 >> 1462334965.46991301 Density (11171.49174s) started
T12 >> 1462334965.46992898 Pseudo density (8615.10733s) started
T12 >> 1462334965.47248507 Calculate density matrix (8089.26983s) started
T12 << 1462334977.33051801 Calculate density matrix (8101.12787s) stopped
T12 >> 1462334977.33056688 Construct density (512.14252s) started
T12 << 1462334978.10963988 Construct density (512.92160s) stopped
T12 >> 1462334978.12605810 Symmetrize density (0.05785s) started
T12 << 1462334978.12612200 Symmetrize density (0.05792s) stopped
T12 << 1462334978.12857389 Pseudo density (8627.76597s) stopped
T12 >> 1462334978.12863111 Atomic density matrices (2256.90514s) started
T12 << 1462334981.54914904 Atomic density matrices (2260.32566s) stopped
T12 >> 1462334981.54918289 Multipole moments (8.39979s) started
T12 << 1462334981.56455398 Multipole moments (8.41516s) stopped
T12 >> 1462334981.56458402 Normalize (4.59473s) started
T12 << 1462334981.57118011 Normalize (4.60133s) stopped
T12 >> 1462334981.57121611 Mix (286.43091s) started
T12 << 1462334982.04320598 Mix (286.90290s) stopped
T12 << 1462334982.04326701 Density (11188.06510s) stopped
T12 >> 1462334982.04329705 Hamiltonian (33731.79323s) started
T12 >> 1462334982.04331207 vbar (18.13796s) started
T12 << 1462334982.06748390 vbar (18.16214s) stopped
T12 >> 1462334982.06758499 XC 3D grid (19181.87381s) started
T12 >> 1462334982.56588602 van der Waals (18526.13043s) started
T12 >> 1462334982.67486811 semilocal (3914.34459s) started
T12 << 1462334988.37160707 semilocal (3920.04133s) stopped
T12 >> 1462334988.46591806 redistribute (1992.57773s) started
T12 << 1462334989.53544688 redistribute (1993.64726s) stopped
T12 >> 1462334989.53549004 libvdwxc nonlocal (12489.94519s) started
T12 << 1462335007.67028093 libvdwxc nonlocal (12508.07998s) stopped
T12 >> 1462335007.67034507 redistribute (1993.64729s) started
T12 << 1462335009.35642791 redistribute (1995.33338s) stopped
T12 << 1462335009.35779500 van der Waals (18552.92234s) stopped
T12 << 1462335009.80447006 XC 3D grid (19209.61069s) stopped
T12 >> 1462335009.80452299 Poisson (4003.26104s) started
T12 << 1462335012.69984508 Poisson (4006.15636s) stopped
T12 >> 1462335012.69996691 Hartree integrate/restrict (252.70391s) started
T12 << 1462335012.74147201 Hartree integrate/restrict (252.74542s) stopped
T12 >> 1462335012.74156690 Hartree integrate/restrict (252.74548s) started
T12 << 1462335013.05289102 Hartree integrate/restrict (253.05680s) stopped
T12 >> 1462335013.05297899 Atomic (1621.59299s) started
T12 >> 1462335013.05474806 XC Correction (0.02256s) started
T12 << 1462335013.05476308 XC Correction (0.02257s) stopped
T12 << 1462335015.44660807 Atomic (1623.98662s) stopped
T12 >> 1462335015.44676399 Communicate (8653.95734s) started
T12 << 1462335032.45806909 Communicate (8670.96865s) stopped
T12 << 1462335032.45810509 Hamiltonian (33782.20803s) stopped
T12 >> 1462335032.45812988 LCAO eigensolver (47501.66478s) started
T12 >> 1462335032.45814300 Potential matrix (708.96821s) started
T12 << 1462335033.43485093 Potential matrix (709.94491s) stopped
T12 >> 1462335033.43493795 DistributedAtomicCorrection (298.99008s) started
T12 << 1462335033.88964009 DistributedAtomicCorrection (299.44478s) stopped
T12 >> 1462335033.88970399 Distribute overlap matrix (5500.91616s) started
T12 >> 1462335033.88972592 blocked summation (3070.76771s) started
T12 << 1462335038.51737809 blocked summation (3075.39536s) stopped
T12 >> 1462335038.52702188 Scalapack redistribute (2423.00210s) started
T12 << 1462335042.23960805 Scalapack redistribute (2426.71468s) stopped
T12 << 1462335042.23970199 Distribute overlap matrix (5509.26616s) stopped
T12 >> 1462335042.24436092 Blacs Orbital Layouts (39699.11206s) started
T12 >> 1462335042.25299501 General diagonalize (39540.64304s) started
T12 << 1462335098.25933504 General diagonalize (39596.64938s) stopped
T12 >> 1462335098.25941110 Redistribute coefs (6.04956s) started
T12 << 1462335098.26881909 Redistribute coefs (6.05896s) stopped
T12 >> 1462335098.26886892 Send coefs to domains (145.75812s) started
T12 << 1462335098.37009597 Send coefs to domains (145.85935s) stopped
T12 << 1462335098.37062407 Blacs Orbital Layouts (39755.23832s) stopped
T12 >> 1462335098.37066388 Calculate projections (1290.08771s) started
T12 << 1462335100.15118599 Calculate projections (1291.86823s) stopped
T12 << 1462335100.15164804 LCAO eigensolver (47569.35829s) stopped
T12 >> 1462335103.21877193 Density (11188.06511s) started
T12 >> 1462335103.21878910 Pseudo density (8627.76602s) started
T12 >> 1462335103.22089601 Calculate density matrix (8101.12790s) started
T12 << 1462335115.00646806 Calculate density matrix (8112.91348s) stopped
T12 >> 1462335115.00652504 Construct density (512.92165s) started
T12 << 1462335115.78634810 Construct density (513.70147s) stopped
T12 >> 1462335115.80032802 Symmetrize density (0.05794s) started
T12 << 1462335115.80040097 Symmetrize density (0.05801s) stopped
T12 << 1462335115.80251193 Pseudo density (8640.34974s) stopped
T12 >> 1462335115.80257893 Atomic density matrices (2260.32568s) started
T12 << 1462335119.26371694 Atomic density matrices (2263.78682s) stopped
T12 >> 1462335119.26375389 Multipole moments (8.41517s) started
T12 << 1462335119.27906394 Multipole moments (8.43048s) stopped
T12 >> 1462335119.27909803 Normalize (4.60135s) started
T12 << 1462335119.28524804 Normalize (4.60750s) stopped
T12 >> 1462335119.28531408 Mix (286.90296s) started
T12 << 1462335119.78416204 Mix (287.40180s) stopped
T12 << 1462335119.78423095 Density (11204.63057s) stopped
T12 >> 1462335119.78426409 Hamiltonian (33782.20805s) started
T12 >> 1462335119.78428102 vbar (18.16219s) started
T12 << 1462335119.81008601 vbar (18.18800s) stopped
T12 >> 1462335119.81020689 XC 3D grid (19209.61074s) started
T12 >> 1462335120.29714203 van der Waals (18552.92239s) started
T12 >> 1462335120.41098094 semilocal (3920.04145s) started
T12 << 1462335126.13876700 semilocal (3925.76923s) stopped
T12 >> 1462335126.21274495 redistribute (1995.33342s) started
T12 << 1462335127.28341889 redistribute (1996.40409s) stopped
T12 >> 1462335127.28347993 libvdwxc nonlocal (12508.08003s) started
T12 << 1462335145.59358096 libvdwxc nonlocal (12526.39013s) stopped
T12 >> 1462335145.59366298 redistribute (1996.40413s) started
T12 << 1462335147.65052700 redistribute (1998.46099s) stopped
T12 << 1462335147.65142703 van der Waals (18580.27667s) stopped
T12 << 1462335148.10486293 XC 3D grid (19237.90539s) stopped
T12 >> 1462335148.10492992 Poisson (4006.15646s) started
T12 << 1462335152.44787693 Poisson (4010.49941s) stopped
T12 >> 1462335152.44795489 Hartree integrate/restrict (253.05685s) started
T12 << 1462335152.49467492 Hartree integrate/restrict (253.10357s) stopped
T12 >> 1462335152.49473000 Hartree integrate/restrict (253.10360s) started
T12 << 1462335152.81246591 Hartree integrate/restrict (253.42134s) stopped
T12 >> 1462335152.81253791 Atomic (1623.98665s) started
T12 >> 1462335152.81425309 XC Correction (0.02258s) started
T12 << 1462335152.81426692 XC Correction (0.02260s) stopped
T12 << 1462335155.20018101 Atomic (1626.37429s) stopped
T12 >> 1462335155.20033503 Communicate (8670.96867s) started
T12 << 1462335172.30491590 Communicate (8688.07325s) stopped
T12 << 1462335172.30494809 Hamiltonian (33834.72873s) stopped
T12 >> 1462335172.30497193 LCAO eigensolver (47569.35831s) started
T12 >> 1462335172.30498505 Potential matrix (709.94497s) started
T12 << 1462335173.29599094 Potential matrix (710.93597s) stopped
T12 >> 1462335173.29608107 DistributedAtomicCorrection (299.44482s) started
T12 << 1462335173.74941492 DistributedAtomicCorrection (299.89816s) stopped
T12 >> 1462335173.74947810 Distribute overlap matrix (5509.26617s) started
T12 >> 1462335173.74949908 blocked summation (3075.39539s) started
T12 << 1462335178.39427710 blocked summation (3080.04017s) stopped
T12 >> 1462335178.40370703 Scalapack redistribute (2426.71474s) started
T12 << 1462335182.03772712 Scalapack redistribute (2430.34876s) stopped
T12 << 1462335182.03780890 Distribute overlap matrix (5517.55450s) stopped
T12 >> 1462335182.04263091 Blacs Orbital Layouts (39755.23834s) started
T12 >> 1462335182.05142808 General diagonalize (39596.64945s) started
T12 << 1462335235.47233200 General diagonalize (39650.07035s) stopped
T12 >> 1462335235.47237706 Redistribute coefs (6.05900s) started
T12 << 1462335235.48112297 Redistribute coefs (6.06775s) stopped
T12 >> 1462335235.48116589 Send coefs to domains (145.85939s) started
T12 << 1462335235.62599611 Send coefs to domains (146.00422s) stopped
T12 << 1462335235.62649488 Blacs Orbital Layouts (39808.82221s) stopped
T12 >> 1462335235.62652802 Calculate projections (1291.86829s) started
T12 << 1462335237.39498806 Calculate projections (1293.63675s) stopped
T12 << 1462335237.39535403 LCAO eigensolver (47634.44870s) stopped
T12 << 1462335240.48660707 SCF-cycle (94999.92655s) stopped
T12 >> 1462335242.81864905 Force calculation (4413.74369s) started
T12 >> 1462335242.81873202 LCAO forces (4365.82094s) started
T12 >> 1462335242.81909704 Initial (0.00127s) started
T12 << 1462335242.81910801 Initial (0.00128s) stopped
T12 >> 1462335242.82593894 Get density matrix (2276.29584s) started
T12 << 1462335251.97232294 Get density matrix (2285.44223s) stopped
T12 >> 1462335251.97236490 Potential (344.17027s) started
T12 << 1462335258.21923995 Potential (350.41714s) stopped
T12 >> 1462335258.21930003 Get density matrix (2285.44226s) started
T12 << 1462335289.70685291 Get density matrix (2316.92981s) stopped
T12 >> 1462335289.70691490 Prepare TCI loop (121.74436s) started
T12 >> 1462335289.70742989 Get neighbors (109.33245s) started
T12 << 1462335291.65054989 Get neighbors (111.27557s) stopped
T12 >> 1462335291.65089202 broadcast dH (12.34535s) started
T12 << 1462335292.00526810 broadcast dH (12.69973s) stopped
T12 << 1462335292.00531101 Prepare TCI loop (124.04276s) stopped
T12 >> 1462335292.00533104 Not so complicated loop (6.68959s) started
T12 << 1462335292.12251306 Not so complicated loop (6.80677s) stopped
T12 >> 1462335292.23990893 Complicated loop (1056.29316s) started
T12 << 1462335311.74808002 Complicated loop (1075.80133s) stopped
T12 >> 1462335311.75037599 Wait for sum (553.41996s) started
T12 << 1462335322.89658594 Wait for sum (564.56617s) stopped
T12 << 1462335322.89662504 LCAO forces (4445.89883s) stopped
T12 << 1462335323.73527288 Force calculation (4494.66032s) stopped
T12 >> 1462335323.75315404 Initialization (7367.26214s) started
T12 << 1462335323.75332403 Initialization (7367.26231s) stopped
T12 >> 1462335323.75356197 Initialization (7367.26233s) started
T12 << 1462335323.75370002 Initialization (7367.26247s) stopped
T12 >> 1462335323.75384402 Initialization (7367.26248s) started
T12 << 1462335323.75397706 Initialization (7367.26261s) stopped
T12 >> 1462335344.02688003 Initialization (7367.26264s) started
T12 >> 1462335344.15988398 Basic WFS set positions (5.04157s) started
T12 >> 1462335344.15990996 Redistribute (0.01516s) started
T12 << 1462335344.16004300 Redistribute (0.01529s) stopped
T12 << 1462335344.25002408 Basic WFS set positions (5.13171s) stopped
T12 >> 1462335344.25005388 Basis functions set positions (105.68639s) started
T12 << 1462335346.22477508 Basis functions set positions (107.66112s) stopped
T12 >> 1462335346.22574210 TCI: Calculate S, T, P (876.76792s) started
T12 << 1462335362.03108501 TCI: Calculate S, T, P (892.57327s) stopped
T12 >> 1462335362.03114510 blocked summation (1411.66553s) started
T12 << 1462335395.25929809 blocked summation (1444.89369s) stopped
T12 >> 1462335395.26891208 Scalapack redistribute (522.55299s) started
T12 << 1462335402.63641596 Scalapack redistribute (529.92050s) stopped
T12 >> 1462335402.63752794 blocked summation (1444.89375s) started
T12 << 1462335403.65161109 blocked summation (1445.90784s) stopped
T12 >> 1462335403.66156793 Scalapack redistribute (529.92056s) started
T12 << 1462335403.90341496 Scalapack redistribute (530.16241s) stopped
T12 >> 1462335403.90541792 Redistribute (0.11576s) started
T12 << 1462335403.90595102 Redistribute (0.11630s) stopped
T12 >> 1462335405.68929005 Redistribute (0.11631s) started
T12 << 1462335405.68974209 Redistribute (0.11677s) stopped
T12 >> 1462335405.70535707 LCAO WFS Initialize (4333.55493s) started
T12 >> 1462335405.70543694 Density initialize from wavefunctions (817.98403s) started
T12 >> 1462335405.71244407 Calculate density matrix (565.10221s) started
T12 << 1462335415.54348612 Calculate density matrix (574.93325s) stopped
T12 >> 1462335415.54353499 Construct density (43.12482s) started
T12 << 1462335416.32296491 Construct density (43.90425s) stopped
T12 >> 1462335416.33697605 Symmetrize density (0.00473s) started
T12 << 1462335416.33703208 Symmetrize density (0.00479s) stopped
T12 << 1462335420.17141891 Density initialize from wavefunctions (832.45001s) stopped
T12 >> 1462335420.17186809 Hamiltonian (3514.63922s) started
T12 >> 1462335420.17189097 vbar (1.61103s) started
T12 << 1462335420.19906712 vbar (1.63820s) stopped
T12 >> 1462335420.19922400 XC 3D grid (1651.02656s) started
T12 >> 1462335420.71917200 van der Waals (1594.89742s) started
T12 >> 1462335420.82893801 semilocal (335.99441s) started
T12 << 1462335426.58613992 semilocal (341.75161s) stopped
T12 >> 1462335426.67013001 redistribute (181.79577s) started
T12 << 1462335427.73085999 redistribute (182.85650s) stopped
T12 >> 1462335427.73091197 libvdwxc nonlocal (1065.98272s) started
T12 << 1462335445.95033002 libvdwxc nonlocal (1084.20214s) stopped
T12 >> 1462335445.95039511 redistribute (182.85653s) started
T12 << 1462335447.74453712 redistribute (184.65068s) stopped
T12 << 1462335447.74556208 van der Waals (1621.92381s) stopped
T12 << 1462335448.21285796 XC 3D grid (1679.04019s) stopped
T12 >> 1462335448.21291399 Poisson (834.27390s) started
T12 << 1462335459.94495296 Poisson (846.00594s) stopped
T12 >> 1462335459.94510388 Hartree integrate/restrict (21.67382s) started
T12 << 1462335459.99443889 Hartree integrate/restrict (21.72315s) stopped
T12 >> 1462335459.99452305 Hartree integrate/restrict (21.72321s) started
T12 << 1462335460.32742596 Hartree integrate/restrict (22.05611s) stopped
T12 >> 1462335460.32751989 Atomic (137.58492s) started
T12 >> 1462335460.32959509 XC Correction (0.00211s) started
T12 << 1462335460.32961011 XC Correction (0.00212s) stopped
T12 << 1462335462.71857500 Atomic (139.97597s) stopped
T12 >> 1462335462.71874189 Communicate (868.42011s) started
T12 << 1462335481.46410394 Communicate (887.16547s) stopped
T12 << 1462335481.46414089 Hamiltonian (3575.93149s) stopped
T12 << 1462335481.46415496 LCAO WFS Initialize (4409.31373s) stopped
T12 << 1462335481.47633290 Initialization (7504.71209s) stopped
T12 >> 1462335481.50238490 SCF-cycle (94999.92657s) started
T12 >> 1462335481.50241804 LCAO eigensolver (47634.44871s) started
T12 >> 1462335481.50243092 Potential matrix (710.93603s) started
T12 << 1462335482.47925997 Potential matrix (711.91286s) stopped
T12 >> 1462335482.47934699 DistributedAtomicCorrection (299.89820s) started
T12 << 1462335482.93313003 DistributedAtomicCorrection (300.35198s) stopped
T12 >> 1462335482.93317699 Distribute overlap matrix (5517.55452s) started
T12 >> 1462335482.93321800 blocked summation (3080.04020s) started
T12 << 1462335487.62234807 blocked summation (3084.72933s) stopped
T12 >> 1462335487.63192391 Scalapack redistribute (2430.34880s) started
T12 << 1462335491.26833296 Scalapack redistribute (2433.98520s) stopped
T12 << 1462335491.26842690 Distribute overlap matrix (5525.88977s) stopped
T12 >> 1462335491.27233696 Blacs Orbital Layouts (39808.82223s) started
T12 >> 1462335491.28129911 General diagonalize (39650.07039s) started
T12 << 1462335547.80959392 General diagonalize (39706.59868s) stopped
T12 >> 1462335547.80964994 Redistribute coefs (6.06778s) started
T12 << 1462335547.81845307 Redistribute coefs (6.07658s) stopped
T12 >> 1462335547.81851506 Send coefs to domains (146.00425s) started
T12 << 1462335547.92688489 Send coefs to domains (146.11262s) stopped
T12 << 1462335547.92735410 Blacs Orbital Layouts (39865.47724s) stopped
T12 >> 1462335547.92738605 Calculate projections (1293.63680s) started
T12 << 1462335549.70774794 Calculate projections (1295.41717s) stopped
T12 << 1462335549.70826888 LCAO eigensolver (47702.65457s) stopped
T12 >> 1462335552.77773309 Density (11204.63058s) started
T12 >> 1462335552.77774906 Pseudo density (8640.34980s) started
T12 >> 1462335552.78081608 Calculate density matrix (8112.91351s) started
T12 << 1462335564.60402989 Calculate density matrix (8124.73673s) stopped
T12 >> 1462335564.60408592 Construct density (513.70153s) started
T12 << 1462335565.38456893 Construct density (514.48201s) stopped
T12 >> 1462335565.40082192 Symmetrize density (0.05803s) started
T12 << 1462335565.40089893 Symmetrize density (0.05810s) stopped
T12 << 1462335565.40338898 Pseudo density (8652.97544s) stopped
T12 >> 1462335565.40345693 Atomic density matrices (2263.78685s) started
T12 << 1462335569.02380204 Atomic density matrices (2267.40719s) stopped
T12 >> 1462335569.02384090 Multipole moments (8.43050s) started
T12 << 1462335569.03884602 Multipole moments (8.44550s) stopped
T12 >> 1462335569.03887105 Normalize (4.60755s) started
T12 << 1462335569.04561305 Normalize (4.61429s) stopped
T12 >> 1462335569.04565907 Mix (287.40187s) started
T12 << 1462335569.40228701 Mix (287.75850s) stopped
T12 << 1462335569.40234590 Density (11221.25519s) stopped
T12 >> 1462335569.40237188 Hamiltonian (33834.72875s) started
T12 >> 1462335569.40238595 vbar (18.18807s) started
T12 << 1462335569.42328095 vbar (18.20896s) stopped
T12 >> 1462335569.42338896 XC 3D grid (19237.90545s) started
T12 >> 1462335570.01427507 van der Waals (18580.27669s) started
T12 >> 1462335570.12160611 semilocal (3925.76933s) started
T12 << 1462335575.86341095 semilocal (3931.51113s) stopped
T12 >> 1462335575.93944097 redistribute (1998.46106s) started
T12 << 1462335576.96760702 redistribute (1999.48922s) stopped
T12 >> 1462335576.96767092 libvdwxc nonlocal (12526.39019s) started
T12 << 1462335595.25347805 libvdwxc nonlocal (12544.67600s) stopped
T12 >> 1462335595.25353694 redistribute (1999.48927s) started
T12 << 1462335597.08966398 redistribute (2001.32540s) stopped
T12 << 1462335597.09079289 van der Waals (18607.35321s) stopped
T12 << 1462335597.55697703 XC 3D grid (19266.03903s) stopped
T12 >> 1462335597.55701590 Poisson (4010.49947s) started
T12 << 1462335601.95543408 Poisson (4014.89789s) stopped
T12 >> 1462335601.95550489 Hartree integrate/restrict (253.42137s) started
T12 << 1462335601.99884796 Hartree integrate/restrict (253.46471s) stopped
T12 >> 1462335601.99888992 Hartree integrate/restrict (253.46474s) started
T12 << 1462335602.34298396 Hartree integrate/restrict (253.80883s) stopped
T12 >> 1462335602.34308290 Atomic (1626.37431s) started
T12 >> 1462335602.34495401 XC Correction (0.02261s) started
T12 << 1462335602.34497094 XC Correction (0.02262s) stopped
T12 << 1462335604.72839594 Atomic (1628.75962s) stopped
T12 >> 1462335604.72856903 Communicate (8688.07327s) started
T12 << 1462335623.47596502 Communicate (8706.82067s) stopped
T12 << 1462335623.47600198 Hamiltonian (33888.80238s) stopped
T12 >> 1462335623.47602797 LCAO eigensolver (47702.65462s) started
T12 >> 1462335623.47604108 Potential matrix (711.91291s) started
T12 << 1462335624.45181108 Potential matrix (712.88868s) stopped
T12 >> 1462335624.45188093 DistributedAtomicCorrection (300.35202s) started
T12 << 1462335624.89958811 DistributedAtomicCorrection (300.79973s) stopped
T12 >> 1462335624.89963388 Distribute overlap matrix (5525.88978s) started
T12 >> 1462335624.89966512 blocked summation (3084.72938s) started
T12 << 1462335629.59433198 blocked summation (3089.42405s) stopped
T12 >> 1462335629.60391808 Scalapack redistribute (2433.98526s) started
T12 << 1462335633.24793410 Scalapack redistribute (2437.62928s) stopped
T12 << 1462335633.24803495 Distribute overlap matrix (5534.23818s) stopped
T12 >> 1462335633.25185299 Blacs Orbital Layouts (39865.47726s) started
T12 >> 1462335633.26031995 General diagonalize (39706.59873s) started
T12 << 1462335688.94988489 General diagonalize (39762.28829s) stopped
T12 >> 1462335688.94993806 Redistribute coefs (6.07663s) started
T12 << 1462335688.95882297 Redistribute coefs (6.08552s) stopped
T12 >> 1462335688.95887089 Send coefs to domains (146.11266s) started
T12 << 1462335689.59157991 Send coefs to domains (146.74537s) stopped
T12 << 1462335689.59202099 Blacs Orbital Layouts (39921.81743s) stopped
T12 >> 1462335689.59205198 Calculate projections (1295.41722s) started
T12 << 1462335691.37218904 Calculate projections (1297.19736s) stopped
T12 << 1462335691.37269592 LCAO eigensolver (47770.55129s) stopped
T12 >> 1462335694.44844294 Density (11221.25521s) started
T12 >> 1462335694.44846010 Pseudo density (8652.97549s) started
T12 >> 1462335694.45150900 Calculate density matrix (8124.73677s) started
T12 << 1462335706.25241899 Calculate density matrix (8136.53768s) stopped
T12 >> 1462335706.25247598 Construct density (514.48207s) started
T12 << 1462335707.03332305 Construct density (515.26292s) stopped
T12 >> 1462335707.05022192 Symmetrize density (0.05812s) started
T12 << 1462335707.05029988 Symmetrize density (0.05820s) stopped
T12 << 1462335707.05275607 Pseudo density (8665.57979s) stopped
T12 >> 1462335707.05282903 Atomic density matrices (2267.40722s) started
T12 << 1462335710.67358208 Atomic density matrices (2271.02798s) stopped
T12 >> 1462335710.67361808 Multipole moments (8.44552s) started
T12 << 1462335710.68903303 Multipole moments (8.46094s) stopped
T12 >> 1462335710.68905807 Normalize (4.61432s) started
T12 << 1462335710.69557905 Normalize (4.62084s) stopped
T12 >> 1462335710.69562507 Mix (287.75856s) started
T12 << 1462335711.06687307 Mix (288.12980s) stopped
T12 << 1462335711.06692410 Density (11237.87369s) stopped
T12 >> 1462335711.06695294 Hamiltonian (33888.80239s) started
T12 >> 1462335711.06696796 vbar (18.20902s) started
T12 << 1462335711.09796500 vbar (18.24002s) stopped
T12 >> 1462335711.09813809 XC 3D grid (19266.03906s) started
T12 >> 1462335711.57879996 van der Waals (18607.35324s) started
T12 >> 1462335711.69321489 semilocal (3931.51122s) started
T12 << 1462335717.42833400 semilocal (3937.24634s) stopped
T12 >> 1462335717.50259089 redistribute (2001.32545s) started
T12 << 1462335718.58604002 redistribute (2002.40890s) stopped
T12 >> 1462335718.58610892 libvdwxc nonlocal (12544.67605s) started
T12 << 1462335736.69626594 libvdwxc nonlocal (12562.78620s) stopped
T12 >> 1462335736.69633603 redistribute (2002.40896s) started
T12 << 1462335738.69168901 redistribute (2004.40431s) stopped
T12 << 1462335738.69286990 van der Waals (18634.46731s) stopped
T12 << 1462335739.15972590 XC 3D grid (19294.10065s) stopped
T12 >> 1462335739.15977192 Poisson (4014.89794s) started
T12 << 1462335746.73599792 Poisson (4022.47417s) stopped
T12 >> 1462335746.73608398 Hartree integrate/restrict (253.80888s) started
T12 << 1462335746.79176688 Hartree integrate/restrict (253.86457s) stopped
T12 >> 1462335746.79181600 Hartree integrate/restrict (253.86460s) started
T12 << 1462335747.11635303 Hartree integrate/restrict (254.18914s) stopped
T12 >> 1462335747.11645389 Atomic (1628.75965s) started
T12 >> 1462335747.11820602 XC Correction (0.02263s) started
T12 << 1462335747.11822104 XC Correction (0.02265s) stopped
T12 << 1462335749.53532505 Atomic (1631.17852s) stopped
T12 >> 1462335749.53549600 Communicate (8706.82069s) started
T12 << 1462335768.34363008 Communicate (8725.62883s) stopped
T12 << 1462335768.34366798 Hamiltonian (33946.07910s) stopped
T12 >> 1462335768.34369302 LCAO eigensolver (47770.55131s) started
T12 >> 1462335768.34370589 Potential matrix (712.88872s) started
T12 << 1462335769.32722592 Potential matrix (713.87224s) stopped
T12 >> 1462335769.32731104 DistributedAtomicCorrection (300.79976s) started
T12 << 1462335769.77285194 DistributedAtomicCorrection (301.24531s) stopped
T12 >> 1462335769.77289891 Distribute overlap matrix (5534.23819s) started
T12 >> 1462335769.77293205 blocked summation (3089.42410s) started
T12 << 1462335774.46777010 blocked summation (3094.11894s) stopped
T12 >> 1462335774.47702694 Scalapack redistribute (2437.62934s) started
T12 << 1462335778.02543807 Scalapack redistribute (2441.17775s) stopped
T12 << 1462335778.02554202 Distribute overlap matrix (5542.49083s) stopped
T12 >> 1462335778.02959204 Blacs Orbital Layouts (39921.81745s) started
T12 >> 1462335778.03805304 General diagonalize (39762.28834s) started
T12 << 1462335835.33979201 General diagonalize (39819.59007s) stopped
T12 >> 1462335835.33983994 Redistribute coefs (6.08555s) started
T12 << 1462335835.34731698 Redistribute coefs (6.09303s) stopped
T12 >> 1462335835.34741712 Send coefs to domains (146.74541s) started
T12 << 1462335835.43843293 Send coefs to domains (146.83643s) stopped
T12 << 1462335835.43890405 Blacs Orbital Layouts (39979.22676s) stopped
T12 >> 1462335835.43893194 Calculate projections (1297.19741s) started
T12 << 1462335837.20658898 Calculate projections (1298.96507s) stopped
T12 << 1462335837.20678306 LCAO eigensolver (47839.41440s) stopped
T12 >> 1462335840.28814197 Density (11237.87370s) started
T12 >> 1462335840.28815794 Pseudo density (8665.57984s) started
T12 >> 1462335840.29150605 Calculate density matrix (8136.53772s) started
T12 << 1462335853.18233991 Calculate density matrix (8149.42855s) stopped
T12 >> 1462335853.18238711 Construct density (515.26298s) started
T12 << 1462335853.96225095 Construct density (516.04284s) stopped
T12 >> 1462335853.97629595 Symmetrize density (0.05822s) started
T12 << 1462335853.97636104 Symmetrize density (0.05828s) stopped
T12 << 1462335853.97843289 Pseudo density (8679.27012s) stopped
T12 >> 1462335853.97848797 Atomic density matrices (2271.02800s) started
T12 << 1462335857.54676795 Atomic density matrices (2274.59628s) stopped
T12 >> 1462335857.54680395 Multipole moments (8.46095s) started
T12 << 1462335857.56253195 Multipole moments (8.47668s) stopped
T12 >> 1462335857.56256294 Normalize (4.62088s) started
T12 << 1462335857.56873894 Normalize (4.62705s) stopped
T12 >> 1462335857.56880093 Mix (288.12985s) started
T12 << 1462335857.94118404 Mix (288.50224s) stopped
T12 << 1462335857.94127011 Density (11255.52683s) stopped
T12 >> 1462335857.94130206 Hamiltonian (33946.07912s) started
T12 >> 1462335857.94131804 vbar (18.24011s) started
T12 << 1462335857.96735096 vbar (18.26615s) stopped
T12 >> 1462335857.96742702 XC 3D grid (19294.10069s) started
T12 >> 1462335858.49059701 van der Waals (18634.46733s) started
T12 >> 1462335858.59984398 semilocal (3937.24644s) started
T12 << 1462335864.32051992 semilocal (3942.96712s) stopped
T12 >> 1462335864.39522791 redistribute (2004.40437s) started
T12 << 1462335865.44641089 redistribute (2005.45556s) stopped
T12 >> 1462335865.44645405 libvdwxc nonlocal (12562.78626s) started
T12 << 1462335883.68029499 libvdwxc nonlocal (12581.02010s) stopped
T12 >> 1462335883.68036199 redistribute (2005.45559s) started
T12 << 1462335885.48824096 redistribute (2007.26347s) stopped
T12 << 1462335885.48909903 van der Waals (18661.46583s) stopped
T12 << 1462335885.95684791 XC 3D grid (19322.09011s) stopped
T12 >> 1462335885.95690989 Poisson (4022.47423s) started
T12 << 1462335891.78807402 Poisson (4028.30539s) stopped
T12 >> 1462335891.78817201 Hartree integrate/restrict (254.18919s) started
T12 << 1462335891.83230901 Hartree integrate/restrict (254.23333s) stopped
T12 >> 1462335891.83235407 Hartree integrate/restrict (254.23335s) started
T12 << 1462335892.14833593 Hartree integrate/restrict (254.54934s) stopped
T12 >> 1462335892.14842510 Atomic (1631.17854s) started
T12 >> 1462335892.15021610 XC Correction (0.02266s) started
T12 << 1462335892.15022993 XC Correction (0.02267s) stopped
T12 << 1462335894.58084798 Atomic (1633.61096s) stopped
T12 >> 1462335894.58102798 Communicate (8725.62885s) started
T12 << 1462335913.21353412 Communicate (8744.26136s) stopped
T12 << 1462335913.21357298 Hamiltonian (34001.35139s) stopped
T12 >> 1462335913.21359897 LCAO eigensolver (47839.41442s) started
T12 >> 1462335913.21361208 Potential matrix (713.87229s) started
T12 << 1462335914.20071697 Potential matrix (714.85939s) stopped
T12 >> 1462335914.20079088 DistributedAtomicCorrection (301.24534s) started
T12 << 1462335914.64600205 DistributedAtomicCorrection (301.69056s) stopped
T12 >> 1462335914.64604902 Distribute overlap matrix (5542.49085s) started
T12 >> 1462335914.64607811 blocked summation (3094.11897s) started
T12 << 1462335919.36145401 blocked summation (3098.83435s) stopped
T12 >> 1462335919.37041712 Scalapack redistribute (2441.17781s) started
T12 << 1462335922.90255404 Scalapack redistribute (2444.70994s) stopped
T12 << 1462335922.90264893 Distribute overlap matrix (5550.74745s) stopped
T12 >> 1462335922.90655088 Blacs Orbital Layouts (39979.22678s) started
T12 >> 1462335922.91555595 General diagonalize (39819.59011s) started
T12 << 1462335976.84308410 General diagonalize (39873.51764s) stopped
T12 >> 1462335976.84313107 Redistribute coefs (6.09311s) started
T12 << 1462335976.85054493 Redistribute coefs (6.10053s) stopped
T12 >> 1462335976.85063601 Send coefs to domains (146.83646s) started
T12 << 1462335976.95615101 Send coefs to domains (146.94197s) stopped
T12 << 1462335976.95658398 Blacs Orbital Layouts (40033.27681s) stopped
T12 >> 1462335976.95661211 Calculate projections (1298.96512s) started
T12 << 1462335978.72590303 Calculate projections (1300.73441s) stopped
T12 << 1462335978.72609091 LCAO eigensolver (47904.92691s) stopped
T12 >> 1462335981.82333803 Density (11255.52685s) started
T12 >> 1462335981.82335305 Pseudo density (8679.27016s) started
T12 >> 1462335981.82598090 Calculate density matrix (8149.42858s) started
T12 << 1462335994.88143301 Calculate density matrix (8162.48403s) stopped
T12 >> 1462335994.88147998 Construct density (516.04289s) started
T12 << 1462335995.66111708 Construct density (516.82253s) stopped
T12 >> 1462335995.67517996 Symmetrize density (0.05830s) started
T12 << 1462335995.67524409 Symmetrize density (0.05836s) stopped
T12 << 1462335995.67730308 Pseudo density (8693.12411s) stopped
T12 >> 1462335995.67735910 Atomic density matrices (2274.59631s) started
T12 << 1462335999.26284003 Atomic density matrices (2278.18179s) stopped
T12 >> 1462335999.26287293 Multipole moments (8.47670s) started
T12 << 1462335999.27801991 Multipole moments (8.49184s) stopped
T12 >> 1462335999.27804995 Normalize (4.62710s) started
T12 << 1462335999.28429008 Normalize (4.63334s) stopped
T12 >> 1462335999.28433990 Mix (288.50232s) started
T12 << 1462335999.65917802 Mix (288.87716s) stopped
T12 << 1462335999.65923405 Density (11273.36274s) stopped
T12 >> 1462335999.65926099 Hamiltonian (34001.35140s) started
T12 >> 1462335999.65927601 vbar (18.26619s) started
T12 << 1462335999.68108106 vbar (18.28800s) stopped
T12 >> 1462335999.68116593 XC 3D grid (19322.09016s) started
T12 >> 1462336000.34591889 van der Waals (18661.46586s) started
T12 >> 1462336000.45493698 semilocal (3942.96720s) started
T12 << 1462336006.16395593 semilocal (3948.67622s) stopped
T12 >> 1462336006.24632812 redistribute (2007.26353s) started
T12 << 1462336007.32131290 redistribute (2008.33851s) stopped
T12 >> 1462336007.32136512 libvdwxc nonlocal (12581.02015s) started
T12 << 1462336025.71282291 libvdwxc nonlocal (12599.41161s) stopped
T12 >> 1462336025.71288800 redistribute (2008.33855s) started
T12 << 1462336027.50676799 redistribute (2010.13243s) stopped
T12 << 1462336027.50763893 van der Waals (18688.62758s) stopped
T12 << 1462336027.97728300 XC 3D grid (19350.38628s) stopped
T12 >> 1462336027.97733808 Poisson (4028.30547s) started
T12 << 1462336032.42111611 Poisson (4032.74924s) stopped
T12 >> 1462336032.42119789 Hartree integrate/restrict (254.54938s) started
T12 << 1462336032.46570110 Hartree integrate/restrict (254.59389s) stopped
T12 >> 1462336032.46574306 Hartree integrate/restrict (254.59391s) started
T12 << 1462336032.77643991 Hartree integrate/restrict (254.90461s) stopped
T12 >> 1462336032.77654099 Atomic (1633.61099s) started
T12 >> 1462336032.77833200 XC Correction (0.02268s) started
T12 << 1462336032.77834606 XC Correction (0.02270s) stopped
T12 << 1462336035.20452094 Atomic (1636.03897s) stopped
T12 >> 1462336035.20469403 Communicate (8744.26138s) started
T12 << 1462336053.04270506 Communicate (8762.09940s) stopped
T12 << 1462336053.04274106 Hamiltonian (34054.73488s) stopped
T12 >> 1462336053.04276705 LCAO eigensolver (47904.92693s) started
T12 >> 1462336053.04278302 Potential matrix (714.85944s) started
T12 << 1462336054.02740502 Potential matrix (715.84406s) stopped
T12 >> 1462336054.02751803 DistributedAtomicCorrection (301.69059s) started
T12 << 1462336054.48428106 DistributedAtomicCorrection (302.14736s) stopped
T12 >> 1462336054.48434806 Distribute overlap matrix (5550.74746s) started
T12 >> 1462336054.48436999 blocked summation (3098.83440s) started
T12 << 1462336059.19202495 blocked summation (3103.54205s) stopped
T12 >> 1462336059.20198107 Scalapack redistribute (2444.71000s) started
T12 << 1462336062.72716808 Scalapack redistribute (2448.23518s) stopped
T12 << 1462336062.72727108 Distribute overlap matrix (5558.99038s) stopped
T12 >> 1462336062.73121810 Blacs Orbital Layouts (40033.27683s) started
T12 >> 1462336062.73984194 General diagonalize (39873.51768s) started
T12 << 1462336118.48326206 General diagonalize (39929.26110s) stopped
T12 >> 1462336118.48331094 Redistribute coefs (6.10060s) started
T12 << 1462336118.49102306 Redistribute coefs (6.10831s) stopped
T12 >> 1462336118.49110889 Send coefs to domains (146.94201s) started
T12 << 1462336118.65283990 Send coefs to domains (147.10374s) stopped
T12 << 1462336118.65327191 Blacs Orbital Layouts (40089.19889s) stopped
T12 >> 1462336118.65333605 Calculate projections (1300.73446s) started
T12 << 1462336120.42005205 Calculate projections (1302.50118s) stopped
T12 << 1462336120.42023492 LCAO eigensolver (47972.30440s) stopped
T12 >> 1462336123.49241590 Density (11273.36276s) started
T12 >> 1462336123.49242997 Pseudo density (8693.12416s) started
T12 >> 1462336123.49497700 Calculate density matrix (8162.48406s) started
T12 << 1462336135.63037395 Calculate density matrix (8174.61946s) stopped
T12 >> 1462336135.63042092 Construct density (516.82258s) started
T12 << 1462336136.40749097 Construct density (517.59965s) stopped
T12 >> 1462336136.42121410 Symmetrize density (0.05838s) started
T12 << 1462336136.42127705 Symmetrize density (0.05844s) stopped
T12 << 1462336136.42335296 Pseudo density (8706.05508s) stopped
T12 >> 1462336136.42340803 Atomic density matrices (2278.18182s) started
T12 << 1462336140.03326893 Atomic density matrices (2281.79168s) stopped
T12 >> 1462336140.03330302 Multipole moments (8.49186s) started
T12 << 1462336140.04900599 Multipole moments (8.50756s) stopped
T12 >> 1462336140.04903698 Normalize (4.63338s) started
T12 << 1462336140.05553603 Normalize (4.63988s) stopped
T12 >> 1462336140.05559802 Mix (288.87721s) started
T12 << 1462336140.47122407 Mix (289.29284s) stopped
T12 << 1462336140.47130299 Density (11290.34164s) stopped
T12 >> 1462336140.47133803 Hamiltonian (34054.73490s) started
T12 >> 1462336140.47135401 vbar (18.28805s) started
T12 << 1462336140.50106502 vbar (18.31776s) stopped
T12 >> 1462336140.50111699 XC 3D grid (19350.38632s) started
T12 >> 1462336141.01464701 van der Waals (18688.62760s) started
T12 >> 1462336141.12399292 semilocal (3948.67636s) started
T12 << 1462336146.87451196 semilocal (3954.42688s) stopped
T12 >> 1462336146.95023394 redistribute (2010.13248s) started
T12 << 1462336147.98687601 redistribute (2011.16912s) stopped
T12 >> 1462336147.98695302 libvdwxc nonlocal (12599.41166s) started
T12 << 1462336166.36320996 libvdwxc nonlocal (12617.78791s) stopped
T12 >> 1462336166.36328006 redistribute (2011.16918s) started
T12 << 1462336168.34623694 redistribute (2013.15213s) stopped
T12 << 1462336168.34738111 van der Waals (18715.96034s) stopped
T12 << 1462336168.80795503 XC 3D grid (19378.69316s) stopped
T12 >> 1462336168.80799508 Poisson (4032.74930s) started
T12 << 1462336174.56320310 Poisson (4038.50451s) stopped
T12 >> 1462336174.56326389 Hartree integrate/restrict (254.90466s) started
T12 << 1462336174.61233711 Hartree integrate/restrict (254.95373s) stopped
T12 >> 1462336174.61238599 Hartree integrate/restrict (254.95376s) started
T12 << 1462336174.96989012 Hartree integrate/restrict (255.31127s) stopped
T12 >> 1462336174.96997309 Atomic (1636.03899s) started
T12 >> 1462336174.97172093 XC Correction (0.02271s) started
T12 << 1462336174.97173500 XC Correction (0.02272s) stopped
T12 << 1462336177.39712906 Atomic (1638.46615s) stopped
T12 >> 1462336177.39730096 Communicate (8762.09942s) started
T12 << 1462336194.88084507 Communicate (8779.58296s) stopped
T12 << 1462336194.88088393 Hamiltonian (34109.14444s) stopped
T12 >> 1462336194.88090897 LCAO eigensolver (47972.30442s) started
T12 >> 1462336194.88092303 Potential matrix (715.84413s) started
T12 << 1462336195.85863304 Potential matrix (716.82184s) stopped
T12 >> 1462336195.85870504 DistributedAtomicCorrection (302.14740s) started
T12 << 1462336196.30978107 DistributedAtomicCorrection (302.59847s) stopped
T12 >> 1462336196.30984211 Distribute overlap matrix (5558.99040s) started
T12 >> 1462336196.30986404 blocked summation (3103.54211s) started
T12 << 1462336200.93090796 blocked summation (3108.16315s) stopped
T12 >> 1462336200.94117308 Scalapack redistribute (2448.23524s) started
T12 << 1462336204.57769203 Scalapack redistribute (2451.87176s) stopped
T12 << 1462336204.57780290 Distribute overlap matrix (5567.25836s) stopped
T12 >> 1462336204.58168197 Blacs Orbital Layouts (40089.19891s) started
T12 >> 1462336204.59019709 General diagonalize (39929.26114s) started
T12 << 1462336262.10351992 General diagonalize (39986.77446s) stopped
T12 >> 1462336262.10357308 Redistribute coefs (6.10838s) started
T12 << 1462336262.11276102 Redistribute coefs (6.11757s) stopped
T12 >> 1462336262.11281896 Send coefs to domains (147.10377s) started
T12 << 1462336262.23261189 Send coefs to domains (147.22356s) stopped
T12 << 1462336262.23302889 Blacs Orbital Layouts (40146.85025s) stopped
T12 >> 1462336262.23306394 Calculate projections (1302.50123s) started
T12 << 1462336264.01600099 Calculate projections (1304.28417s) stopped
T12 << 1462336264.01646304 LCAO eigensolver (48041.43997s) stopped
T12 >> 1462336267.07196903 Density (11290.34166s) started
T12 >> 1462336267.07198596 Pseudo density (8706.05512s) started
T12 >> 1462336267.07582998 Calculate density matrix (8174.61949s) started
T12 << 1462336278.93641591 Calculate density matrix (8186.48008s) stopped
T12 >> 1462336278.93647099 Construct density (517.59970s) started
T12 << 1462336279.71786094 Construct density (518.38109s) stopped
T12 >> 1462336279.73426700 Symmetrize density (0.05846s) started
T12 << 1462336279.73434591 Symmetrize density (0.05854s) stopped
T12 << 1462336279.73681593 Pseudo density (8718.71995s) stopped
T12 >> 1462336279.73688507 Atomic density matrices (2281.79170s) started
T12 << 1462336283.33770895 Atomic density matrices (2285.39253s) stopped
T12 >> 1462336283.33774710 Multipole moments (8.50758s) started
T12 << 1462336283.35337090 Multipole moments (8.52320s) stopped
T12 >> 1462336283.35340595 Normalize (4.63992s) started
T12 << 1462336283.36378098 Normalize (4.65029s) stopped
T12 >> 1462336283.36384201 Mix (289.29292s) started
T12 << 1462336283.81510901 Mix (289.74418s) stopped
T12 << 1462336283.81517911 Density (11307.08487s) stopped
T12 >> 1462336283.81521201 Hamiltonian (34109.14445s) started
T12 >> 1462336283.81522799 vbar (18.31779s) started
T12 << 1462336283.84772992 vbar (18.35029s) stopped
T12 >> 1462336283.84782195 XC 3D grid (19378.69319s) started
T12 >> 1462336284.34259391 van der Waals (18715.96036s) started
T12 >> 1462336284.45342898 semilocal (3954.42696s) started
T12 << 1462336290.25934005 semilocal (3960.23288s) stopped
T12 >> 1462336290.33295488 redistribute (2013.15219s) started
T12 << 1462336291.34581494 redistribute (2014.16505s) stopped
T12 >> 1462336291.34586596 libvdwxc nonlocal (12617.78797s) started
T12 << 1462336309.45010304 libvdwxc nonlocal (12635.89220s) stopped
T12 >> 1462336309.45018506 redistribute (2014.16509s) started
T12 << 1462336311.48465109 redistribute (2016.19955s) stopped
T12 << 1462336311.48567700 van der Waals (18743.10344s) stopped
T12 << 1462336311.96093988 XC 3D grid (19406.80630s) stopped
T12 >> 1462336311.96101403 Poisson (4038.50455s) started
T12 << 1462336316.25905299 Poisson (4042.80259s) stopped
T12 >> 1462336316.25918794 Hartree integrate/restrict (255.31131s) started
T12 << 1462336316.29647589 Hartree integrate/restrict (255.34860s) stopped
T12 >> 1462336316.29657412 Hartree integrate/restrict (255.34866s) started
T12 << 1462336316.62408304 Hartree integrate/restrict (255.67616s) stopped
T12 >> 1462336316.62419701 Atomic (1638.46617s) started
T12 >> 1462336316.62635803 XC Correction (0.02274s) started
T12 << 1462336316.62638593 XC Correction (0.02276s) stopped
T12 << 1462336319.04489207 Atomic (1640.88686s) stopped
T12 >> 1462336319.04508400 Communicate (8779.58299s) started
T12 << 1462336336.58237195 Communicate (8797.12028s) stopped
T12 << 1462336336.58240199 Hamiltonian (34161.91164s) stopped
T12 >> 1462336336.58242512 LCAO eigensolver (48041.43999s) started
T12 >> 1462336336.58243704 Potential matrix (716.82189s) started
T12 << 1462336337.55344009 Potential matrix (717.79289s) stopped
T12 >> 1462336337.55352092 DistributedAtomicCorrection (302.59851s) started
T12 << 1462336338.01227593 DistributedAtomicCorrection (303.05727s) stopped
T12 >> 1462336338.01234102 Distribute overlap matrix (5567.25837s) started
T12 >> 1462336338.01236606 blocked summation (3108.16320s) started
T12 << 1462336342.69204092 blocked summation (3112.84288s) stopped
T12 >> 1462336342.70173812 Scalapack redistribute (2451.87182s) started
T12 << 1462336346.28281903 Scalapack redistribute (2455.45290s) stopped
T12 << 1462336346.28289008 Distribute overlap matrix (5575.52892s) stopped
T12 >> 1462336346.28786397 Blacs Orbital Layouts (40146.85028s) started
T12 >> 1462336346.29698706 General diagonalize (39986.77450s) started
T12 << 1462336400.32099795 General diagonalize (40040.79852s) stopped
T12 >> 1462336400.32108402 Redistribute coefs (6.11762s) started
T12 << 1462336400.32936502 Redistribute coefs (6.12590s) stopped
T12 >> 1462336400.32945204 Send coefs to domains (147.22360s) started
T12 << 1462336400.45529103 Send coefs to domains (147.34944s) stopped
T12 << 1462336400.45587707 Blacs Orbital Layouts (40201.01829s) stopped
T12 >> 1462336400.45595503 Calculate projections (1304.28423s) started
T12 << 1462336402.23666906 Calculate projections (1306.06494s) stopped
T12 << 1462336402.23706603 LCAO eigensolver (48107.09463s) stopped
T12 >> 1462336405.29060292 Density (11307.08488s) started
T12 >> 1462336405.29061890 Pseudo density (8718.72001s) started
T12 >> 1462336405.29443002 Calculate density matrix (8186.48012s) started
T12 << 1462336418.20865202 Calculate density matrix (8199.39434s) stopped
T12 >> 1462336418.20870709 Construct density (518.38114s) started
T12 << 1462336418.99114108 Construct density (519.16358s) stopped
T12 >> 1462336419.00744390 Symmetrize density (0.05856s) started
T12 << 1462336419.00752091 Symmetrize density (0.05864s) stopped
T12 << 1462336419.00998712 Pseudo density (8732.43938s) stopped
T12 >> 1462336419.01005602 Atomic density matrices (2285.39256s) started
T12 << 1462336422.65804791 Atomic density matrices (2289.04055s) stopped
T12 >> 1462336422.65808511 Multipole moments (8.52322s) started
T12 << 1462336422.67371202 Multipole moments (8.53885s) stopped
T12 >> 1462336422.67374611 Normalize (4.65034s) started
T12 << 1462336422.68285203 Normalize (4.65944s) stopped
T12 >> 1462336422.68292499 Mix (289.74425s) started
T12 << 1462336423.14534497 Mix (290.20667s) stopped
T12 << 1462336423.14540505 Density (11324.93968s) stopped
T12 >> 1462336423.14543390 Hamiltonian (34161.91166s) started
T12 >> 1462336423.14544892 vbar (18.35033s) started
T12 << 1462336423.16904497 vbar (18.37393s) stopped
T12 >> 1462336423.16919589 XC 3D grid (19406.80637s) started
T12 >> 1462336423.66858506 van der Waals (18743.10347s) started
T12 >> 1462336423.78161597 semilocal (3960.23293s) started
T12 << 1462336429.58520103 semilocal (3966.03652s) stopped
T12 >> 1462336429.66792011 redistribute (2016.19962s) started
T12 << 1462336430.66225290 redistribute (2017.19395s) stopped
T12 >> 1462336430.66230202 libvdwxc nonlocal (12635.89226s) started
T12 << 1462336449.29473805 libvdwxc nonlocal (12654.52470s) stopped
T12 >> 1462336449.29484510 redistribute (2017.19399s) started
T12 << 1462336451.39211202 redistribute (2019.29126s) stopped
T12 << 1462336451.39325905 van der Waals (18770.82815s) stopped
T12 << 1462336451.85959005 XC 3D grid (19435.49676s) stopped
T12 >> 1462336451.85963893 Poisson (4042.80270s) started
T12 << 1462336456.29280591 Poisson (4047.23587s) stopped
T12 >> 1462336456.29298091 Hartree integrate/restrict (255.67622s) started
T12 << 1462336456.33218908 Hartree integrate/restrict (255.71543s) stopped
T12 >> 1462336456.33234811 Hartree integrate/restrict (255.71554s) started
T12 << 1462336456.66343188 Hartree integrate/restrict (256.04662s) stopped
T12 >> 1462336456.66354799 Atomic (1640.88689s) started
T12 >> 1462336456.66550899 XC Correction (0.02278s) started
T12 << 1462336456.66552591 XC Correction (0.02279s) stopped
T12 << 1462336459.08737302 Atomic (1643.31071s) stopped
T12 >> 1462336459.08755708 Communicate (8797.12030s) started
T12 << 1462336476.59586096 Communicate (8814.62860s) stopped
T12 << 1462336476.59589696 Hamiltonian (34215.36212s) stopped
T12 >> 1462336476.59592295 LCAO eigensolver (48107.09465s) started
T12 >> 1462336476.59593701 Potential matrix (717.79294s) started
T12 << 1462336477.56550097 Potential matrix (718.76250s) stopped
T12 >> 1462336477.56557989 DistributedAtomicCorrection (303.05730s) started
T12 << 1462336478.02430296 DistributedAtomicCorrection (303.51603s) stopped
T12 >> 1462336478.02436900 Distribute overlap matrix (5575.52893s) started
T12 >> 1462336478.02439308 blocked summation (3112.84291s) started
T12 << 1462336482.78492403 blocked summation (3117.60344s) stopped
T12 >> 1462336482.79493499 Scalapack redistribute (2455.45295s) started
T12 << 1462336486.36179209 Scalapack redistribute (2459.01981s) stopped
T12 << 1462336486.36191392 Distribute overlap matrix (5583.86648s) stopped
T12 >> 1462336486.36640191 Blacs Orbital Layouts (40201.01831s) started
T12 >> 1462336486.37499309 General diagonalize (40040.79859s) started
T12 << 1462336544.35570598 General diagonalize (40098.77930s) stopped
T12 >> 1462336544.35579109 Redistribute coefs (6.12597s) started
T12 << 1462336544.36426997 Redistribute coefs (6.13445s) stopped
T12 >> 1462336544.36435509 Send coefs to domains (147.34948s) started
T12 << 1462336544.46403193 Send coefs to domains (147.44916s) stopped
T12 << 1462336544.46438789 Blacs Orbital Layouts (40259.11630s) stopped
T12 >> 1462336544.46442509 Calculate projections (1306.06500s) started
T12 << 1462336546.24552894 Calculate projections (1307.84610s) stopped
T12 << 1462336546.24592996 LCAO eigensolver (48176.74466s) stopped
T12 >> 1462336549.30529404 Density (11324.93970s) started
T12 >> 1462336549.30531001 Pseudo density (8732.43943s) started
T12 >> 1462336549.30880094 Calculate density matrix (8199.39437s) started
T12 << 1462336561.25482702 Calculate density matrix (8211.34040s) stopped
T12 >> 1462336561.25488305 Construct density (519.16364s) started
T12 << 1462336562.03775096 Construct density (519.94651s) stopped
T12 >> 1462336562.05411601 Symmetrize density (0.05866s) started
T12 << 1462336562.05419302 Symmetrize density (0.05874s) stopped
T12 << 1462336562.05664206 Pseudo density (8745.19076s) stopped
T12 >> 1462336562.05671000 Atomic density matrices (2289.04058s) started
T12 << 1462336565.69183302 Atomic density matrices (2292.67570s) stopped
T12 >> 1462336565.69187093 Multipole moments (8.53886s) started
T12 << 1462336565.70751500 Multipole moments (8.55451s) stopped
T12 >> 1462336565.70755005 Normalize (4.65950s) started
T12 << 1462336565.71660495 Normalize (4.66855s) stopped
T12 >> 1462336565.71666002 Mix (290.20673s) started
T12 << 1462336566.16453505 Mix (290.65461s) stopped
T12 << 1462336566.16458392 Density (11341.79899s) stopped
T12 >> 1462336566.16460991 Hamiltonian (34215.36213s) started
T12 >> 1462336566.16462493 vbar (18.37401s) started
T12 << 1462336566.18973994 vbar (18.39913s) stopped
T12 >> 1462336566.18983889 XC 3D grid (19435.49680s) started
T12 >> 1462336566.69743991 van der Waals (18770.82818s) started
T12 >> 1462336566.80942297 semilocal (3966.03659s) started
T12 << 1462336572.59054995 semilocal (3971.81772s) stopped
T12 >> 1462336572.66298008 redistribute (2019.29132s) started
T12 << 1462336573.64627099 redistribute (2020.27461s) stopped
T12 >> 1462336573.64633298 libvdwxc nonlocal (12654.52476s) started
T12 << 1462336591.63976407 libvdwxc nonlocal (12672.51820s) stopped
T12 >> 1462336591.63986301 redistribute (2020.27465s) started
T12 << 1462336593.62426496 redistribute (2022.25905s) stopped
T12 << 1462336593.62537098 van der Waals (18797.75611s) stopped
T12 << 1462336594.08712101 XC 3D grid (19463.39408s) stopped
T12 >> 1462336594.08719492 Poisson (4047.23601s) started
T12 << 1462336597.00862598 Poisson (4050.15744s) stopped
T12 >> 1462336597.00873399 Hartree integrate/restrict (256.04668s) started
T12 << 1462336597.04880190 Hartree integrate/restrict (256.08675s) stopped
T12 >> 1462336597.04899406 Hartree integrate/restrict (256.08687s) started
T12 << 1462336597.37489796 Hartree integrate/restrict (256.41278s) stopped
T12 >> 1462336597.37501192 Atomic (1643.31074s) started
T12 >> 1462336597.37700605 XC Correction (0.02281s) started
T12 << 1462336597.37703395 XC Correction (0.02283s) stopped
T12 << 1462336599.79862809 Atomic (1645.73435s) stopped
T12 >> 1462336599.79880905 Communicate (8814.62862s) started
T12 << 1462336617.34489608 Communicate (8832.17471s) stopped
T12 << 1462336617.34493589 Hamiltonian (34266.54246s) stopped
T12 >> 1462336617.34496188 LCAO eigensolver (48176.74468s) started
T12 >> 1462336617.34497499 Potential matrix (718.76254s) started
T12 << 1462336618.31774592 Potential matrix (719.73531s) stopped
T12 >> 1462336618.31783009 DistributedAtomicCorrection (303.51607s) started
T12 << 1462336618.77584004 DistributedAtomicCorrection (303.97408s) stopped
T12 >> 1462336618.77590489 Distribute overlap matrix (5583.86649s) started
T12 >> 1462336618.77592993 blocked summation (3117.60348s) started
T12 << 1462336623.48109889 blocked summation (3122.30865s) stopped
T12 >> 1462336623.49122000 Scalapack redistribute (2459.01988s) started
T12 << 1462336627.06085300 Scalapack redistribute (2462.58951s) stopped
T12 << 1462336627.06096506 Distribute overlap matrix (5592.15155s) stopped
T12 >> 1462336627.06543493 Blacs Orbital Layouts (40259.11632s) started
T12 >> 1462336627.07417488 General diagonalize (40098.77937s) started
T12 << 1462336682.59980893 General diagonalize (40154.30500s) stopped
T12 >> 1462336682.59986806 Redistribute coefs (6.13451s) started
T12 << 1462336682.60800791 Redistribute coefs (6.14265s) stopped
T12 >> 1462336682.60809112 Send coefs to domains (147.44920s) started
T12 << 1462336682.95654297 Send coefs to domains (147.79765s) stopped
T12 << 1462336682.95703697 Blacs Orbital Layouts (40315.00792s) stopped
T12 >> 1462336682.95711398 Calculate projections (1307.84616s) started
T12 << 1462336684.73771095 Calculate projections (1309.62675s) stopped
T12 << 1462336684.73810101 LCAO eigensolver (48244.13781s) stopped
T12 >> 1462336687.81824994 Density (11341.79900s) started
T12 >> 1462336687.81826496 Pseudo density (8745.19082s) started
T12 >> 1462336687.82113910 Calculate density matrix (8211.34044s) started
T12 << 1462336699.71386290 Calculate density matrix (8223.23316s) stopped
T12 >> 1462336699.71391892 Construct density (519.94656s) started
T12 << 1462336700.49500799 Construct density (520.72765s) stopped
T12 >> 1462336700.51130390 Symmetrize density (0.05876s) started
T12 << 1462336700.51137996 Symmetrize density (0.05883s) stopped
T12 << 1462336700.51385093 Pseudo density (8757.88640s) stopped
T12 >> 1462336700.51392102 Atomic density matrices (2292.67573s) started
T12 << 1462336704.10122490 Atomic density matrices (2296.26303s) stopped
T12 >> 1462336704.10126305 Multipole moments (8.55452s) started
T12 << 1462336704.11630106 Multipole moments (8.56956s) stopped
T12 >> 1462336704.11633492 Normalize (4.66859s) started
T12 << 1462336704.12288904 Normalize (4.67515s) stopped
T12 >> 1462336704.12293410 Mix (290.65465s) started
T12 << 1462336704.52620912 Mix (291.05793s) stopped
T12 << 1462336704.52629209 Density (11358.50705s) stopped
T12 >> 1462336704.52633095 Hamiltonian (34266.54247s) started
T12 >> 1462336704.52634907 vbar (18.39918s) started
T12 << 1462336704.55641508 vbar (18.42925s) stopped
T12 >> 1462336704.55651903 XC 3D grid (19463.39414s) started
T12 >> 1462336705.08456111 van der Waals (18797.75613s) started
T12 >> 1462336705.19624805 semilocal (3971.81776s) started
T12 << 1462336711.02236390 semilocal (3977.64388s) stopped
T12 >> 1462336711.09888506 redistribute (2022.25911s) started
T12 << 1462336712.05638194 redistribute (2023.21661s) stopped
T12 >> 1462336712.05642390 libvdwxc nonlocal (12672.51828s) started
T12 << 1462336730.31928611 libvdwxc nonlocal (12690.78114s) stopped
T12 >> 1462336730.31935692 redistribute (2023.21664s) started
T12 << 1462336732.15138102 redistribute (2025.04867s) stopped
T12 << 1462336732.15240407 van der Waals (18824.82398s) stopped
T12 << 1462336732.62460899 XC 3D grid (19491.46223s) stopped
T12 >> 1462336732.62466097 Poisson (4050.15751s) started
T12 << 1462336735.53008604 Poisson (4053.06293s) stopped
T12 >> 1462336735.53018689 Hartree integrate/restrict (256.41284s) started
T12 << 1462336735.57160497 Hartree integrate/restrict (256.45425s) stopped
T12 >> 1462336735.57169104 Hartree integrate/restrict (256.45431s) started
T12 << 1462336735.88949203 Hartree integrate/restrict (256.77211s) stopped
T12 >> 1462336735.88958597 Atomic (1645.73438s) started
T12 >> 1462336735.89135504 XC Correction (0.02285s) started
T12 << 1462336735.89137006 XC Correction (0.02286s) stopped
T12 << 1462336738.31294394 Atomic (1648.15774s) stopped
T12 >> 1462336738.31310010 Communicate (8832.17474s) started
T12 << 1462336755.80071402 Communicate (8849.66235s) stopped
T12 << 1462336755.80075502 Hamiltonian (34317.81690s) stopped
T12 >> 1462336755.80078101 LCAO eigensolver (48244.13783s) started
T12 >> 1462336755.80079508 Potential matrix (719.73536s) started
T12 << 1462336756.77971911 Potential matrix (720.71428s) stopped
T12 >> 1462336756.77979112 DistributedAtomicCorrection (303.97412s) started
T12 << 1462336757.23790789 DistributedAtomicCorrection (304.43223s) stopped
T12 >> 1462336757.23797297 Distribute overlap matrix (5592.15157s) started
T12 >> 1462336757.23799491 blocked summation (3122.30869s) started
T12 << 1462336761.96941900 blocked summation (3127.04011s) stopped
T12 >> 1462336761.97904491 Scalapack redistribute (2462.58956s) started
T12 << 1462336765.59078002 Scalapack redistribute (2466.20130s) stopped
T12 << 1462336765.59088802 Distribute overlap matrix (5600.50448s) stopped
T12 >> 1462336765.59515095 Blacs Orbital Layouts (40315.00794s) started
T12 >> 1462336765.60417604 General diagonalize (40154.30505s) started
T12 << 1462336822.52420497 General diagonalize (40211.22508s) stopped
T12 >> 1462336822.52425194 Redistribute coefs (6.14272s) started
T12 << 1462336822.53175402 Redistribute coefs (6.15022s) stopped
T12 >> 1462336822.53184390 Send coefs to domains (147.79769s) started
T12 << 1462336822.65218997 Send coefs to domains (147.91803s) stopped
T12 << 1462336822.65254307 Blacs Orbital Layouts (40372.06533s) stopped
T12 >> 1462336822.65257406 Calculate projections (1309.62681s) started
T12 << 1462336824.42099309 Calculate projections (1311.39523s) stopped
T12 << 1462336824.42134190 LCAO eigensolver (48312.75840s) stopped
T12 << 1462336827.51456189 SCF-cycle (96345.93875s) stopped
T12 >> 1462336829.71849895 Force calculation (4494.66034s) started
T12 >> 1462336829.71858692 LCAO forces (4445.89884s) started
T12 >> 1462336829.71895695 Initial (0.00129s) started
T12 << 1462336829.71896911 Initial (0.00130s) stopped
T12 >> 1462336829.72582197 Get density matrix (2316.92985s) started
T12 << 1462336838.87837195 Get density matrix (2326.08240s) stopped
T12 >> 1462336838.87841392 Potential (350.41719s) started
T12 << 1462336845.11187506 Potential (356.65065s) stopped
T12 >> 1462336845.11193395 Get density matrix (2326.08243s) started
T12 << 1462336876.55777597 Get density matrix (2357.52827s) stopped
T12 >> 1462336876.55783796 Prepare TCI loop (124.04277s) started
T12 >> 1462336876.55837202 Get neighbors (111.27562s) started
T12 << 1462336878.44462800 Get neighbors (113.16188s) stopped
T12 >> 1462336878.44540191 broadcast dH (12.69975s) started
T12 << 1462336878.91351509 broadcast dH (13.16786s) stopped
T12 << 1462336878.91355705 Prepare TCI loop (126.39849s) stopped
T12 >> 1462336878.91359997 Not so complicated loop (6.80681s) started
T12 << 1462336879.03128004 Not so complicated loop (6.92449s) stopped
T12 >> 1462336879.14882708 Complicated loop (1075.80136s) started
T12 << 1462336898.74794698 Complicated loop (1095.40048s) stopped
T12 >> 1462336898.74894500 Wait for sum (564.56621s) started
T12 << 1462336909.96278095 Wait for sum (575.78005s) stopped
T12 << 1462336909.96281910 LCAO forces (4526.14307s) stopped
T12 << 1462336910.79667401 Force calculation (4575.73852s) stopped
T12 >> 1462336910.82473993 Initialization (7504.71211s) started
T12 << 1462336910.82494593 Initialization (7504.71231s) stopped
T12 >> 1462336910.82521701 Initialization (7504.71233s) started
T12 << 1462336910.82535696 Initialization (7504.71247s) stopped
T12 >> 1462336910.82550097 Initialization (7504.71249s) started
T12 << 1462336910.82563806 Initialization (7504.71262s) stopped
T12 >> 1462336931.06284404 Initialization (7504.71264s) started
T12 >> 1462336931.24837708 Basic WFS set positions (5.13173s) started
T12 >> 1462336931.24840212 Redistribute (0.01531s) started
T12 << 1462336931.24853492 Redistribute (0.01544s) stopped
T12 << 1462336931.33854795 Basic WFS set positions (5.22190s) stopped
T12 >> 1462336931.33857298 Basis functions set positions (107.66115s) started
T12 << 1462336933.34617591 Basis functions set positions (109.66875s) stopped
T12 >> 1462336933.34680891 TCI: Calculate S, T, P (892.57330s) started
T12 << 1462336949.24398994 TCI: Calculate S, T, P (908.47049s) stopped
T12 >> 1462336949.24404407 blocked summation (1445.90787s) started
T12 << 1462336981.57404208 blocked summation (1478.23787s) stopped
T12 >> 1462336981.58358502 Scalapack redistribute (530.16246s) started
T12 << 1462336992.00545406 Scalapack redistribute (540.58433s) stopped
T12 >> 1462336992.00653100 blocked summation (1478.23790s) started
T12 << 1462336993.07034206 blocked summation (1479.30171s) stopped
T12 >> 1462336993.07977796 Scalapack redistribute (540.58436s) started
T12 << 1462336993.30421996 Scalapack redistribute (540.80881s) stopped
T12 >> 1462336993.30622792 Redistribute (0.11678s) started
T12 << 1462336993.30673695 Redistribute (0.11729s) stopped
T12 >> 1462336995.02406406 Redistribute (0.11731s) started
T12 << 1462336995.02452111 Redistribute (0.11777s) stopped
T12 >> 1462336995.03887010 LCAO WFS Initialize (4409.31375s) started
T12 >> 1462336995.03895307 Density initialize from wavefunctions (832.45010s) started
T12 >> 1462336995.04509091 Calculate density matrix (574.93329s) started
T12 << 1462337004.85453200 Calculate density matrix (584.74273s) stopped
T12 >> 1462337004.85457993 Construct density (43.90430s) started
T12 << 1462337005.63487101 Construct density (44.68459s) stopped
T12 >> 1462337005.64941096 Symmetrize density (0.00480s) started
T12 << 1462337005.64947200 Symmetrize density (0.00486s) stopped
T12 << 1462337009.42306399 Density initialize from wavefunctions (846.83421s) stopped
T12 >> 1462337009.42348409 Hamiltonian (3575.93150s) started
T12 >> 1462337009.42350602 vbar (1.63829s) started
T12 << 1462337009.45002890 vbar (1.66482s) stopped
T12 >> 1462337009.45012403 XC 3D grid (1679.04024s) started
T12 >> 1462337010.01626706 van der Waals (1621.92383s) started
T12 >> 1462337010.12330008 semilocal (341.75169s) started
T12 << 1462337015.85399199 semilocal (347.48238s) stopped
T12 >> 1462337015.93887591 redistribute (184.65074s) started
T12 << 1462337016.98891592 redistribute (185.70078s) stopped
T12 >> 1462337016.98896790 libvdwxc nonlocal (1084.20219s) started
T12 << 1462337035.68197894 libvdwxc nonlocal (1102.89520s) stopped
T12 >> 1462337035.68204308 redistribute (185.70081s) started
T12 << 1462337037.50765610 redistribute (187.52642s) stopped
T12 << 1462337037.50931406 van der Waals (1649.41688s) stopped
T12 << 1462337037.94521594 XC 3D grid (1707.53533s) stopped
T12 >> 1462337037.94525599 Poisson (846.00606s) started
T12 << 1462337049.55873394 Poisson (857.61953s) stopped
T12 >> 1462337049.55879498 Hartree integrate/restrict (22.05616s) started
T12 << 1462337049.60783410 Hartree integrate/restrict (22.10520s) stopped
T12 >> 1462337049.60792994 Hartree integrate/restrict (22.10527s) started
T12 << 1462337049.91931891 Hartree integrate/restrict (22.41665s) stopped
T12 >> 1462337049.91941690 Atomic (139.97599s) started
T12 >> 1462337049.92157006 XC Correction (0.00213s) started
T12 << 1462337049.92159605 XC Correction (0.00216s) stopped
T12 << 1462337052.30515504 Atomic (142.36173s) stopped
T12 >> 1462337052.30532694 Communicate (887.16549s) started
T12 << 1462337070.67910910 Communicate (905.53928s) stopped
T12 << 1462337070.67914796 Hamiltonian (3637.18717s) stopped
T12 << 1462337070.67916298 LCAO WFS Initialize (4484.95404s) stopped
T12 << 1462337070.69142795 Initialization (7644.34123s) stopped
T12 >> 1462337070.71757889 SCF-cycle (96345.93877s) started
T12 >> 1462337070.71761298 LCAO eigensolver (48312.75841s) started
T12 >> 1462337070.71762609 Potential matrix (720.71433s) started
T12 << 1462337071.70883012 Potential matrix (721.70553s) stopped
T12 >> 1462337071.70890093 DistributedAtomicCorrection (304.43227s) started
T12 << 1462337072.15892291 DistributedAtomicCorrection (304.88229s) stopped
T12 >> 1462337072.15897107 Distribute overlap matrix (5600.50450s) started
T12 >> 1462337072.15900207 blocked summation (3127.04016s) started
T12 << 1462337076.67594910 blocked summation (3131.55711s) stopped
T12 >> 1462337076.68521500 Scalapack redistribute (2466.20136s) started
T12 << 1462337080.31905293 Scalapack redistribute (2469.83520s) stopped
T12 << 1462337080.31915212 Distribute overlap matrix (5608.66468s) stopped
T12 >> 1462337080.32299995 Blacs Orbital Layouts (40372.06535s) started
T12 >> 1462337080.33175492 General diagonalize (40211.22512s) started
T12 << 1462337133.50082111 General diagonalize (40264.39418s) stopped
T12 >> 1462337133.50089908 Redistribute coefs (6.15030s) started
T12 << 1462337133.51077008 Redistribute coefs (6.16017s) stopped
T12 >> 1462337133.51081610 Send coefs to domains (147.91807s) started
T12 << 1462337133.75211096 Send coefs to domains (148.15936s) stopped
T12 << 1462337133.75249910 Blacs Orbital Layouts (40425.49485s) stopped
T12 >> 1462337133.75252604 Calculate projections (1311.39528s) started
T12 << 1462337135.51646399 Calculate projections (1313.15922s) stopped
T12 << 1462337135.51665998 LCAO eigensolver (48377.55746s) stopped
T12 >> 1462337138.59171605 Density (11358.50706s) started
T12 >> 1462337138.59173107 Pseudo density (8757.88646s) started
T12 >> 1462337138.59361601 Calculate density matrix (8223.23320s) started
T12 << 1462337150.50665808 Calculate density matrix (8235.14624s) stopped
T12 >> 1462337150.50670600 Construct density (520.72771s) started
T12 << 1462337151.28725791 Construct density (521.50826s) stopped
T12 >> 1462337151.30122709 Symmetrize density (0.05885s) started
T12 << 1462337151.30129194 Symmetrize density (0.05891s) stopped
T12 << 1462337151.30329204 Pseudo density (8770.59802s) stopped
T12 >> 1462337151.30335093 Atomic density matrices (2296.26306s) started
T12 << 1462337154.77664089 Atomic density matrices (2299.73635s) stopped
T12 >> 1462337154.77667308 Multipole moments (8.56958s) started
T12 << 1462337154.79248595 Multipole moments (8.58539s) stopped
T12 >> 1462337154.79250908 Normalize (4.67518s) started
T12 << 1462337154.79934692 Normalize (4.68202s) stopped
T12 >> 1462337154.79945493 Mix (291.05801s) started
T12 << 1462337155.13903403 Mix (291.39759s) stopped
T12 << 1462337155.13913894 Density (11375.05449s) stopped
T12 >> 1462337155.13917994 Hamiltonian (34317.81691s) started
T12 >> 1462337155.13919806 vbar (18.42931s) started
T12 << 1462337155.17137504 vbar (18.46148s) stopped
T12 >> 1462337155.17151403 XC 3D grid (19491.46227s) started
T12 >> 1462337155.68719792 van der Waals (18824.82400s) started
T12 >> 1462337155.79380703 semilocal (3977.64393s) started
T12 << 1462337161.56166792 semilocal (3983.41179s) stopped
T12 >> 1462337161.64889097 redistribute (2025.04873s) started
T12 << 1462337162.69061708 redistribute (2026.09045s) stopped
T12 >> 1462337162.69066000 libvdwxc nonlocal (12690.78119s) started
T12 << 1462337181.03991103 libvdwxc nonlocal (12709.13044s) stopped
T12 >> 1462337181.03998089 redistribute (2026.09048s) started
T12 << 1462337182.78249192 redistribute (2027.83299s) stopped
T12 << 1462337182.78382492 van der Waals (18851.92063s) stopped
T12 << 1462337183.22325993 XC 3D grid (19519.51401s) stopped
T12 >> 1462337183.22329998 Poisson (4053.06301s) started
T12 << 1462337187.53839302 Poisson (4057.37810s) stopped
T12 >> 1462337187.53845811 Hartree integrate/restrict (256.77216s) started
T12 << 1462337187.58247304 Hartree integrate/restrict (256.81618s) stopped
T12 >> 1462337187.58255291 Hartree integrate/restrict (256.81623s) started
T12 << 1462337187.90967393 Hartree integrate/restrict (257.14335s) stopped
T12 >> 1462337187.90977192 Atomic (1648.15776s) started
T12 >> 1462337187.91180897 XC Correction (0.02287s) started
T12 << 1462337187.91183901 XC Correction (0.02290s) stopped
T12 << 1462337190.29845405 Atomic (1650.54644s) stopped
T12 >> 1462337190.29863191 Communicate (8849.66238s) started
T12 << 1462337208.70847702 Communicate (8868.07223s) stopped
T12 << 1462337208.70850992 Hamiltonian (34371.38624s) stopped
T12 >> 1462337208.70853305 LCAO eigensolver (48377.55748s) started
T12 >> 1462337208.70854592 Potential matrix (721.70557s) started
T12 << 1462337209.68535399 Potential matrix (722.68238s) stopped
T12 >> 1462337209.68542600 DistributedAtomicCorrection (304.88233s) started
T12 << 1462337210.13851094 DistributedAtomicCorrection (305.33542s) stopped
T12 >> 1462337210.13855910 Distribute overlap matrix (5608.66469s) started
T12 >> 1462337210.13859010 blocked summation (3131.55714s) started
T12 << 1462337214.74026108 blocked summation (3136.15881s) stopped
T12 >> 1462337214.74981308 Scalapack redistribute (2469.83525s) started
T12 << 1462337218.31436300 Scalapack redistribute (2473.39980s) stopped
T12 << 1462337218.31446004 Distribute overlap matrix (5616.84059s) stopped
T12 >> 1462337218.31831908 Blacs Orbital Layouts (40425.49486s) started
T12 >> 1462337218.32670999 General diagonalize (40264.39425s) started
T12 << 1462337274.42899799 General diagonalize (40320.49654s) stopped
T12 >> 1462337274.42904305 Redistribute coefs (6.16020s) started
T12 << 1462337274.43846107 Redistribute coefs (6.16962s) stopped
T12 >> 1462337274.43850303 Send coefs to domains (148.15940s) started
T12 << 1462337274.56292200 Send coefs to domains (148.28381s) stopped
T12 << 1462337274.56335402 Blacs Orbital Layouts (40481.73990s) stopped
T12 >> 1462337274.56338096 Calculate projections (1313.15927s) started
T12 << 1462337276.32816291 Calculate projections (1314.92405s) stopped
T12 << 1462337276.32853508 LCAO eigensolver (48445.17748s) stopped
T12 >> 1462337279.42652011 Density (11375.05450s) started
T12 >> 1462337279.42653489 Pseudo density (8770.59807s) started
T12 >> 1462337279.42856097 Calculate density matrix (8235.14628s) started
T12 << 1462337291.27800488 Calculate density matrix (8246.99572s) stopped
T12 >> 1462337291.27805305 Construct density (521.50832s) started
T12 << 1462337292.05872703 Construct density (522.28899s) stopped
T12 >> 1462337292.07260704 Symmetrize density (0.05893s) started
T12 << 1462337292.07266903 Symmetrize density (0.05899s) stopped
T12 << 1462337292.07464695 Pseudo density (8783.24618s) stopped
T12 >> 1462337292.07470393 Atomic density matrices (2299.73638s) started
T12 << 1462337295.58739710 Atomic density matrices (2303.24907s) stopped
T12 >> 1462337295.58742809 Multipole moments (8.58541s) started
T12 << 1462337295.60257292 Multipole moments (8.60055s) stopped
T12 >> 1462337295.60259604 Normalize (4.68210s) started
T12 << 1462337295.60862899 Normalize (4.68814s) stopped
T12 >> 1462337295.60875607 Mix (291.39769s) started
T12 << 1462337295.93684506 Mix (291.72578s) stopped
T12 << 1462337295.93689704 Density (11391.56488s) stopped
T12 >> 1462337295.93692207 Hamiltonian (34371.38625s) started
T12 >> 1462337295.93693495 vbar (18.46156s) started
T12 << 1462337295.95800090 vbar (18.48263s) stopped
T12 >> 1462337295.95808291 XC 3D grid (19519.51405s) started
T12 >> 1462337296.59316802 van der Waals (18851.92068s) started
T12 >> 1462337296.69918895 semilocal (3983.41190s) started
T12 << 1462337302.50956011 semilocal (3989.22227s) stopped
T12 >> 1462337302.59684801 redistribute (2027.83303s) started
T12 << 1462337303.58607602 redistribute (2028.82226s) stopped
T12 >> 1462337303.58614802 libvdwxc nonlocal (12709.13050s) started
T12 << 1462337322.44873095 libvdwxc nonlocal (12727.99308s) stopped
T12 >> 1462337322.44879603 redistribute (2028.82231s) started
T12 << 1462337324.18715692 redistribute (2030.56067s) stopped
T12 << 1462337324.18857002 van der Waals (18879.51608s) stopped
T12 << 1462337324.62765694 XC 3D grid (19548.18362s) stopped
T12 >> 1462337324.62771201 Poisson (4057.37815s) started
T12 << 1462337333.40478396 Poisson (4066.15522s) stopped
T12 >> 1462337333.40489292 Hartree integrate/restrict (257.14341s) started
T12 << 1462337333.45071197 Hartree integrate/restrict (257.18923s) stopped
T12 >> 1462337333.45080590 Hartree integrate/restrict (257.18929s) started
T12 << 1462337333.78250408 Hartree integrate/restrict (257.52099s) stopped
T12 >> 1462337333.78259993 Atomic (1650.54646s) started
T12 >> 1462337333.78461003 XC Correction (0.02292s) started
T12 << 1462337333.78465199 XC Correction (0.02296s) stopped
T12 << 1462337336.16026998 Atomic (1652.92413s) stopped
T12 >> 1462337336.16044497 Communicate (8868.07225s) started
T12 << 1462337354.58484697 Communicate (8886.49665s) stopped
T12 << 1462337354.58487892 Hamiltonian (34430.03421s) stopped
T12 >> 1462337354.58490300 LCAO eigensolver (48445.17750s) started
T12 >> 1462337354.58491611 Potential matrix (722.68242s) started
T12 << 1462337355.56143403 Potential matrix (723.65894s) stopped
T12 >> 1462337355.56150794 DistributedAtomicCorrection (305.33546s) started
T12 << 1462337356.01164794 DistributedAtomicCorrection (305.78560s) stopped
T12 >> 1462337356.01169491 Distribute overlap matrix (5616.84061s) started
T12 >> 1462337356.01172400 blocked summation (3136.15884s) started
T12 << 1462337360.55099511 blocked summation (3140.69811s) stopped
T12 >> 1462337360.56065202 Scalapack redistribute (2473.39986s) started
T12 << 1462337364.22156096 Scalapack redistribute (2477.06077s) stopped
T12 << 1462337364.22166109 Distribute overlap matrix (5625.05057s) stopped
T12 >> 1462337364.22574401 Blacs Orbital Layouts (40481.73992s) started
T12 >> 1462337364.23457289 General diagonalize (40320.49657s) started
T12 << 1462337418.18743896 General diagonalize (40374.44944s) stopped
T12 >> 1462337418.18748403 Redistribute coefs (6.16965s) started
T12 << 1462337418.19695807 Redistribute coefs (6.17913s) stopped
T12 >> 1462337418.19700193 Send coefs to domains (148.28384s) started
T12 << 1462337418.32175803 Send coefs to domains (148.40860s) stopped
T12 << 1462337418.32214189 Blacs Orbital Layouts (40535.83632s) stopped
T12 >> 1462337418.32217002 Calculate projections (1314.92410s) started
T12 << 1462337420.08672094 Calculate projections (1316.68865s) stopped
T12 << 1462337420.08709311 LCAO eigensolver (48510.67969s) stopped
T12 >> 1462337423.18375993 Density (11391.56489s) started
T12 >> 1462337423.18377495 Pseudo density (8783.24623s) started
T12 >> 1462337423.18571901 Calculate density matrix (8246.99576s) started
T12 << 1462337435.03189993 Calculate density matrix (8258.84194s) stopped
T12 >> 1462337435.03194690 Construct density (522.28904s) started
T12 << 1462337435.81291103 Construct density (523.07000s) stopped
T12 >> 1462337435.82773089 Symmetrize density (0.05901s) started
T12 << 1462337435.82780099 Symmetrize density (0.05908s) stopped
T12 << 1462337435.82984400 Pseudo density (8795.89229s) stopped
T12 >> 1462337435.82990408 Atomic density matrices (2303.24909s) started
T12 << 1462337439.34945393 Atomic density matrices (2306.76864s) stopped
T12 >> 1462337439.34948611 Multipole moments (8.60057s) started
T12 << 1462337439.36466002 Multipole moments (8.61574s) stopped
T12 >> 1462337439.36468911 Normalize (4.68825s) started
T12 << 1462337439.37079000 Normalize (4.69435s) stopped
T12 >> 1462337439.37087202 Mix (291.72583s) started
T12 << 1462337439.74363589 Mix (292.09860s) stopped
T12 << 1462337439.74371004 Density (11408.12484s) stopped
T12 >> 1462337439.74377894 Hamiltonian (34430.03422s) started
T12 >> 1462337439.74379992 vbar (18.48268s) started
T12 << 1462337439.77085710 vbar (18.50973s) stopped
T12 >> 1462337439.77097011 XC 3D grid (19548.18366s) started
T12 >> 1462337440.30144811 van der Waals (18879.51613s) started
T12 >> 1462337440.40688300 semilocal (3989.22240s) started
T12 << 1462337446.21777797 semilocal (3995.03329s) stopped
T12 >> 1462337446.29483390 redistribute (2030.56074s) started
T12 << 1462337447.28545904 redistribute (2031.55137s) stopped
T12 >> 1462337447.28550196 libvdwxc nonlocal (12727.99313s) started
T12 << 1462337465.71754289 libvdwxc nonlocal (12746.42517s) stopped
T12 >> 1462337465.71760702 redistribute (2031.55140s) started
T12 << 1462337467.44587302 redistribute (2033.27967s) stopped
T12 << 1462337467.44695306 van der Waals (18906.66163s) stopped
T12 << 1462337467.89461493 XC 3D grid (19576.30731s) stopped
T12 >> 1462337467.89467192 Poisson (4066.15531s) started
T12 << 1462337473.68907309 Poisson (4071.94971s) stopped
T12 >> 1462337473.68919611 Hartree integrate/restrict (257.52104s) started
T12 << 1462337473.73306799 Hartree integrate/restrict (257.56491s) stopped
T12 >> 1462337473.73315692 Hartree integrate/restrict (257.56497s) started
T12 << 1462337474.04452205 Hartree integrate/restrict (257.87634s) stopped
T12 >> 1462337474.04460692 Atomic (1652.92415s) started
T12 >> 1462337474.04637098 XC Correction (0.02297s) started
T12 << 1462337474.04639101 XC Correction (0.02299s) stopped
T12 << 1462337476.43830109 Atomic (1655.31785s) stopped
T12 >> 1462337476.43848395 Communicate (8886.49667s) started
T12 << 1462337494.81337810 Communicate (8904.87157s) stopped
T12 << 1462337494.81341290 Hamiltonian (34485.10386s) stopped
T12 >> 1462337494.81343794 LCAO eigensolver (48510.67971s) started
T12 >> 1462337494.81345201 Potential matrix (723.65899s) started
T12 << 1462337495.79369712 Potential matrix (724.63923s) stopped
T12 >> 1462337495.79376888 DistributedAtomicCorrection (305.78564s) started
T12 << 1462337496.25076103 DistributedAtomicCorrection (306.24263s) stopped
T12 >> 1462337496.25081205 Distribute overlap matrix (5625.05058s) started
T12 >> 1462337496.25084591 blocked summation (3140.69814s) started
T12 << 1462337500.80253005 blocked summation (3145.24983s) stopped
T12 >> 1462337500.81118798 Scalapack redistribute (2477.06082s) started
T12 << 1462337504.42684388 Scalapack redistribute (2480.67648s) stopped
T12 << 1462337504.42694712 Distribute overlap matrix (5633.22672s) stopped
T12 >> 1462337504.43101907 Blacs Orbital Layouts (40535.83633s) started
T12 >> 1462337504.43962407 General diagonalize (40374.44948s) started
T12 << 1462337558.05795097 General diagonalize (40428.06781s) stopped
T12 >> 1462337558.05800390 Redistribute coefs (6.17916s) started
T12 << 1462337558.06874299 Redistribute coefs (6.18990s) stopped
T12 >> 1462337558.06880307 Send coefs to domains (148.40863s) started
T12 << 1462337558.15585995 Send coefs to domains (148.49569s) stopped
T12 << 1462337558.15629506 Blacs Orbital Layouts (40589.56161s) stopped
T12 >> 1462337558.15632510 Calculate projections (1316.68869s) started
T12 << 1462337559.93836904 Calculate projections (1318.47074s) stopped
T12 << 1462337559.93860602 LCAO eigensolver (48575.80488s) stopped
T12 >> 1462337563.01785398 Density (11408.12490s) started
T12 >> 1462337563.01787090 Pseudo density (8795.89234s) started
T12 >> 1462337563.02031898 Calculate density matrix (8258.84197s) started
T12 << 1462337574.80036712 Calculate density matrix (8270.62202s) stopped
T12 >> 1462337574.80042410 Construct density (523.07006s) started
T12 << 1462337575.58408594 Construct density (523.85372s) stopped
T12 >> 1462337575.60046792 Symmetrize density (0.05910s) started
T12 << 1462337575.60054302 Symmetrize density (0.05917s) stopped
T12 << 1462337575.60304093 Pseudo density (8808.47751s) stopped
T12 >> 1462337575.60311103 Atomic density matrices (2306.76867s) started
T12 << 1462337579.10093808 Atomic density matrices (2310.26650s) stopped
T12 >> 1462337579.10097599 Multipole moments (8.61576s) started
T12 << 1462337579.11670995 Multipole moments (8.63149s) stopped
T12 >> 1462337579.11674190 Normalize (4.69441s) started
T12 << 1462337579.12350297 Normalize (4.70118s) stopped
T12 >> 1462337579.12354708 Mix (292.09867s) started
T12 << 1462337579.54162002 Mix (292.51674s) stopped
T12 << 1462337579.54165792 Density (11424.64870s) stopped
T12 >> 1462337579.54168701 Hamiltonian (34485.10387s) started
T12 >> 1462337579.54170203 vbar (18.50980s) started
T12 << 1462337579.57271791 vbar (18.54082s) stopped
T12 >> 1462337579.57286501 XC 3D grid (19576.30735s) started
T12 >> 1462337580.05462003 van der Waals (18906.66168s) started
T12 >> 1462337580.17013502 semilocal (3995.03336s) started
T12 << 1462337585.92737603 semilocal (4000.79061s) stopped
T12 >> 1462337585.99978304 redistribute (2033.27971s) started
T12 << 1462337587.03934908 redistribute (2034.31927s) stopped
T12 >> 1462337587.03942609 libvdwxc nonlocal (12746.42522s) started
T12 << 1462337605.34763694 libvdwxc nonlocal (12764.73343s) stopped
T12 >> 1462337605.34772301 redistribute (2034.31933s) started
T12 << 1462337607.44649100 redistribute (2036.41810s) stopped
T12 << 1462337607.44752908 van der Waals (18934.05459s) stopped
T12 << 1462337607.89854407 XC 3D grid (19604.63303s) stopped
T12 >> 1462337607.89860296 Poisson (4071.94981s) started
T12 << 1462337613.83156300 Poisson (4077.88277s) stopped
T12 >> 1462337613.83164310 Hartree integrate/restrict (257.87638s) started
T12 << 1462337613.86958194 Hartree integrate/restrict (257.91432s) stopped
T12 >> 1462337613.86973810 Hartree integrate/restrict (257.91442s) started
T12 << 1462337614.19118905 Hartree integrate/restrict (258.23587s) stopped
T12 >> 1462337614.19129491 Atomic (1655.31787s) started
T12 >> 1462337614.19326806 XC Correction (0.02301s) started
T12 << 1462337614.19329405 XC Correction (0.02303s) stopped
T12 << 1462337616.58216310 Atomic (1657.70874s) stopped
T12 >> 1462337616.58236790 Communicate (8904.87159s) started
T12 << 1462337634.28684592 Communicate (8922.57607s) stopped
T12 << 1462337634.28689098 Hamiltonian (34539.84907s) stopped
T12 >> 1462337634.28691792 LCAO eigensolver (48575.80489s) started
T12 >> 1462337634.28693199 Potential matrix (724.63927s) started
T12 << 1462337635.25433993 Potential matrix (725.60668s) stopped
T12 >> 1462337635.25442195 DistributedAtomicCorrection (306.24267s) started
T12 << 1462337635.72115993 DistributedAtomicCorrection (306.70941s) stopped
T12 >> 1462337635.72122788 Distribute overlap matrix (5633.22673s) started
T12 >> 1462337635.72125196 blocked summation (3145.24986s) started
T12 << 1462337640.26261210 blocked summation (3149.79122s) stopped
T12 >> 1462337640.27223992 Scalapack redistribute (2480.67653s) started
T12 << 1462337643.93656111 Scalapack redistribute (2484.34085s) stopped
T12 << 1462337643.93666101 Distribute overlap matrix (5641.44217s) stopped
T12 >> 1462337643.94135308 Blacs Orbital Layouts (40589.56163s) started
T12 >> 1462337643.95017791 General diagonalize (40428.06785s) started
T12 << 1462337697.10838294 General diagonalize (40481.22605s) stopped
T12 >> 1462337697.10843110 Redistribute coefs (6.18994s) started
T12 << 1462337697.11813807 Redistribute coefs (6.19965s) stopped
T12 >> 1462337697.11818004 Send coefs to domains (148.49573s) started
T12 << 1462337697.26915407 Send coefs to domains (148.64670s) stopped
T12 << 1462337697.26962495 Blacs Orbital Layouts (40642.88990s) stopped
T12 >> 1462337697.26968288 Calculate projections (1318.47079s) started
T12 << 1462337699.03858995 Calculate projections (1320.23970s) stopped
T12 << 1462337699.03907895 LCAO eigensolver (48640.55706s) stopped
T12 >> 1462337702.13046789 Density (11424.64871s) started
T12 >> 1462337702.13048410 Pseudo density (8808.47757s) started
T12 >> 1462337702.13268495 Calculate density matrix (8270.62206s) started
T12 << 1462337714.08768797 Calculate density matrix (8282.57706s) stopped
T12 >> 1462337714.08773589 Construct density (523.85378s) started
T12 << 1462337714.86927891 Construct density (524.63532s) stopped
T12 >> 1462337714.88314509 Symmetrize density (0.05919s) started
T12 << 1462337714.88322997 Symmetrize density (0.05927s) stopped
T12 << 1462337714.88529205 Pseudo density (8821.23238s) stopped
T12 >> 1462337714.88534808 Atomic density matrices (2310.26652s) started
T12 << 1462337718.42662692 Atomic density matrices (2313.80780s) stopped
T12 >> 1462337718.42666101 Multipole moments (8.63151s) started
T12 << 1462337718.44235706 Multipole moments (8.64721s) stopped
T12 >> 1462337718.44238496 Normalize (4.70121s) started
T12 << 1462337718.44851303 Normalize (4.70734s) stopped
T12 >> 1462337718.44859791 Mix (292.51678s) started
T12 << 1462337718.89074111 Mix (292.95892s) stopped
T12 << 1462337718.89082193 Density (11441.40907s) stopped
T12 >> 1462337718.89085603 Hamiltonian (34539.84909s) started
T12 >> 1462337718.89087200 vbar (18.54090s) started
T12 << 1462337718.92414403 vbar (18.57418s) stopped
T12 >> 1462337718.92426205 XC 3D grid (19604.63308s) started
T12 >> 1462337719.45187211 van der Waals (18934.05463s) started
T12 >> 1462337719.55677509 semilocal (4000.79073s) started
T12 << 1462337725.38395405 semilocal (4006.61790s) stopped
T12 >> 1462337725.46249509 redistribute (2036.41814s) started
T12 << 1462337726.47075891 redistribute (2037.42641s) stopped
T12 >> 1462337726.47083592 libvdwxc nonlocal (12764.73350s) started
T12 << 1462337744.76727390 libvdwxc nonlocal (12783.02994s) stopped
T12 >> 1462337744.76733804 redistribute (2037.42646s) started
T12 << 1462337746.50932908 redistribute (2039.16845s) stopped
T12 << 1462337746.51074600 van der Waals (18961.11350s) stopped
T12 << 1462337746.94091702 XC 3D grid (19632.64974s) stopped
T12 >> 1462337746.94098306 Poisson (4077.88282s) started
T12 << 1462337752.76078296 Poisson (4083.70262s) stopped
T12 >> 1462337752.76092911 Hartree integrate/restrict (258.23592s) started
T12 << 1462337752.81073093 Hartree integrate/restrict (258.28572s) stopped
T12 >> 1462337752.81078291 Hartree integrate/restrict (258.28575s) started
T12 << 1462337753.15084696 Hartree integrate/restrict (258.62582s) stopped
T12 >> 1462337753.15092897 Atomic (1657.70877s) started
T12 >> 1462337753.15282202 XC Correction (0.02305s) started
T12 << 1462337753.15284109 XC Correction (0.02307s) stopped
T12 << 1462337755.52206898 Atomic (1660.07991s) stopped
T12 >> 1462337755.52224398 Communicate (8922.57610s) started
T12 << 1462337772.43280292 Communicate (8939.48666s) stopped
T12 << 1462337772.43284106 Hamiltonian (34593.39107s) stopped
T12 >> 1462337772.43286705 LCAO eigensolver (48640.55708s) started
T12 >> 1462337772.43287897 Potential matrix (725.60673s) started
T12 << 1462337773.40255594 Potential matrix (726.57641s) stopped
T12 >> 1462337773.40262699 DistributedAtomicCorrection (306.70945s) started
T12 << 1462337773.85996795 DistributedAtomicCorrection (307.16679s) stopped
T12 >> 1462337773.86003089 Distribute overlap matrix (5641.44218s) started
T12 >> 1462337773.86005211 blocked summation (3149.79125s) started
T12 << 1462337778.44989896 blocked summation (3154.38110s) stopped
T12 >> 1462337778.45926809 Scalapack redistribute (2484.34093s) started
T12 << 1462337782.07977700 Scalapack redistribute (2487.96143s) stopped
T12 << 1462337782.07985091 Distribute overlap matrix (5649.66200s) stopped
T12 >> 1462337782.08381295 Blacs Orbital Layouts (40642.88992s) started
T12 >> 1462337782.09212399 General diagonalize (40481.22609s) started
T12 << 1462337835.58344102 General diagonalize (40534.71741s) stopped
T12 >> 1462337835.58351803 Redistribute coefs (6.19968s) started
T12 << 1462337835.59338093 Redistribute coefs (6.20954s) stopped
T12 >> 1462337835.59342194 Send coefs to domains (148.64674s) started
T12 << 1462337835.77768898 Send coefs to domains (148.83101s) stopped
T12 << 1462337835.77814102 Blacs Orbital Layouts (40696.58425s) stopped
T12 >> 1462337835.77817392 Calculate projections (1320.23975s) started
T12 << 1462337837.54560399 Calculate projections (1322.00718s) stopped
T12 << 1462337837.54595900 LCAO eigensolver (48705.67017s) stopped
T12 >> 1462337840.63845801 Density (11441.40908s) started
T12 >> 1462337840.63847399 Pseudo density (8821.23242s) started
T12 >> 1462337840.64056611 Calculate density matrix (8282.57710s) started
T12 << 1462337852.47561312 Calculate density matrix (8294.41214s) stopped
T12 >> 1462337852.47566104 Construct density (524.63537s) started
T12 << 1462337853.25785899 Construct density (525.41757s) stopped
T12 >> 1462337853.27199006 Symmetrize density (0.05929s) started
T12 << 1462337853.27204990 Symmetrize density (0.05935s) stopped
T12 << 1462337853.27414298 Pseudo density (8833.86809s) stopped
T12 >> 1462337853.27420211 Atomic density matrices (2313.80783s) started
T12 << 1462337856.72702909 Atomic density matrices (2317.26066s) stopped
T12 >> 1462337856.72706294 Multipole moments (8.64722s) started
T12 << 1462337856.74268007 Multipole moments (8.66284s) stopped
T12 >> 1462337856.74270892 Normalize (4.70740s) started
T12 << 1462337856.74878407 Normalize (4.71348s) stopped
T12 >> 1462337856.74891210 Mix (292.95900s) started
T12 << 1462337857.18234611 Mix (293.39244s) stopped
T12 << 1462337857.18239808 Density (11457.95302s) stopped
T12 >> 1462337857.18243194 Hamiltonian (34593.39108s) started
T12 >> 1462337857.18245101 vbar (18.57424s) started
T12 << 1462337857.21286392 vbar (18.60466s) stopped
T12 >> 1462337857.21297789 XC 3D grid (19632.64979s) started
T12 >> 1462337857.72725797 van der Waals (18961.11357s) started
T12 >> 1462337857.83413005 semilocal (4006.61802s) started
T12 << 1462337863.52019501 semilocal (4012.30409s) stopped
T12 >> 1462337863.61223197 redistribute (2039.16853s) started
T12 << 1462337864.71023297 redistribute (2040.26653s) stopped
T12 >> 1462337864.71028090 libvdwxc nonlocal (12783.02998s) started
T12 << 1462337883.03326893 libvdwxc nonlocal (12801.35297s) stopped
T12 >> 1462337883.03331089 redistribute (2040.26656s) started
T12 << 1462337884.76966596 redistribute (2042.00292s) stopped
T12 << 1462337884.77110100 van der Waals (18988.15741s) stopped
T12 << 1462337885.22164607 XC 3D grid (19660.65846s) stopped
T12 >> 1462337885.22168899 Poisson (4083.70274s) started
T12 << 1462337889.62331104 Poisson (4088.10436s) stopped
T12 >> 1462337889.62340498 Hartree integrate/restrict (258.62585s) started
T12 << 1462337889.67369103 Hartree integrate/restrict (258.67614s) stopped
T12 >> 1462337889.67373896 Hartree integrate/restrict (258.67617s) started
T12 << 1462337890.00081706 Hartree integrate/restrict (259.00324s) stopped
T12 >> 1462337890.00089502 Atomic (1660.07993s) started
T12 >> 1462337890.00284195 XC Correction (0.02308s) started
T12 << 1462337890.00286007 XC Correction (0.02310s) stopped
T12 << 1462337892.37665296 Atomic (1662.45569s) stopped
T12 >> 1462337892.37682700 Communicate (8939.48668s) started
T12 << 1462337909.28831410 Communicate (8956.39817s) stopped
T12 << 1462337909.28835392 Hamiltonian (34645.49701s) stopped
T12 >> 1462337909.28837991 LCAO eigensolver (48705.67019s) started
T12 >> 1462337909.28839207 Potential matrix (726.57645s) started
T12 << 1462337910.27286291 Potential matrix (727.56092s) stopped
T12 >> 1462337910.27294803 DistributedAtomicCorrection (307.16683s) started
T12 << 1462337910.73311400 DistributedAtomicCorrection (307.62699s) stopped
T12 >> 1462337910.73317695 Distribute overlap matrix (5649.66201s) started
T12 >> 1462337910.73319793 blocked summation (3154.38113s) started
T12 << 1462337915.39929605 blocked summation (3159.04723s) stopped
T12 >> 1462337915.40962601 Scalapack redistribute (2487.96149s) started
T12 << 1462337918.90435910 Scalapack redistribute (2491.45622s) stopped
T12 << 1462337918.90442610 Distribute overlap matrix (5657.83326s) stopped
T12 >> 1462337918.90884590 Blacs Orbital Layouts (40696.58427s) started
T12 >> 1462337918.91742706 General diagonalize (40534.71747s) started
T12 << 1462337973.79459906 General diagonalize (40589.59464s) stopped
T12 >> 1462337973.79464412 Redistribute coefs (6.20957s) started
T12 << 1462337973.80394697 Redistribute coefs (6.21888s) stopped
T12 >> 1462337973.80398989 Send coefs to domains (148.83104s) started
T12 << 1462337974.01777601 Send coefs to domains (149.04482s) stopped
T12 << 1462337974.01810503 Blacs Orbital Layouts (40751.69353s) stopped
T12 >> 1462337974.01816607 Calculate projections (1322.00723s) started
T12 << 1462337975.78642106 Calculate projections (1323.77549s) stopped
T12 << 1462337975.78677511 LCAO eigensolver (48772.16858s) stopped
T12 >> 1462337978.88003898 Density (11457.95304s) started
T12 >> 1462337978.88005495 Pseudo density (8833.86814s) started
T12 >> 1462337978.88183808 Calculate density matrix (8294.41218s) started
T12 << 1462337990.74022007 Calculate density matrix (8306.27056s) stopped
T12 >> 1462337990.74026704 Construct density (525.41762s) started
T12 << 1462337991.52166009 Construct density (526.19902s) stopped
T12 >> 1462337991.53574705 Symmetrize density (0.05937s) started
T12 << 1462337991.53580809 Symmetrize density (0.05943s) stopped
T12 << 1462337991.53789210 Pseudo density (8846.52597s) stopped
T12 >> 1462337991.53794789 Atomic density matrices (2317.26068s) started
T12 << 1462337994.98709893 Atomic density matrices (2320.70983s) stopped
T12 >> 1462337994.98713207 Multipole moments (8.66285s) started
T12 << 1462337995.00225306 Multipole moments (8.67797s) stopped
T12 >> 1462337995.00228310 Normalize (4.71358s) started
T12 << 1462337995.00834489 Normalize (4.71965s) stopped
T12 >> 1462337995.00844502 Mix (293.39249s) started
T12 << 1462337995.41740108 Mix (293.80144s) stopped
T12 << 1462337995.41748810 Density (11474.49049s) stopped
T12 >> 1462337995.41752410 Hamiltonian (34645.49702s) started
T12 >> 1462337995.41754103 vbar (18.60473s) started
T12 << 1462337995.43959594 vbar (18.62678s) stopped
T12 >> 1462337995.43966699 XC 3D grid (19660.65849s) started
T12 >> 1462337995.95391703 van der Waals (18988.15745s) started
T12 >> 1462337996.05966306 semilocal (4012.30420s) started
T12 << 1462338001.82418704 semilocal (4018.06873s) stopped
T12 >> 1462338001.90083098 redistribute (2042.00297s) started
T12 << 1462338002.92286396 redistribute (2043.02500s) stopped
T12 >> 1462338002.92290711 libvdwxc nonlocal (12801.35300s) started
T12 << 1462338021.90142894 libvdwxc nonlocal (12820.33152s) stopped
T12 >> 1462338021.90149307 redistribute (2043.02503s) started
T12 << 1462338023.62041998 redistribute (2044.74396s) stopped
T12 << 1462338023.62182212 van der Waals (19015.82535s) stopped
T12 << 1462338024.07269812 XC 3D grid (19689.29152s) stopped
T12 >> 1462338024.07276106 Poisson (4088.10444s) started
T12 << 1462338028.50344396 Poisson (4092.53512s) stopped
T12 >> 1462338028.50356102 Hartree integrate/restrict (259.00328s) started
T12 << 1462338028.55843210 Hartree integrate/restrict (259.05815s) stopped
T12 >> 1462338028.55854297 Hartree integrate/restrict (259.05823s) started
T12 << 1462338028.87030792 Hartree integrate/restrict (259.36999s) stopped
T12 >> 1462338028.87039804 Atomic (1662.45571s) started
T12 >> 1462338028.87225509 XC Correction (0.02311s) started
T12 << 1462338028.87228394 XC Correction (0.02314s) stopped
T12 << 1462338031.26137590 Atomic (1664.84669s) stopped
T12 >> 1462338031.26153994 Communicate (8956.39820s) started
T12 << 1462338048.15021706 Communicate (8973.28687s) stopped
T12 << 1462338048.15025592 Hamiltonian (34698.22975s) stopped
T12 >> 1462338048.15028095 LCAO eigensolver (48772.16860s) started
T12 >> 1462338048.15029407 Potential matrix (727.56097s) started
T12 << 1462338049.12275195 Potential matrix (728.53343s) stopped
T12 >> 1462338049.12282610 DistributedAtomicCorrection (307.62703s) started
T12 << 1462338049.57858205 DistributedAtomicCorrection (308.08279s) stopped
T12 >> 1462338049.57864308 Distribute overlap matrix (5657.83327s) started
T12 >> 1462338049.57866502 blocked summation (3159.04726s) started
T12 << 1462338054.20279503 blocked summation (3163.67139s) stopped
T12 >> 1462338054.21211195 Scalapack redistribute (2491.45626s) started
T12 << 1462338057.77789688 Scalapack redistribute (2495.02204s) stopped
T12 << 1462338057.77799392 Distribute overlap matrix (5666.03262s) stopped
T12 >> 1462338057.78218889 Blacs Orbital Layouts (40751.69358s) started
T12 >> 1462338057.79068494 General diagonalize (40589.59468s) started
T12 << 1462338111.18908000 General diagonalize (40642.99307s) stopped
T12 >> 1462338111.18915701 Redistribute coefs (6.21891s) started
T12 << 1462338111.19887900 Redistribute coefs (6.22863s) stopped
T12 >> 1462338111.19891906 Send coefs to domains (149.04486s) started
T12 << 1462338111.36757994 Send coefs to domains (149.21352s) stopped
T12 << 1462338111.36797500 Blacs Orbital Layouts (40805.27936s) stopped
T12 >> 1462338111.36800599 Calculate projections (1323.77554s) started
T12 << 1462338113.13547111 Calculate projections (1325.54300s) stopped
T12 << 1462338113.13582897 LCAO eigensolver (48837.15415s) stopped
T12 >> 1462338116.22510910 Density (11474.49050s) started
T12 >> 1462338116.22512507 Pseudo density (8846.52602s) started
T12 >> 1462338116.22758389 Calculate density matrix (8306.27059s) started
T12 << 1462338128.07376504 Calculate density matrix (8318.11677s) stopped
T12 >> 1462338128.07381797 Construct density (526.19907s) started
T12 << 1462338128.85466003 Construct density (526.97991s) stopped
T12 >> 1462338128.86841202 Symmetrize density (0.05944s) started
T12 << 1462338128.86846805 Symmetrize density (0.05950s) stopped
T12 << 1462338128.87053609 Pseudo density (8859.17143s) stopped
T12 >> 1462338128.87059212 Atomic density matrices (2320.70986s) started
T12 << 1462338132.34302402 Atomic density matrices (2324.18229s) stopped
T12 >> 1462338132.34305811 Multipole moments (8.67799s) started
T12 << 1462338132.35875201 Multipole moments (8.69369s) stopped
T12 >> 1462338132.35877991 Normalize (4.71973s) started
T12 << 1462338132.36528802 Normalize (4.72623s) stopped
T12 >> 1462338132.36538410 Mix (293.80153s) started
T12 << 1462338132.77290106 Mix (294.20905s) stopped
T12 << 1462338132.77301788 Density (11491.03841s) stopped
T12 >> 1462338132.77306604 Hamiltonian (34698.22976s) started
T12 >> 1462338132.77308607 vbar (18.62682s) started
T12 << 1462338132.80176997 vbar (18.65550s) stopped
T12 >> 1462338132.80188394 XC 3D grid (19689.29157s) started
T12 >> 1462338133.29989696 van der Waals (19015.82541s) started
T12 >> 1462338133.40606594 semilocal (4018.06882s) started
T12 << 1462338139.07019401 semilocal (4023.73295s) stopped
T12 >> 1462338139.16881800 redistribute (2044.74401s) started
T12 << 1462338140.27740312 redistribute (2045.85259s) stopped
T12 >> 1462338140.27744699 libvdwxc nonlocal (12820.33157s) started
T12 << 1462338158.54554892 libvdwxc nonlocal (12838.59968s) stopped
T12 >> 1462338158.54561710 redistribute (2045.85263s) started
T12 << 1462338160.25718999 redistribute (2047.56420s) stopped
T12 << 1462338160.25951409 van der Waals (19042.78503s) stopped
T12 << 1462338160.69499397 XC 3D grid (19717.18468s) stopped
T12 >> 1462338160.69503403 Poisson (4092.53522s) started
T12 << 1462338165.03295898 Poisson (4096.87314s) stopped
T12 >> 1462338165.03302789 Hartree integrate/restrict (259.37004s) started
T12 << 1462338165.07666206 Hartree integrate/restrict (259.41367s) stopped
T12 >> 1462338165.07676196 Hartree integrate/restrict (259.41374s) started
T12 << 1462338165.38962412 Hartree integrate/restrict (259.72661s) stopped
T12 >> 1462338165.38972712 Atomic (1664.84671s) started
T12 >> 1462338165.39162898 XC Correction (0.02315s) started
T12 << 1462338165.39165711 XC Correction (0.02318s) stopped
T12 << 1462338167.77806902 Atomic (1667.23505s) stopped
T12 >> 1462338167.77822900 Communicate (8973.28690s) started
T12 << 1462338184.80203009 Communicate (8990.31070s) stopped
T12 << 1462338184.80206895 Hamiltonian (34750.25877s) stopped
T12 >> 1462338184.80209494 LCAO eigensolver (48837.15417s) started
T12 >> 1462338184.80210805 Potential matrix (728.53347s) started
T12 << 1462338185.78229403 Potential matrix (729.51366s) stopped
T12 >> 1462338185.78236604 DistributedAtomicCorrection (308.08283s) started
T12 << 1462338186.23326397 DistributedAtomicCorrection (308.53372s) stopped
T12 >> 1462338186.23332191 Distribute overlap matrix (5666.03263s) started
T12 >> 1462338186.23334408 blocked summation (3163.67142s) started
T12 << 1462338190.87604904 blocked summation (3168.31413s) stopped
T12 >> 1462338190.88544297 Scalapack redistribute (2495.02210s) started
T12 << 1462338194.46766901 Scalapack redistribute (2498.60433s) stopped
T12 << 1462338194.46775794 Distribute overlap matrix (5674.26707s) stopped
T12 >> 1462338194.47217107 Blacs Orbital Layouts (40805.27938s) started
T12 >> 1462338194.48058105 General diagonalize (40642.99314s) started
T12 << 1462338249.03075695 General diagonalize (40697.54331s) stopped
T12 >> 1462338249.03080606 Redistribute coefs (6.22866s) started
T12 << 1462338249.04006100 Redistribute coefs (6.23792s) stopped
T12 >> 1462338249.04010296 Send coefs to domains (149.21355s) started
T12 << 1462338249.20230389 Send coefs to domains (149.37575s) stopped
T12 << 1462338249.20274210 Blacs Orbital Layouts (40860.00995s) stopped
T12 >> 1462338249.20277190 Calculate projections (1325.54305s) started
T12 << 1462338250.96982098 Calculate projections (1327.31010s) stopped
T12 << 1462338250.97017407 LCAO eigensolver (48903.32225s) stopped
T12 >> 1462338254.06004095 Density (11491.03843s) started
T12 >> 1462338254.06005692 Pseudo density (8859.17148s) started
T12 >> 1462338254.06263590 Calculate density matrix (8318.11681s) started
T12 << 1462338265.89177608 Calculate density matrix (8329.94595s) stopped
T12 >> 1462338265.89182806 Construct density (526.97996s) started
T12 << 1462338266.67161894 Construct density (527.75975s) stopped
T12 >> 1462338266.68531394 Symmetrize density (0.05952s) started
T12 << 1462338266.68536997 Symmetrize density (0.05957s) stopped
T12 << 1462338266.68743896 Pseudo density (8871.79886s) stopped
T12 >> 1462338266.68749404 Atomic density matrices (2324.18231s) started
T12 << 1462338270.12228703 Atomic density matrices (2327.61711s) stopped
T12 >> 1462338270.12232089 Multipole moments (8.69370s) started
T12 << 1462338270.13810492 Multipole moments (8.70949s) stopped
T12 >> 1462338270.13813400 Normalize (4.72631s) started
T12 << 1462338270.14462209 Normalize (4.73280s) stopped
T12 >> 1462338270.14469409 Mix (294.20916s) started
T12 << 1462338270.55647302 Mix (294.62094s) stopped
T12 << 1462338270.55655003 Density (11507.53494s) stopped
T12 >> 1462338270.55658197 Hamiltonian (34750.25878s) started
T12 >> 1462338270.55659795 vbar (18.65557s) started
T12 << 1462338270.58697104 vbar (18.68594s) stopped
T12 >> 1462338270.58704495 XC 3D grid (19717.18471s) started
T12 >> 1462338271.13153911 van der Waals (19042.78512s) started
T12 >> 1462338271.23506999 semilocal (4023.73306s) started
T12 << 1462338276.88412404 semilocal (4029.38212s) stopped
T12 >> 1462338276.98182893 redistribute (2047.56429s) started
T12 << 1462338278.09802699 redistribute (2048.68049s) stopped
T12 >> 1462338278.09807110 libvdwxc nonlocal (12838.59973s) started
T12 << 1462338296.72945809 libvdwxc nonlocal (12857.23111s) stopped
T12 >> 1462338296.72950792 redistribute (2048.68052s) started
T12 << 1462338298.37623096 redistribute (2050.32724s) stopped
T12 << 1462338298.37750697 van der Waals (19070.03109s) stopped
T12 << 1462338298.82523298 XC 3D grid (19745.42290s) stopped
T12 >> 1462338298.82528305 Poisson (4096.87319s) started
T12 << 1462338303.23008299 Poisson (4101.27799s) stopped
T12 >> 1462338303.23017693 Hartree integrate/restrict (259.72666s) started
T12 << 1462338303.27883792 Hartree integrate/restrict (259.77532s) stopped
T12 >> 1462338303.27890897 Hartree integrate/restrict (259.77537s) started
T12 << 1462338303.58983707 Hartree integrate/restrict (260.08630s) stopped
T12 >> 1462338303.58993101 Atomic (1667.23507s) started
T12 >> 1462338303.59180689 XC Correction (0.02319s) started
T12 << 1462338303.59183311 XC Correction (0.02322s) stopped
T12 << 1462338305.97885108 Atomic (1669.62399s) stopped
T12 >> 1462338305.97901106 Communicate (8990.31073s) started
T12 << 1462338323.03790092 Communicate (9007.36962s) stopped
T12 << 1462338323.03794098 Hamiltonian (34802.74014s) stopped
T12 >> 1462338323.03796601 LCAO eigensolver (48903.32227s) started
T12 >> 1462338323.03797889 Potential matrix (729.51370s) started
T12 << 1462338324.02029204 Potential matrix (730.49602s) stopped
T12 >> 1462338324.02036500 DistributedAtomicCorrection (308.53376s) started
T12 << 1462338324.47428799 DistributedAtomicCorrection (308.98769s) stopped
T12 >> 1462338324.47434711 Distribute overlap matrix (5674.26708s) started
T12 >> 1462338324.47436905 blocked summation (3168.31416s) started
T12 << 1462338329.06940699 blocked summation (3172.90920s) stopped
T12 >> 1462338329.07970309 Scalapack redistribute (2498.60438s) started
T12 << 1462338332.65877199 Scalapack redistribute (2502.18345s) stopped
T12 << 1462338332.65885091 Distribute overlap matrix (5682.45159s) stopped
T12 >> 1462338332.66313195 Blacs Orbital Layouts (40860.00997s) started
T12 >> 1462338332.67141199 General diagonalize (40697.54335s) started
T12 << 1462338385.72798800 General diagonalize (40750.59992s) stopped
T12 >> 1462338385.72806191 Redistribute coefs (6.23795s) started
T12 << 1462338385.73782396 Redistribute coefs (6.24771s) stopped
T12 >> 1462338385.73786712 Send coefs to domains (149.37579s) started
T12 << 1462338385.86427307 Send coefs to domains (149.50219s) stopped
T12 << 1462338385.86470103 Blacs Orbital Layouts (40913.21154s) stopped
T12 >> 1462338385.86473298 Calculate projections (1327.31015s) started
T12 << 1462338387.63327289 Calculate projections (1329.07869s) stopped
T12 << 1462338387.63363099 LCAO eigensolver (48967.91793s) stopped
T12 >> 1462338390.70399189 Density (11507.53495s) started
T12 >> 1462338390.70400810 Pseudo density (8871.79890s) started
T12 >> 1462338390.70590496 Calculate density matrix (8329.94599s) started
T12 << 1462338402.51332211 Calculate density matrix (8341.75341s) stopped
T12 >> 1462338402.51336908 Construct density (527.75980s) started
T12 << 1462338403.29475594 Construct density (528.54119s) stopped
T12 >> 1462338403.30888700 Symmetrize density (0.05959s) started
T12 << 1462338403.30894494 Symmetrize density (0.05965s) stopped
T12 << 1462338403.31102610 Pseudo density (8884.40592s) stopped
T12 >> 1462338403.31108499 Atomic density matrices (2327.61713s) started
T12 << 1462338406.89129210 Atomic density matrices (2331.19734s) stopped
T12 >> 1462338406.89132595 Multipole moments (8.70950s) started
T12 << 1462338406.90700293 Multipole moments (8.72518s) stopped
T12 >> 1462338406.90703201 Normalize (4.73285s) started
T12 << 1462338406.91336203 Normalize (4.73918s) stopped
T12 >> 1462338406.91341305 Mix (294.62101s) started
T12 << 1462338407.32381105 Mix (295.03141s) stopped
T12 << 1462338407.32388997 Density (11524.15485s) stopped
T12 >> 1462338407.32391906 Hamiltonian (34802.74015s) started
T12 >> 1462338407.32393503 vbar (18.68598s) started
T12 << 1462338407.34659100 vbar (18.70863s) stopped
T12 >> 1462338407.34669709 XC 3D grid (19745.42294s) started
T12 >> 1462338407.85046697 van der Waals (19070.03114s) started
T12 >> 1462338407.95611310 semilocal (4029.38223s) started
T12 << 1462338413.72634411 semilocal (4035.15246s) stopped
T12 >> 1462338413.80123091 redistribute (2050.32730s) started
T12 << 1462338414.83300996 redistribute (2051.35908s) stopped
T12 >> 1462338414.83306193 libvdwxc nonlocal (12857.23115s) started
T12 << 1462338433.52063894 libvdwxc nonlocal (12875.91873s) stopped
T12 >> 1462338433.52069807 redistribute (2051.35911s) started
T12 << 1462338435.26243901 redistribute (2053.10085s) stopped
T12 << 1462338435.26437807 van der Waals (19097.44505s) stopped
T12 << 1462338435.70507503 XC 3D grid (19773.78132s) stopped
T12 >> 1462338435.70514297 Poisson (4101.27806s) started
T12 << 1462338438.64330697 Poisson (4104.21623s) stopped
T12 >> 1462338438.64343596 Hartree integrate/restrict (260.08635s) started
T12 << 1462338438.69273806 Hartree integrate/restrict (260.13565s) stopped
T12 >> 1462338438.69283605 Hartree integrate/restrict (260.13572s) started
T12 << 1462338439.00067902 Hartree integrate/restrict (260.44357s) stopped
T12 >> 1462338439.00077200 Atomic (1669.62402s) started
T12 >> 1462338439.00261092 XC Correction (0.02323s) started
T12 << 1462338439.00264192 XC Correction (0.02326s) stopped
T12 << 1462338441.39143109 Atomic (1672.01468s) stopped
T12 >> 1462338441.39158392 Communicate (9007.36964s) started
T12 << 1462338458.48466706 Communicate (9024.46273s) stopped
T12 << 1462338458.48470402 Hamiltonian (34853.90094s) stopped
T12 >> 1462338458.48474789 LCAO eigensolver (48967.91795s) started
T12 >> 1462338458.48476195 Potential matrix (730.49606s) started
T12 << 1462338459.46096206 Potential matrix (731.47226s) stopped
T12 >> 1462338459.46104598 DistributedAtomicCorrection (308.98772s) started
T12 << 1462338459.91199493 DistributedAtomicCorrection (309.43867s) stopped
T12 >> 1462338459.91205597 Distribute overlap matrix (5682.45160s) started
T12 >> 1462338459.91207790 blocked summation (3172.90923s) started
T12 << 1462338464.53633094 blocked summation (3177.53348s) stopped
T12 >> 1462338464.54563189 Scalapack redistribute (2502.18349s) started
T12 << 1462338468.14365005 Scalapack redistribute (2505.78151s) stopped
T12 << 1462338468.14373302 Distribute overlap matrix (5690.68328s) stopped
T12 >> 1462338468.14804697 Blacs Orbital Layouts (40913.21156s) started
T12 >> 1462338468.15644598 General diagonalize (40750.59999s) started
T12 << 1462338522.08898497 General diagonalize (40804.53253s) stopped
T12 >> 1462338522.08903098 Redistribute coefs (6.24774s) started
T12 << 1462338522.09861898 Redistribute coefs (6.25733s) stopped
T12 >> 1462338522.09865999 Send coefs to domains (149.50222s) started
T12 << 1462338522.19421005 Send coefs to domains (149.59777s) stopped
T12 << 1462338522.19468403 Blacs Orbital Layouts (40967.25820s) stopped
T12 >> 1462338522.19471502 Calculate projections (1329.07874s) started
T12 << 1462338523.96356893 Calculate projections (1330.84759s) stopped
T12 << 1462338523.96392012 LCAO eigensolver (49033.39712s) stopped
T12 << 1462338527.02416706 SCF-cycle (97802.24536s) stopped
T12 >> 1462338529.10967493 Force calculation (4575.73854s) started
T12 >> 1462338529.10975790 LCAO forces (4526.14308s) started
T12 >> 1462338529.11012697 Initial (0.00131s) started
T12 << 1462338529.11013794 Initial (0.00133s) stopped
T12 >> 1462338529.11696005 Get density matrix (2357.52831s) started
T12 << 1462338538.25308299 Get density matrix (2366.66443s) stopped
T12 >> 1462338538.25312591 Potential (356.65069s) started
T12 << 1462338544.49193692 Potential (362.88951s) stopped
T12 >> 1462338544.49199390 Get density matrix (2366.66446s) started
T12 << 1462338575.92528892 Get density matrix (2398.09776s) stopped
T12 >> 1462338575.92534709 Prepare TCI loop (126.39853s) started
T12 >> 1462338575.92585897 Get neighbors (113.16193s) started
T12 << 1462338577.86690903 Get neighbors (115.10298s) stopped
T12 >> 1462338577.86731601 broadcast dH (13.16789s) started
T12 << 1462338578.28892994 broadcast dH (13.58950s) stopped
T12 << 1462338578.28897190 Prepare TCI loop (128.76215s) stopped
T12 >> 1462338578.28899193 Not so complicated loop (6.92452s) started
T12 << 1462338578.40736103 Not so complicated loop (7.04289s) stopped
T12 >> 1462338578.52536798 Complicated loop (1095.40051s) started
T12 << 1462338598.00140405 Complicated loop (1114.87655s) stopped
T12 >> 1462338598.00254703 Wait for sum (575.78008s) started
T12 << 1462338609.33358407 Wait for sum (587.11112s) stopped
T12 << 1462338609.33362198 LCAO forces (4606.36695s) stopped
T12 << 1462338610.17291307 Force calculation (4656.80178s) stopped
T12 >> 1462338610.19061899 Initialization (7644.34124s) started
T12 << 1462338610.19079590 Initialization (7644.34142s) stopped
T12 >> 1462338610.19103098 Initialization (7644.34143s) started
T12 << 1462338610.19116807 Initialization (7644.34157s) stopped
T12 >> 1462338610.19130802 Initialization (7644.34158s) started
T12 << 1462338610.19144106 Initialization (7644.34172s) stopped
T12 >> 1462338630.54117298 Initialization (7644.34174s) started
T12 >> 1462338630.67755198 Basic WFS set positions (5.22192s) started
T12 >> 1462338630.67757702 Redistribute (0.01545s) started
T12 << 1462338630.67771411 Redistribute (0.01559s) stopped
T12 << 1462338630.76830792 Basic WFS set positions (5.31267s) stopped
T12 >> 1462338630.76833701 Basis functions set positions (109.66878s) started
T12 << 1462338632.79922700 Basis functions set positions (111.69967s) stopped
T12 >> 1462338632.80009890 TCI: Calculate S, T, P (908.47052s) started
T12 << 1462338648.63717008 TCI: Calculate S, T, P (924.30759s) stopped
T12 >> 1462338648.63722491 blocked summation (1479.30175s) started
T12 << 1462338680.37453198 blocked summation (1511.03905s) stopped
T12 >> 1462338680.38320494 Scalapack redistribute (540.80884s) started
T12 << 1462338689.59813499 Scalapack redistribute (550.02377s) stopped
T12 >> 1462338689.59915304 blocked summation (1511.03911s) started
T12 << 1462338690.58906293 blocked summation (1512.02902s) stopped
T12 >> 1462338690.59891701 Scalapack redistribute (550.02381s) started
T12 << 1462338690.89713311 Scalapack redistribute (550.32203s) stopped
T12 >> 1462338690.89897203 Redistribute (0.11779s) started
T12 << 1462338690.89948106 Redistribute (0.11829s) stopped
T12 >> 1462338692.63275504 Redistribute (0.11831s) started
T12 << 1462338692.63321590 Redistribute (0.11877s) stopped
T12 >> 1462338692.64624810 LCAO WFS Initialize (4484.95406s) started
T12 >> 1462338692.64633799 Density initialize from wavefunctions (846.83430s) started
T12 >> 1462338692.65332794 Calculate density matrix (584.74276s) started
T12 << 1462338702.45400095 Calculate density matrix (594.54343s) stopped
T12 >> 1462338702.45404911 Construct density (44.68464s) started
T12 << 1462338703.23894811 Construct density (45.46954s) stopped
T12 >> 1462338703.25324893 Symmetrize density (0.00488s) started
T12 << 1462338703.25331497 Symmetrize density (0.00494s) stopped
T12 << 1462338707.08812809 Density initialize from wavefunctions (861.27609s) stopped
T12 >> 1462338707.08838797 Hamiltonian (3637.18718s) started
T12 >> 1462338707.08840489 vbar (1.66486s) started
T12 << 1462338707.12158108 vbar (1.69803s) stopped
T12 >> 1462338707.12174296 XC 3D grid (1707.53536s) started
T12 >> 1462338707.61368108 van der Waals (1649.41692s) started
T12 >> 1462338707.72297406 semilocal (347.48246s) started
T12 << 1462338713.49424791 semilocal (353.25373s) stopped
T12 >> 1462338713.57656503 redistribute (187.52646s) started
T12 << 1462338714.57707310 redistribute (188.52697s) stopped
T12 >> 1462338714.57711411 libvdwxc nonlocal (1102.89525s) started
T12 << 1462338733.93858409 libvdwxc nonlocal (1122.25672s) stopped
T12 >> 1462338733.93864989 redistribute (188.52700s) started
T12 << 1462338735.66830301 redistribute (190.25666s) stopped
T12 << 1462338735.66931009 van der Waals (1677.47255s) stopped
T12 << 1462338736.14390492 XC 3D grid (1736.55752s) stopped
T12 >> 1462338736.14396596 Poisson (857.61958s) started
T12 << 1462338747.73926401 Poisson (869.21488s) stopped
T12 >> 1462338747.73936105 Hartree integrate/restrict (22.41671s) started
T12 << 1462338747.79023290 Hartree integrate/restrict (22.46758s) stopped
T12 >> 1462338747.79033494 Hartree integrate/restrict (22.46765s) started
T12 << 1462338748.12677693 Hartree integrate/restrict (22.80409s) stopped
T12 >> 1462338748.12691307 Atomic (142.36175s) started
T12 >> 1462338748.12989807 XC Correction (0.00217s) started
T12 << 1462338748.12994003 XC Correction (0.00222s) stopped
T12 << 1462338750.50826311 Atomic (144.74310s) stopped
T12 >> 1462338750.50842905 Communicate (905.53930s) started
T12 << 1462338768.96112609 Communicate (923.99200s) stopped
T12 << 1462338768.96115994 Hamiltonian (3699.05995s) stopped
T12 << 1462338768.96117401 LCAO WFS Initialize (4561.26898s) stopped
T12 << 1462338768.97326803 Initialization (7782.77383s) stopped
T12 >> 1462338768.99932694 SCF-cycle (97802.24538s) started
T12 >> 1462338768.99936104 LCAO eigensolver (49033.39714s) started
T12 >> 1462338768.99937510 Potential matrix (731.47231s) started
T12 << 1462338769.97347212 Potential matrix (732.44641s) stopped
T12 >> 1462338769.97354198 DistributedAtomicCorrection (309.43871s) started
T12 << 1462338770.42415190 DistributedAtomicCorrection (309.88932s) stopped
T12 >> 1462338770.42419791 Distribute overlap matrix (5690.68329s) started
T12 >> 1462338770.42422605 blocked summation (3177.53351s) started
T12 << 1462338775.09026504 blocked summation (3182.19955s) stopped
T12 >> 1462338775.09956694 Scalapack redistribute (2505.78156s) started
T12 << 1462338778.68925190 Scalapack redistribute (2509.37124s) stopped
T12 << 1462338778.68933606 Distribute overlap matrix (5698.94843s) stopped
T12 >> 1462338778.69329500 Blacs Orbital Layouts (40967.25822s) started
T12 >> 1462338778.70139503 General diagonalize (40804.53256s) started
T12 << 1462338834.91656303 General diagonalize (40860.74773s) stopped
T12 >> 1462338834.91661596 Redistribute coefs (6.25736s) started
T12 << 1462338834.92524600 Redistribute coefs (6.26599s) stopped
T12 >> 1462338834.92531490 Send coefs to domains (149.59780s) started
T12 << 1462338835.18114090 Send coefs to domains (149.85363s) stopped
T12 << 1462338835.18135095 Blacs Orbital Layouts (41023.74627s) stopped
T12 >> 1462338835.18137908 Calculate projections (1330.84764s) started
T12 << 1462338836.94606209 Calculate projections (1332.61233s) stopped
T12 << 1462338836.94624901 LCAO eigensolver (49101.34403s) stopped
T12 >> 1462338840.03991508 Density (11524.15487s) started
T12 >> 1462338840.03993011 Pseudo density (8884.40597s) started
T12 >> 1462338840.04187107 Calculate density matrix (8341.75344s) started
T12 << 1462338851.87361312 Calculate density matrix (8353.58518s) stopped
T12 >> 1462338851.87366104 Construct density (528.54124s) started
T12 << 1462338852.65792799 Construct density (529.32551s) stopped
T12 >> 1462338852.67195010 Symmetrize density (0.05966s) started
T12 << 1462338852.67201996 Symmetrize density (0.05973s) stopped
T12 << 1462338852.67396688 Pseudo density (8897.04000s) stopped
T12 >> 1462338852.67402601 Atomic density matrices (2331.19736s) started
T12 << 1462338856.17935491 Atomic density matrices (2334.70269s) stopped
T12 >> 1462338856.17938709 Multipole moments (8.72520s) started
T12 << 1462338856.19495201 Multipole moments (8.74076s) stopped
T12 >> 1462338856.19497490 Normalize (4.73921s) started
T12 << 1462338856.20129395 Normalize (4.74553s) stopped
T12 >> 1462338856.20135689 Mix (295.03149s) started
T12 << 1462338856.57239890 Mix (295.40253s) stopped
T12 << 1462338856.57251191 Density (11540.68746s) stopped
T12 >> 1462338856.57255507 Hamiltonian (34853.90097s) started
T12 >> 1462338856.57257509 vbar (18.70869s) started
T12 << 1462338856.59894609 vbar (18.73506s) stopped
T12 >> 1462338856.59907389 XC 3D grid (19773.78137s) started
T12 >> 1462338857.09319901 van der Waals (19097.44514s) started
T12 >> 1462338857.20455289 semilocal (4035.15257s) started
T12 << 1462338862.97823811 semilocal (4040.92625s) stopped
T12 >> 1462338863.06071401 redistribute (2053.10094s) started
T12 << 1462338864.04719305 redistribute (2054.08742s) stopped
T12 >> 1462338864.04723597 libvdwxc nonlocal (12875.91877s) started
T12 << 1462338882.72607088 libvdwxc nonlocal (12894.59761s) stopped
T12 >> 1462338882.72613502 redistribute (2054.08746s) started
T12 << 1462338884.50845003 redistribute (2055.86977s) stopped
T12 << 1462338884.50962710 van der Waals (19124.86156s) stopped
T12 << 1462338884.97885299 XC 3D grid (19802.16115s) stopped
T12 >> 1462338884.97889304 Poisson (4104.21633s) started
T12 << 1462338889.42139006 Poisson (4108.65883s) stopped
T12 >> 1462338889.42145395 Hartree integrate/restrict (260.44361s) started
T12 << 1462338889.47726202 Hartree integrate/restrict (260.49942s) stopped
T12 >> 1462338889.47730994 Hartree integrate/restrict (260.49945s) started
T12 << 1462338889.80064702 Hartree integrate/restrict (260.82279s) stopped
T12 >> 1462338889.80072808 Atomic (1672.01470s) started
T12 >> 1462338889.80291009 XC Correction (0.02328s) started
T12 << 1462338889.80293202 XC Correction (0.02330s) stopped
T12 << 1462338892.18506789 Atomic (1674.39904s) stopped
T12 >> 1462338892.18524289 Communicate (9024.46275s) started
T12 << 1462338910.73940396 Communicate (9043.01691s) stopped
T12 << 1462338910.73943996 Hamiltonian (34908.06785s) stopped
T12 >> 1462338910.73946404 LCAO eigensolver (49101.34404s) started
T12 >> 1462338910.73947692 Potential matrix (732.44645s) started
T12 << 1462338911.72584796 Potential matrix (733.43282s) stopped
T12 >> 1462338911.72591996 DistributedAtomicCorrection (309.88936s) started
T12 << 1462338912.17662811 DistributedAtomicCorrection (310.34007s) stopped
T12 >> 1462338912.17667508 Distribute overlap matrix (5698.94844s) started
T12 >> 1462338912.17670298 blocked summation (3182.19958s) started
T12 << 1462338916.90350389 blocked summation (3186.92638s) stopped
T12 >> 1462338916.91321492 Scalapack redistribute (2509.37131s) started
T12 << 1462338920.53278995 Scalapack redistribute (2512.99089s) stopped
T12 << 1462338920.53289509 Distribute overlap matrix (5707.30466s) stopped
T12 >> 1462338920.53699803 Blacs Orbital Layouts (41023.74629s) started
T12 >> 1462338920.54495692 General diagonalize (40860.74777s) started
T12 << 1462338978.06468201 General diagonalize (40918.26750s) stopped
T12 >> 1462338978.06472707 Redistribute coefs (6.26605s) started
T12 << 1462338978.07225704 Redistribute coefs (6.27358s) stopped
T12 >> 1462338978.07238102 Send coefs to domains (149.85367s) started
T12 << 1462338978.18062305 Send coefs to domains (149.96191s) stopped
T12 << 1462338978.18083310 Blacs Orbital Layouts (41081.39013s) stopped
T12 >> 1462338978.18086100 Calculate projections (1332.61237s) started
T12 << 1462338979.94480491 Calculate projections (1334.37632s) stopped
T12 << 1462338979.94518805 LCAO eigensolver (49170.54977s) stopped
T12 >> 1462338983.04125309 Density (11540.68748s) started
T12 >> 1462338983.04126692 Pseudo density (8897.04005s) started
T12 >> 1462338983.04309106 Calculate density matrix (8353.58522s) started
T12 << 1462338994.91994596 Calculate density matrix (8365.46207s) stopped
T12 >> 1462338994.91999507 Construct density (529.32556s) started
T12 << 1462338995.70487309 Construct density (530.11044s) stopped
T12 >> 1462338995.71901202 Symmetrize density (0.05975s) started
T12 << 1462338995.71908092 Symmetrize density (0.05982s) stopped
T12 << 1462338995.72104907 Pseudo density (8909.71984s) stopped
T12 >> 1462338995.72110891 Atomic density matrices (2334.70272s) started
T12 << 1462338999.21168494 Atomic density matrices (2338.19329s) stopped
T12 >> 1462338999.21171689 Multipole moments (8.74078s) started
T12 << 1462338999.22741604 Multipole moments (8.75648s) stopped
T12 >> 1462338999.22743893 Normalize (4.74558s) started
T12 << 1462338999.23359609 Normalize (4.75174s) stopped
T12 >> 1462338999.23368597 Mix (295.40264s) started
T12 << 1462338999.60609603 Mix (295.77505s) stopped
T12 << 1462338999.60614610 Density (11557.25237s) stopped
T12 >> 1462338999.60617208 Hamiltonian (34908.06787s) started
T12 >> 1462338999.60618711 vbar (18.73514s) started
T12 << 1462338999.63079190 vbar (18.75974s) stopped
T12 >> 1462338999.63089490 XC 3D grid (19802.16118s) started
T12 >> 1462339000.13647008 van der Waals (19124.86159s) started
T12 >> 1462339000.24919009 semilocal (4040.92633s) started
T12 << 1462339006.04257107 semilocal (4046.71971s) stopped
T12 >> 1462339006.12003899 redistribute (2055.86983s) started
T12 << 1462339007.14638710 redistribute (2056.89617s) stopped
T12 >> 1462339007.14642906 libvdwxc nonlocal (12894.59766s) started
T12 << 1462339026.12090492 libvdwxc nonlocal (12913.57213s) stopped
T12 >> 1462339026.12097096 redistribute (2056.89621s) started
T12 << 1462339027.84445810 redistribute (2058.61969s) stopped
T12 << 1462339027.84558511 van der Waals (19152.57070s) stopped
T12 << 1462339028.31331801 XC 3D grid (19830.84361s) stopped
T12 >> 1462339028.31336188 Poisson (4108.65887s) started
T12 << 1462339039.85780311 Poisson (4120.20332s) stopped
T12 >> 1462339039.85787106 Hartree integrate/restrict (260.82282s) started
T12 << 1462339039.90393209 Hartree integrate/restrict (260.86889s) stopped
T12 >> 1462339039.90402603 Hartree integrate/restrict (260.86895s) started
T12 << 1462339040.22071004 Hartree integrate/restrict (261.18564s) stopped
T12 >> 1462339040.22080708 Atomic (1674.39906s) started
T12 >> 1462339040.22254705 XC Correction (0.02331s) started
T12 << 1462339040.22256303 XC Correction (0.02333s) stopped
T12 << 1462339042.60955501 Atomic (1676.78781s) stopped
T12 >> 1462339042.60972500 Communicate (9043.01693s) started
T12 << 1462339061.07487297 Communicate (9061.48208s) stopped
T12 << 1462339061.07490993 Hamiltonian (34969.53660s) stopped
T12 >> 1462339061.07495403 LCAO eigensolver (49170.54979s) started
T12 >> 1462339061.07496691 Potential matrix (733.43287s) started
T12 << 1462339062.05347705 Potential matrix (734.41138s) stopped
T12 >> 1462339062.05354905 DistributedAtomicCorrection (310.34011s) started
T12 << 1462339062.51294208 DistributedAtomicCorrection (310.79950s) stopped
T12 >> 1462339062.51299000 Distribute overlap matrix (5707.30467s) started
T12 >> 1462339062.51301789 blocked summation (3186.92641s) started
T12 << 1462339067.18502903 blocked summation (3191.59843s) stopped
T12 >> 1462339067.19483709 Scalapack redistribute (2512.99095s) started
T12 << 1462339070.87941909 Scalapack redistribute (2516.67553s) stopped
T12 << 1462339070.87950993 Distribute overlap matrix (5715.67119s) stopped
T12 >> 1462339070.88331008 Blacs Orbital Layouts (41081.39015s) started
T12 >> 1462339070.89120197 General diagonalize (40918.26753s) started
T12 << 1462339126.02269411 General diagonalize (40973.39903s) stopped
T12 >> 1462339126.02274108 Redistribute coefs (6.27368s) started
T12 << 1462339126.03012109 Redistribute coefs (6.28106s) stopped
T12 >> 1462339126.03020597 Send coefs to domains (149.96194s) started
T12 << 1462339126.19369793 Send coefs to domains (150.12543s) stopped
T12 << 1462339126.19388294 Blacs Orbital Layouts (41136.70072s) stopped
T12 >> 1462339126.19391203 Calculate projections (1334.37637s) started
T12 << 1462339127.95867300 Calculate projections (1336.14113s) stopped
T12 << 1462339127.95904398 LCAO eigensolver (49237.43388s) stopped
T12 >> 1462339131.03052998 Density (11557.25239s) started
T12 >> 1462339131.03054500 Pseudo density (8909.71988s) started
T12 >> 1462339131.03221393 Calculate density matrix (8365.46211s) started
T12 << 1462339142.84598303 Calculate density matrix (8377.27588s) stopped
T12 >> 1462339142.84603190 Construct density (530.11049s) started
T12 << 1462339143.63115001 Construct density (530.89561s) stopped
T12 >> 1462339143.64682102 Symmetrize density (0.05983s) started
T12 << 1462339143.64688993 Symmetrize density (0.05990s) stopped
T12 << 1462339143.64884400 Pseudo density (8922.33818s) stopped
T12 >> 1462339143.64890289 Atomic density matrices (2338.19332s) started
T12 << 1462339147.14769006 Atomic density matrices (2341.69210s) stopped
T12 >> 1462339147.14772201 Multipole moments (8.75650s) started
T12 << 1462339147.16336799 Multipole moments (8.77214s) stopped
T12 >> 1462339147.16339803 Normalize (4.75181s) started
T12 << 1462339147.16961789 Normalize (4.75803s) stopped
T12 >> 1462339147.16970491 Mix (295.77510s) started
T12 << 1462339147.55061698 Mix (296.15601s) stopped
T12 << 1462339147.55066395 Density (11573.77252s) stopped
T12 >> 1462339147.55068994 Hamiltonian (34969.53663s) started
T12 >> 1462339147.55070400 vbar (18.75980s) started
T12 << 1462339147.57047510 vbar (18.77958s) stopped
T12 >> 1462339147.57058597 XC 3D grid (19830.84364s) started
T12 >> 1462339148.09549689 van der Waals (19152.57073s) started
T12 >> 1462339148.20851707 semilocal (4046.71981s) started
T12 << 1462339154.02474689 semilocal (4052.53604s) stopped
T12 >> 1462339154.09789300 redistribute (2058.61975s) started
T12 << 1462339155.09140396 redistribute (2059.61326s) stopped
T12 >> 1462339155.09144497 libvdwxc nonlocal (12913.57218s) started
T12 << 1462339174.01745796 libvdwxc nonlocal (12932.49819s) stopped
T12 >> 1462339174.01749897 redistribute (2059.61329s) started
T12 << 1462339175.70997810 redistribute (2061.30577s) stopped
T12 << 1462339175.71097302 van der Waals (19180.18621s) stopped
T12 << 1462339176.17844296 XC 3D grid (19859.45150s) stopped
T12 >> 1462339176.17849994 Poisson (4120.20336s) started
T12 << 1462339182.12990308 Poisson (4126.15477s) stopped
T12 >> 1462339182.12998295 Hartree integrate/restrict (261.18569s) started
T12 << 1462339182.18619204 Hartree integrate/restrict (261.24189s) stopped
T12 >> 1462339182.18623590 Hartree integrate/restrict (261.24192s) started
T12 << 1462339182.52771902 Hartree integrate/restrict (261.58341s) stopped
T12 >> 1462339182.52780008 Atomic (1676.78783s) started
T12 >> 1462339182.52957892 XC Correction (0.02334s) started
T12 << 1462339182.52959299 XC Correction (0.02335s) stopped
T12 << 1462339184.89746499 Atomic (1679.15750s) stopped
T12 >> 1462339184.89764404 Communicate (9061.48211s) started
T12 << 1462339203.28586698 Communicate (9079.87033s) stopped
T12 << 1462339203.28590393 Hamiltonian (35025.27185s) stopped
T12 >> 1462339203.28592896 LCAO eigensolver (49237.43390s) started
T12 >> 1462339203.28594208 Potential matrix (734.41142s) started
T12 << 1462339204.26220703 Potential matrix (735.38768s) stopped
T12 >> 1462339204.26229191 DistributedAtomicCorrection (310.79954s) started
T12 << 1462339204.71914196 DistributedAtomicCorrection (311.25639s) stopped
T12 >> 1462339204.71918988 Distribute overlap matrix (5715.67121s) started
T12 >> 1462339204.71921802 blocked summation (3191.59848s) started
T12 << 1462339209.34389305 blocked summation (3196.22315s) stopped
T12 >> 1462339209.35326195 Scalapack redistribute (2516.67558s) started
T12 << 1462339213.07648492 Scalapack redistribute (2520.39880s) stopped
T12 << 1462339213.07657695 Distribute overlap matrix (5724.02859s) stopped
T12 >> 1462339213.08184195 Blacs Orbital Layouts (41136.70074s) started
T12 >> 1462339213.09017801 General diagonalize (40973.39906s) started
T12 << 1462339269.08464909 General diagonalize (41029.39354s) stopped
T12 >> 1462339269.08469391 Redistribute coefs (6.28112s) started
T12 << 1462339269.09193492 Redistribute coefs (6.28837s) stopped
T12 >> 1462339269.09201789 Send coefs to domains (150.12546s) started
T12 << 1462339269.20819902 Send coefs to domains (150.24165s) stopped
T12 << 1462339269.20837092 Blacs Orbital Layouts (41192.82727s) stopped
T12 >> 1462339269.20839906 Calculate projections (1336.14118s) started
T12 << 1462339270.97482705 Calculate projections (1337.90761s) stopped
T12 << 1462339270.97500992 LCAO eigensolver (49305.12298s) stopped
T12 >> 1462339274.07771111 Density (11573.77253s) started
T12 >> 1462339274.07772493 Pseudo density (8922.33823s) started
T12 >> 1462339274.07935691 Calculate density matrix (8377.27591s) started
T12 << 1462339285.92394590 Calculate density matrix (8389.12050s) stopped
T12 >> 1462339285.92399406 Construct density (530.89566s) started
T12 << 1462339286.71100712 Construct density (531.68267s) stopped
T12 >> 1462339286.72520804 Symmetrize density (0.05992s) started
T12 << 1462339286.72527790 Symmetrize density (0.05999s) stopped
T12 << 1462339286.72729397 Pseudo density (8934.98780s) stopped
T12 >> 1462339286.72735310 Atomic density matrices (2341.69213s) started
T12 << 1462339290.27020311 Atomic density matrices (2345.23498s) stopped
T12 >> 1462339290.27023911 Multipole moments (8.77216s) started
T12 << 1462339290.28589392 Multipole moments (8.78781s) stopped
T12 >> 1462339290.28592491 Normalize (4.75810s) started
T12 << 1462339290.29221702 Normalize (4.76439s) stopped
T12 >> 1462339290.29226899 Mix (296.15606s) started
T12 << 1462339290.71757293 Mix (296.58137s) stopped
T12 << 1462339290.71762991 Density (11590.41245s) stopped
T12 >> 1462339290.71765900 Hamiltonian (35025.27186s) started
T12 >> 1462339290.71767402 vbar (18.77964s) started
T12 << 1462339290.74180293 vbar (18.80377s) stopped
T12 >> 1462339290.74191189 XC 3D grid (19859.45154s) started
T12 >> 1462339291.22350192 van der Waals (19180.18624s) started
T12 >> 1462339291.33376098 semilocal (4052.53612s) started
T12 << 1462339297.15620995 semilocal (4058.35857s) stopped
T12 >> 1462339297.22992206 redistribute (2061.30582s) started
T12 << 1462339298.22817802 redistribute (2062.30408s) stopped
T12 >> 1462339298.22823191 libvdwxc nonlocal (12932.49822s) started
T12 << 1462339316.92287207 libvdwxc nonlocal (12951.19286s) stopped
T12 >> 1462339316.92293406 redistribute (2062.30411s) started
T12 << 1462339318.60752010 redistribute (2063.98870s) stopped
T12 << 1462339318.60836005 van der Waals (19207.57109s) stopped
T12 << 1462339319.07422805 XC 3D grid (19887.78386s) stopped
T12 >> 1462339319.07427597 Poisson (4126.15483s) started
T12 << 1462339327.90054989 Poisson (4134.98110s) stopped
T12 >> 1462339327.90062189 Hartree integrate/restrict (261.58344s) started
T12 << 1462339327.94626188 Hartree integrate/restrict (261.62908s) stopped
T12 >> 1462339327.94630694 Hartree integrate/restrict (261.62911s) started
T12 << 1462339328.26218009 Hartree integrate/restrict (261.94498s) stopped
T12 >> 1462339328.26227999 Atomic (1679.15752s) started
T12 >> 1462339328.26409197 XC Correction (0.02336s) started
T12 << 1462339328.26411009 XC Correction (0.02338s) stopped
T12 << 1462339330.64173007 Atomic (1681.53697s) stopped
T12 >> 1462339330.64190793 Communicate (9079.87035s) started
T12 << 1462339348.20433998 Communicate (9097.43278s) stopped
T12 << 1462339348.20437908 Hamiltonian (35082.75858s) stopped
T12 >> 1462339348.20440412 LCAO eigensolver (49305.12300s) started
T12 >> 1462339348.20441604 Potential matrix (735.38773s) started
T12 << 1462339349.18854094 Potential matrix (736.37186s) stopped
T12 >> 1462339349.18861294 DistributedAtomicCorrection (311.25643s) started
T12 << 1462339349.64902711 DistributedAtomicCorrection (311.71684s) stopped
T12 >> 1462339349.64908600 Distribute overlap matrix (5724.02860s) started
T12 >> 1462339349.64910793 blocked summation (3196.22318s) started
T12 << 1462339354.34292102 blocked summation (3200.91700s) stopped
T12 >> 1462339354.35308504 Scalapack redistribute (2520.39886s) started
T12 << 1462339358.07273293 Scalapack redistribute (2524.11851s) stopped
T12 << 1462339358.07281804 Distribute overlap matrix (5732.45234s) stopped
T12 >> 1462339358.07686400 Blacs Orbital Layouts (41192.82729s) started
T12 >> 1462339358.08499599 General diagonalize (41029.39357s) started
T12 << 1462339415.45824695 General diagonalize (41086.76682s) stopped
T12 >> 1462339415.45829511 Redistribute coefs (6.28844s) started
T12 << 1462339415.46570706 Redistribute coefs (6.29585s) stopped
T12 >> 1462339415.46582389 Send coefs to domains (150.24168s) started
T12 << 1462339415.56825805 Send coefs to domains (150.34411s) stopped
T12 << 1462339415.56842589 Blacs Orbital Layouts (41250.31885s) stopped
T12 >> 1462339415.56845593 Calculate projections (1337.90765s) started
T12 << 1462339417.33521509 Calculate projections (1339.67441s) stopped
T12 << 1462339417.33558297 LCAO eigensolver (49374.25418s) stopped
T12 >> 1462339420.43694496 Density (11590.41247s) started
T12 >> 1462339420.43695998 Pseudo density (8934.98785s) started
T12 >> 1462339420.43867898 Calculate density matrix (8389.12053s) started
T12 << 1462339432.23938107 Calculate density matrix (8400.92124s) stopped
T12 >> 1462339432.23942900 Construct density (531.68272s) started
T12 << 1462339433.02488995 Construct density (532.46818s) stopped
T12 >> 1462339433.03882003 Symmetrize density (0.06001s) started
T12 << 1462339433.03888512 Symmetrize density (0.06007s) stopped
T12 << 1462339433.04085588 Pseudo density (8947.59174s) stopped
T12 >> 1462339433.04091311 Atomic density matrices (2345.23501s) started
T12 << 1462339436.50692511 Atomic density matrices (2348.70102s) stopped
T12 >> 1462339436.50695896 Multipole moments (8.78783s) started
T12 << 1462339436.52256489 Multipole moments (8.80344s) stopped
T12 >> 1462339436.52259302 Normalize (4.76443s) started
T12 << 1462339436.52888703 Normalize (4.77072s) stopped
T12 >> 1462339436.52893305 Mix (296.58142s) started
T12 << 1462339436.95564604 Mix (297.00813s) stopped
T12 << 1462339436.95569110 Density (11606.93121s) stopped
T12 >> 1462339436.95571494 Hamiltonian (35082.75859s) started
T12 >> 1462339436.95572996 vbar (18.80383s) started
T12 << 1462339436.97757697 vbar (18.82568s) stopped
T12 >> 1462339436.97770000 XC 3D grid (19887.78389s) started
T12 >> 1462339437.51063704 van der Waals (19207.57112s) started
T12 >> 1462339437.62022996 semilocal (4058.35863s) started
T12 << 1462339443.41910601 semilocal (4064.15751s) stopped
T12 >> 1462339443.49154401 redistribute (2063.98875s) started
T12 << 1462339444.46802807 redistribute (2064.96524s) stopped
T12 >> 1462339444.46807909 libvdwxc nonlocal (12951.19291s) started
T12 << 1462339463.10006809 libvdwxc nonlocal (12969.82490s) stopped
T12 >> 1462339463.10012698 redistribute (2064.96527s) started
T12 << 1462339464.79131103 redistribute (2066.65645s) stopped
T12 << 1462339464.79222894 van der Waals (19234.85271s) stopped
T12 << 1462339465.25616789 XC 3D grid (19916.06236s) stopped
T12 >> 1462339465.25623107 Poisson (4134.98115s) started
T12 << 1462339471.06986189 Poisson (4140.79478s) stopped
T12 >> 1462339471.06992292 Hartree integrate/restrict (261.94504s) started
T12 << 1462339471.11713696 Hartree integrate/restrict (261.99225s) stopped
T12 >> 1462339471.11719298 Hartree integrate/restrict (261.99228s) started
T12 << 1462339471.41745305 Hartree integrate/restrict (262.29254s) stopped
T12 >> 1462339471.41756201 Atomic (1681.53699s) started
T12 >> 1462339471.41944289 XC Correction (0.02339s) started
T12 << 1462339471.41946101 XC Correction (0.02341s) stopped
T12 << 1462339473.81754398 Atomic (1683.93698s) stopped
T12 >> 1462339473.81771398 Communicate (9097.43281s) started
T12 << 1462339490.79972911 Communicate (9114.41482s) stopped
T12 << 1462339490.79976511 Hamiltonian (35136.60264s) stopped
T12 >> 1462339490.79979396 LCAO eigensolver (49374.25420s) started
T12 >> 1462339490.79980707 Potential matrix (736.37190s) started
T12 << 1462339491.78370500 Potential matrix (737.35580s) stopped
T12 >> 1462339491.78379607 DistributedAtomicCorrection (311.71688s) started
T12 << 1462339492.23797488 DistributedAtomicCorrection (312.17106s) stopped
T12 >> 1462339492.23803210 Distribute overlap matrix (5732.45235s) started
T12 >> 1462339492.23805308 blocked summation (3200.91705s) started
T12 << 1462339496.87609506 blocked summation (3205.55509s) stopped
T12 >> 1462339496.88571000 Scalapack redistribute (2524.11857s) started
T12 << 1462339500.58820391 Scalapack redistribute (2527.82106s) stopped
T12 << 1462339500.58827090 Distribute overlap matrix (5740.80259s) stopped
T12 >> 1462339500.59330797 Blacs Orbital Layouts (41250.31887s) started
T12 >> 1462339500.60184693 General diagonalize (41086.76686s) started
T12 << 1462339557.06795502 General diagonalize (41143.23297s) stopped
T12 >> 1462339557.06800294 Redistribute coefs (6.29594s) started
T12 << 1462339557.07508802 Redistribute coefs (6.30303s) stopped
T12 >> 1462339557.07517791 Send coefs to domains (150.34415s) started
T12 << 1462339557.24860096 Send coefs to domains (150.51757s) stopped
T12 << 1462339557.24879003 Blacs Orbital Layouts (41306.97435s) stopped
T12 >> 1462339557.24882102 Calculate projections (1339.67446s) started
T12 << 1462339559.01477003 Calculate projections (1341.44041s) stopped
T12 << 1462339559.01495099 LCAO eigensolver (49442.46935s) stopped
T12 >> 1462339562.08996797 Density (11606.93123s) started
T12 >> 1462339562.08998299 Pseudo density (8947.59179s) started
T12 >> 1462339562.09168100 Calculate density matrix (8400.92127s) started
T12 << 1462339574.04792404 Calculate density matrix (8412.87752s) stopped
T12 >> 1462339574.04797411 Construct density (532.46823s) started
T12 << 1462339574.83160901 Construct density (533.25187s) stopped
T12 >> 1462339574.84568000 Symmetrize density (0.06009s) started
T12 << 1462339574.84573889 Symmetrize density (0.06015s) stopped
T12 << 1462339574.84771800 Pseudo density (8960.34952s) stopped
T12 >> 1462339574.84778190 Atomic density matrices (2348.70104s) started
T12 << 1462339578.39042497 Atomic density matrices (2352.24369s) stopped
T12 >> 1462339578.39045906 Multipole moments (8.80345s) started
T12 << 1462339578.40601707 Multipole moments (8.81901s) stopped
T12 >> 1462339578.40604496 Normalize (4.77076s) started
T12 << 1462339578.41222095 Normalize (4.77693s) stopped
T12 >> 1462339578.41229606 Mix (297.00818s) started
T12 << 1462339578.82052112 Mix (297.41640s) stopped
T12 << 1462339578.82056093 Density (11623.66182s) stopped
T12 >> 1462339578.82059002 Hamiltonian (35136.60266s) started
T12 >> 1462339578.82060599 vbar (18.82575s) started
T12 << 1462339578.84896708 vbar (18.85411s) stopped
T12 >> 1462339578.84905791 XC 3D grid (19916.06241s) started
T12 >> 1462339579.36119795 van der Waals (19234.85274s) started
T12 >> 1462339579.47349596 semilocal (4064.15757s) started
T12 << 1462339585.31857610 semilocal (4070.00265s) stopped
T12 >> 1462339585.39222598 redistribute (2066.65651s) started
T12 << 1462339586.38145304 redistribute (2067.64573s) stopped
T12 >> 1462339586.38149405 libvdwxc nonlocal (12969.82495s) started
T12 << 1462339604.49523091 libvdwxc nonlocal (12987.93868s) stopped
T12 >> 1462339604.49529290 redistribute (2067.64576s) started
T12 << 1462339606.21833491 redistribute (2069.36881s) stopped
T12 << 1462339606.21948290 van der Waals (19261.71103s) stopped
T12 << 1462339606.68429589 XC 3D grid (19943.89765s) stopped
T12 >> 1462339606.68433499 Poisson (4140.79483s) started
T12 << 1462339612.43511200 Poisson (4146.54560s) stopped
T12 >> 1462339612.43517494 Hartree integrate/restrict (262.29260s) started
T12 << 1462339612.48069406 Hartree integrate/restrict (262.33812s) stopped
T12 >> 1462339612.48074102 Hartree integrate/restrict (262.33815s) started
T12 << 1462339612.79997206 Hartree integrate/restrict (262.65738s) stopped
T12 >> 1462339612.80007005 Atomic (1683.93700s) started
T12 >> 1462339612.80185509 XC Correction (0.02342s) started
T12 << 1462339612.80187106 XC Correction (0.02344s) stopped
T12 << 1462339615.17646194 Atomic (1686.31339s) stopped
T12 >> 1462339615.17663097 Communicate (9114.41485s) started
T12 << 1462339632.19963789 Communicate (9131.43785s) stopped
T12 << 1462339632.19967699 Hamiltonian (35189.98174s) stopped
T12 >> 1462339632.19970202 LCAO eigensolver (49442.46937s) started
T12 >> 1462339632.19971490 Potential matrix (737.35585s) started
T12 << 1462339633.19095993 Potential matrix (738.34710s) stopped
T12 >> 1462339633.19103098 DistributedAtomicCorrection (312.17110s) started
T12 << 1462339633.64347506 DistributedAtomicCorrection (312.62354s) stopped
T12 >> 1462339633.64353299 Distribute overlap matrix (5740.80260s) started
T12 >> 1462339633.64355397 blocked summation (3205.55512s) started
T12 << 1462339638.45197892 blocked summation (3210.36355s) stopped
T12 >> 1462339638.46135402 Scalapack redistribute (2527.82110s) started
T12 << 1462339642.00884008 Scalapack redistribute (2531.36859s) stopped
T12 << 1462339642.00890708 Distribute overlap matrix (5749.16798s) stopped
T12 >> 1462339642.01302290 Blacs Orbital Layouts (41306.97437s) started
T12 >> 1462339642.02084208 General diagonalize (41143.23301s) started
T12 << 1462339698.66969609 General diagonalize (41199.88186s) stopped
T12 >> 1462339698.66974711 Redistribute coefs (6.30310s) started
T12 << 1462339698.67829895 Redistribute coefs (6.31166s) stopped
T12 >> 1462339698.67834401 Send coefs to domains (150.51760s) started
T12 << 1462339698.87143993 Send coefs to domains (150.71070s) stopped
T12 << 1462339698.87166405 Blacs Orbital Layouts (41363.83301s) stopped
T12 >> 1462339698.87169409 Calculate projections (1341.44047s) started
T12 << 1462339700.65122604 Calculate projections (1343.22000s) stopped
T12 << 1462339700.65146708 LCAO eigensolver (49510.92114s) stopped
T12 >> 1462339703.73603010 Density (11623.66183s) started
T12 >> 1462339703.73604703 Pseudo density (8960.34957s) started
T12 >> 1462339703.73850012 Calculate density matrix (8412.87755s) started
T12 << 1462339715.65931010 Calculate density matrix (8424.79836s) stopped
T12 >> 1462339715.65936708 Construct density (533.25192s) started
T12 << 1462339716.44590306 Construct density (534.03846s) stopped
T12 >> 1462339716.46248198 Symmetrize density (0.06016s) started
T12 << 1462339716.46254706 Symmetrize density (0.06023s) stopped
T12 << 1462339716.46505690 Pseudo density (8973.07858s) stopped
T12 >> 1462339716.46512604 Atomic density matrices (2352.24371s) started
T12 << 1462339719.97557712 Atomic density matrices (2355.75416s) stopped
T12 >> 1462339719.97561502 Multipole moments (8.81903s) started
T12 << 1462339719.99118900 Multipole moments (8.83460s) stopped
T12 >> 1462339719.99122095 Normalize (4.77699s) started
T12 << 1462339719.99811506 Normalize (4.78388s) stopped
T12 >> 1462339719.99815989 Mix (297.41644s) started
T12 << 1462339720.42958212 Mix (297.84786s) stopped
T12 << 1462339720.42964602 Density (11640.35545s) stopped
T12 >> 1462339720.42967701 Hamiltonian (35189.98176s) started
T12 >> 1462339720.42969203 vbar (18.85417s) started
T12 << 1462339720.45139599 vbar (18.87587s) stopped
T12 >> 1462339720.45149302 XC 3D grid (19943.89768s) started
T12 >> 1462339720.94882989 van der Waals (19261.71106s) started
T12 >> 1462339721.06420398 semilocal (4070.00277s) started
T12 << 1462339726.83774900 semilocal (4075.77632s) stopped
T12 >> 1462339726.91147900 redistribute (2069.36886s) started
T12 << 1462339727.90960407 redistribute (2070.36699s) stopped
T12 >> 1462339727.90966797 libvdwxc nonlocal (12987.93873s) started
T12 << 1462339745.90445900 libvdwxc nonlocal (13005.93352s) stopped
T12 >> 1462339745.90451097 redistribute (2070.36703s) started
T12 << 1462339747.89981008 redistribute (2072.36233s) stopped
T12 << 1462339747.90093398 van der Waals (19288.66316s) stopped
T12 << 1462339748.37042308 XC 3D grid (19971.81661s) stopped
T12 >> 1462339748.37047291 Poisson (4146.54565s) started
T12 << 1462339752.70146489 Poisson (4150.87664s) stopped
T12 >> 1462339752.70155907 Hartree integrate/restrict (262.65744s) started
T12 << 1462339752.74701595 Hartree integrate/restrict (262.70289s) stopped
T12 >> 1462339752.74705696 Hartree integrate/restrict (262.70292s) started
T12 << 1462339753.09506798 Hartree integrate/restrict (263.05093s) stopped
T12 >> 1462339753.09514189 Atomic (1686.31341s) started
T12 >> 1462339753.09692311 XC Correction (0.02345s) started
T12 << 1462339753.09694004 XC Correction (0.02347s) stopped
T12 << 1462339755.44279289 Atomic (1688.66106s) stopped
T12 >> 1462339755.44295907 Communicate (9131.43788s) started
T12 << 1462339772.49777389 Communicate (9148.49269s) stopped
T12 << 1462339772.49781299 Hamiltonian (35242.04989s) stopped
T12 >> 1462339772.49783802 LCAO eigensolver (49510.92116s) started
T12 >> 1462339772.49785209 Potential matrix (738.34714s) started
T12 << 1462339773.47589302 Potential matrix (739.32518s) stopped
T12 >> 1462339773.47596192 DistributedAtomicCorrection (312.62358s) started
T12 << 1462339773.93088293 DistributedAtomicCorrection (313.07850s) stopped
T12 >> 1462339773.93094301 Distribute overlap matrix (5749.16799s) started
T12 >> 1462339773.93096399 blocked summation (3210.36358s) started
T12 << 1462339778.65473104 blocked summation (3215.08734s) stopped
T12 >> 1462339778.66450191 Scalapack redistribute (2531.36862s) started
T12 << 1462339782.35735512 Scalapack redistribute (2535.06148s) stopped
T12 << 1462339782.35744500 Distribute overlap matrix (5757.59449s) stopped
T12 >> 1462339782.36149192 Blacs Orbital Layouts (41363.83303s) started
T12 >> 1462339782.36923790 General diagonalize (41199.88190s) started
T12 << 1462339836.27994895 General diagonalize (41253.79261s) stopped
T12 >> 1462339836.28002095 Redistribute coefs (6.31169s) started
T12 << 1462339836.28746605 Redistribute coefs (6.31914s) stopped
T12 >> 1462339836.28754592 Send coefs to domains (150.71074s) started
T12 << 1462339836.39416504 Send coefs to domains (150.81736s) stopped
T12 << 1462339836.39434695 Blacs Orbital Layouts (41417.86588s) stopped
T12 >> 1462339836.39437699 Calculate projections (1343.22005s) started
T12 << 1462339838.16232800 Calculate projections (1344.98800s) stopped
T12 << 1462339838.16251206 LCAO eigensolver (49576.58583s) stopped
T12 >> 1462339841.25099707 Density (11640.35546s) started
T12 >> 1462339841.25101209 Pseudo density (8973.07864s) started
T12 >> 1462339841.25283599 Calculate density matrix (8424.79840s) started
T12 << 1462339853.18089294 Calculate density matrix (8436.72645s) stopped
T12 >> 1462339853.18094206 Construct density (534.03852s) started
T12 << 1462339853.96534896 Construct density (534.82292s) stopped
T12 >> 1462339853.97956491 Symmetrize density (0.06025s) started
T12 << 1462339853.97962308 Symmetrize density (0.06030s) stopped
T12 << 1462339853.98169589 Pseudo density (8985.80932s) stopped
T12 >> 1462339853.98175097 Atomic density matrices (2355.75419s) started
T12 << 1462339857.49622703 Atomic density matrices (2359.26866s) stopped
T12 >> 1462339857.49625993 Multipole moments (8.83462s) started
T12 << 1462339857.51253009 Multipole moments (8.85089s) stopped
T12 >> 1462339857.51258302 Normalize (4.78392s) started
T12 << 1462339857.51880789 Normalize (4.79014s) stopped
T12 >> 1462339857.51888800 Mix (297.84793s) started
T12 << 1462339857.92904091 Mix (298.25808s) stopped
T12 << 1462339857.92913604 Density (11657.03360s) stopped
T12 >> 1462339857.92917705 Hamiltonian (35242.04991s) started
T12 >> 1462339857.92919493 vbar (18.87592s) started
T12 << 1462339857.96050811 vbar (18.90724s) stopped
T12 >> 1462339857.96061993 XC 3D grid (19971.81665s) started
T12 >> 1462339858.48009491 van der Waals (19288.66319s) started
T12 >> 1462339858.59085011 semilocal (4075.77641s) started
T12 << 1462339864.35928607 semilocal (4081.54485s) stopped
T12 >> 1462339864.43923593 redistribute (2072.36239s) started
T12 << 1462339865.45173597 redistribute (2073.37489s) stopped
T12 >> 1462339865.45177794 libvdwxc nonlocal (13005.93356s) started
T12 << 1462339883.79581499 libvdwxc nonlocal (13024.27760s) stopped
T12 >> 1462339883.79587793 redistribute (2073.37492s) started
T12 << 1462339885.52357507 redistribute (2075.10262s) stopped
T12 << 1462339885.52471805 van der Waals (19315.70781s) stopped
T12 << 1462339885.98955488 XC 3D grid (19999.84559s) stopped
T12 >> 1462339885.98960805 Poisson (4150.87671s) started
T12 << 1462339890.36113691 Poisson (4155.24824s) stopped
T12 >> 1462339890.36124492 Hartree integrate/restrict (263.05096s) started
T12 << 1462339890.41228390 Hartree integrate/restrict (263.10200s) stopped
T12 >> 1462339890.41234207 Hartree integrate/restrict (263.10204s) started
T12 << 1462339890.73311901 Hartree integrate/restrict (263.42281s) stopped
T12 >> 1462339890.73321104 Atomic (1688.66109s) started
T12 >> 1462339890.73498797 XC Correction (0.02348s) started
T12 << 1462339890.73500204 XC Correction (0.02349s) stopped
T12 << 1462339893.11238098 Atomic (1691.04026s) stopped
T12 >> 1462339893.11254191 Communicate (9148.49272s) started
T12 << 1462339910.30957389 Communicate (9165.68975s) stopped
T12 << 1462339910.30961204 Hamiltonian (35294.43034s) stopped
T12 >> 1462339910.30963707 LCAO eigensolver (49576.58585s) started
T12 >> 1462339910.30964994 Potential matrix (739.32522s) started
T12 << 1462339911.29049206 Potential matrix (740.30607s) stopped
T12 >> 1462339911.29056191 DistributedAtomicCorrection (313.07854s) started
T12 << 1462339911.74260402 DistributedAtomicCorrection (313.53059s) stopped
T12 >> 1462339911.74266005 Distribute overlap matrix (5757.59450s) started
T12 >> 1462339911.74268198 blocked summation (3215.08737s) started
T12 << 1462339916.46023893 blocked summation (3219.80493s) stopped
T12 >> 1462339916.46915698 Scalapack redistribute (2535.06153s) started
T12 << 1462339920.23174095 Scalapack redistribute (2538.82412s) stopped
T12 << 1462339920.23182201 Distribute overlap matrix (5766.08366s) stopped
T12 >> 1462339920.23614311 Blacs Orbital Layouts (41417.86590s) started
T12 >> 1462339920.24406791 General diagonalize (41253.79268s) started
T12 << 1462339976.40771699 General diagonalize (41309.95632s) stopped
T12 >> 1462339976.40780902 Redistribute coefs (6.31920s) started
T12 << 1462339976.41569400 Redistribute coefs (6.32709s) stopped
T12 >> 1462339976.41576910 Send coefs to domains (150.81739s) started
T12 << 1462339976.69305706 Send coefs to domains (151.09468s) stopped
T12 << 1462339976.69325900 Blacs Orbital Layouts (41474.32302s) stopped
T12 >> 1462339976.69329095 Calculate projections (1344.98805s) started
T12 << 1462339978.46132708 Calculate projections (1346.75609s) stopped
T12 << 1462339978.46151710 LCAO eigensolver (49644.73773s) stopped
T12 >> 1462339981.55566597 Density (11657.03362s) started
T12 >> 1462339981.55568099 Pseudo density (8985.80937s) started
T12 >> 1462339981.55758405 Calculate density matrix (8436.72649s) started
T12 << 1462339993.38110209 Calculate density matrix (8448.55001s) stopped
T12 >> 1462339993.38115001 Construct density (534.82297s) started
T12 << 1462339994.16704893 Construct density (535.60887s) stopped
T12 >> 1462339994.18123388 Symmetrize density (0.06032s) started
T12 << 1462339994.18130207 Symmetrize density (0.06039s) stopped
T12 << 1462339994.18338299 Pseudo density (8998.43707s) stopped
T12 >> 1462339994.18343997 Atomic density matrices (2359.26869s) started
T12 << 1462339997.67000198 Atomic density matrices (2362.75525s) stopped
T12 >> 1462339997.67003489 Multipole moments (8.85093s) started
T12 << 1462339997.68562102 Multipole moments (8.86652s) stopped
T12 >> 1462339997.68565011 Normalize (4.79020s) started
T12 << 1462339997.69201708 Normalize (4.79657s) stopped
T12 >> 1462339997.69207001 Mix (298.25817s) started
T12 << 1462339998.10439205 Mix (298.67049s) stopped
T12 << 1462339998.10444307 Density (11673.58240s) stopped
T12 >> 1462339998.10447001 Hamiltonian (35294.43036s) started
T12 >> 1462339998.10448408 vbar (18.90730s) started
T12 << 1462339998.12595391 vbar (18.92877s) stopped
T12 >> 1462339998.12609506 XC 3D grid (19999.84563s) started
T12 >> 1462339998.62652111 van der Waals (19315.70784s) started
T12 >> 1462339998.73594904 semilocal (4081.54492s) started
T12 << 1462340004.52641106 semilocal (4087.33538s) stopped
T12 >> 1462340004.60982394 redistribute (2075.10267s) started
T12 << 1462340005.59939790 redistribute (2076.09225s) stopped
T12 >> 1462340005.59944010 libvdwxc nonlocal (13024.27764s) started
T12 << 1462340023.99313307 libvdwxc nonlocal (13042.67134s) stopped
T12 >> 1462340023.99319196 redistribute (2076.09228s) started
T12 << 1462340025.69670200 redistribute (2077.79579s) stopped
T12 << 1462340025.69767594 van der Waals (19342.77899s) stopped
T12 << 1462340026.16547990 XC 3D grid (20027.88501s) stopped
T12 >> 1462340026.16554499 Poisson (4155.24832s) started
T12 << 1462340030.53890300 Poisson (4159.62168s) stopped
T12 >> 1462340030.53904200 Hartree integrate/restrict (263.42286s) started
T12 << 1462340030.58289695 Hartree integrate/restrict (263.46672s) stopped
T12 >> 1462340030.58297801 Hartree integrate/restrict (263.46677s) started
T12 << 1462340030.89626288 Hartree integrate/restrict (263.78006s) stopped
T12 >> 1462340030.89635801 Atomic (1691.04028s) started
T12 >> 1462340030.89820790 XC Correction (0.02350s) started
T12 << 1462340030.89822197 XC Correction (0.02352s) stopped
T12 << 1462340033.27924609 Atomic (1693.42317s) stopped
T12 >> 1462340033.27940702 Communicate (9165.68978s) started
T12 << 1462340050.46578503 Communicate (9182.87616s) stopped
T12 << 1462340050.46582603 Hamiltonian (35346.79171s) stopped
T12 >> 1462340050.46585107 LCAO eigensolver (49644.73775s) started
T12 >> 1462340050.46586394 Potential matrix (740.30611s) started
T12 << 1462340051.44975805 Potential matrix (741.29000s) stopped
T12 >> 1462340051.44983411 DistributedAtomicCorrection (313.53062s) started
T12 << 1462340051.91149592 DistributedAtomicCorrection (313.99229s) stopped
T12 >> 1462340051.91155005 Distribute overlap matrix (5766.08368s) started
T12 >> 1462340051.91157293 blocked summation (3219.80496s) started
T12 << 1462340056.51535892 blocked summation (3224.40875s) stopped
T12 >> 1462340056.52574301 Scalapack redistribute (2538.82417s) started
T12 << 1462340060.30430198 Scalapack redistribute (2542.60273s) stopped
T12 << 1462340060.30440211 Distribute overlap matrix (5774.47653s) stopped
T12 >> 1462340060.30827403 Blacs Orbital Layouts (41474.32304s) started
T12 >> 1462340060.31613207 General diagonalize (41309.95640s) started
T12 << 1462340114.78075099 General diagonalize (41364.42102s) stopped
T12 >> 1462340114.78079796 Redistribute coefs (6.32715s) started
T12 << 1462340114.78822494 Redistribute coefs (6.33458s) stopped
T12 >> 1462340114.78830504 Send coefs to domains (151.09471s) started
T12 << 1462340114.90025806 Send coefs to domains (151.20666s) stopped
T12 << 1462340114.90053701 Blacs Orbital Layouts (41528.91530s) stopped
T12 >> 1462340114.90056705 Calculate projections (1346.75614s) started
T12 << 1462340116.66773200 Calculate projections (1348.52331s) stopped
T12 << 1462340116.66792011 LCAO eigensolver (49710.93982s) stopped
T12 >> 1462340119.76329899 Density (11673.58241s) started
T12 >> 1462340119.76331401 Pseudo density (8998.43711s) started
T12 >> 1462340119.76509404 Calculate density matrix (8448.55004s) started
T12 << 1462340131.71616697 Calculate density matrix (8460.50112s) stopped
T12 >> 1462340131.71621299 Construct density (535.60892s) started
T12 << 1462340132.50079012 Construct density (536.39350s) stopped
T12 >> 1462340132.51494503 Symmetrize density (0.06041s) started
T12 << 1462340132.51500893 Symmetrize density (0.06047s) stopped
T12 << 1462340132.51706600 Pseudo density (9011.19087s) stopped
T12 >> 1462340132.51711893 Atomic density matrices (2362.75527s) started
T12 << 1462340135.92655802 Atomic density matrices (2366.16471s) stopped
T12 >> 1462340135.92659211 Multipole moments (8.86653s) started
T12 << 1462340135.94176698 Multipole moments (8.88171s) stopped
T12 >> 1462340135.94179702 Normalize (4.79661s) started
T12 << 1462340135.94809604 Normalize (4.80291s) stopped
T12 >> 1462340135.94817305 Mix (298.67055s) started
T12 << 1462340136.53000212 Mix (299.25237s) stopped
T12 << 1462340136.53004408 Density (11690.34916s) stopped
T12 >> 1462340136.53007698 Hamiltonian (35346.79172s) started
T12 >> 1462340136.53009391 vbar (18.92885s) started
T12 << 1462340136.55373311 vbar (18.95249s) stopped
T12 >> 1462340136.55380297 XC 3D grid (20027.88507s) started
T12 >> 1462340136.98586988 van der Waals (19342.77902s) started
T12 >> 1462340137.10007191 semilocal (4087.33549s) started
T12 << 1462340142.90088892 semilocal (4093.13630s) stopped
T12 >> 1462340142.97592306 redistribute (2077.79585s) started
T12 << 1462340143.98460793 redistribute (2078.80453s) stopped
T12 >> 1462340143.98467112 libvdwxc nonlocal (13042.67138s) started
T12 << 1462340162.15209293 libvdwxc nonlocal (13060.83881s) stopped
T12 >> 1462340162.15217209 redistribute (2078.80457s) started
T12 << 1462340164.12866902 redistribute (2080.78107s) stopped
T12 << 1462340164.12952709 van der Waals (19369.92268s) stopped
T12 << 1462340164.59476209 XC 3D grid (20055.92603s) stopped
T12 >> 1462340164.59482789 Poisson (4159.62179s) started
T12 << 1462340167.57894397 Poisson (4162.60591s) stopped
T12 >> 1462340167.57911801 Hartree integrate/restrict (263.78011s) started
T12 << 1462340167.62090898 Hartree integrate/restrict (263.82190s) stopped
T12 >> 1462340167.62106705 Hartree integrate/restrict (263.82201s) started
T12 << 1462340167.95019794 Hartree integrate/restrict (264.15114s) stopped
T12 >> 1462340167.95030594 Atomic (1693.42319s) started
T12 >> 1462340167.95225501 XC Correction (0.02353s) started
T12 << 1462340167.95227289 XC Correction (0.02355s) stopped
T12 << 1462340170.33634210 Atomic (1695.80923s) stopped
T12 >> 1462340170.33652091 Communicate (9182.87618s) started
T12 << 1462340187.66598606 Communicate (9200.20565s) stopped
T12 << 1462340187.66602802 Hamiltonian (35397.92768s) stopped
T12 >> 1462340187.66605711 LCAO eigensolver (49710.93983s) started
T12 >> 1462340187.66606998 Potential matrix (741.29005s) started
T12 << 1462340188.64586997 Potential matrix (742.26985s) stopped
T12 >> 1462340188.64596605 DistributedAtomicCorrection (313.99232s) started
T12 << 1462340189.11034608 DistributedAtomicCorrection (314.45670s) stopped
T12 >> 1462340189.11040592 Distribute overlap matrix (5774.47654s) started
T12 >> 1462340189.11043096 blocked summation (3224.40880s) started
T12 << 1462340193.82791400 blocked summation (3229.12628s) stopped
T12 >> 1462340193.83690810 Scalapack redistribute (2542.60279s) started
T12 << 1462340197.52200890 Scalapack redistribute (2546.28789s) stopped
T12 << 1462340197.52212691 Distribute overlap matrix (5782.88826s) stopped
T12 >> 1462340197.52673101 Blacs Orbital Layouts (41528.91532s) started
T12 >> 1462340197.53484297 General diagonalize (41364.42106s) started
T12 << 1462340254.22793794 General diagonalize (41421.11415s) stopped
T12 >> 1462340254.22799110 Redistribute coefs (6.33464s) started
T12 << 1462340254.23584294 Redistribute coefs (6.34249s) stopped
T12 >> 1462340254.23591304 Send coefs to domains (151.20670s) started
T12 << 1462340254.34454894 Send coefs to domains (151.31533s) stopped
T12 << 1462340254.34471107 Blacs Orbital Layouts (41585.73330s) stopped
T12 >> 1462340254.34474397 Calculate projections (1348.52335s) started
T12 << 1462340256.12664604 Calculate projections (1350.30526s) stopped
T12 << 1462340256.12685108 LCAO eigensolver (49779.40063s) stopped
T12 >> 1462340259.20720696 Density (11690.34917s) started
T12 >> 1462340259.20722294 Pseudo density (9011.19091s) started
T12 >> 1462340259.20967507 Calculate density matrix (8460.50115s) started
T12 << 1462340271.10487604 Calculate density matrix (8472.39635s) stopped
T12 >> 1462340271.10493112 Construct density (536.39355s) started
T12 << 1462340271.89144707 Construct density (537.18007s) stopped
T12 >> 1462340271.90788198 Symmetrize density (0.06049s) started
T12 << 1462340271.90795803 Symmetrize density (0.06056s) stopped
T12 << 1462340271.91041708 Pseudo density (9023.89410s) stopped
T12 >> 1462340271.91048503 Atomic density matrices (2366.16474s) started
T12 << 1462340275.38469505 Atomic density matrices (2369.63895s) stopped
T12 >> 1462340275.38473296 Multipole moments (8.88173s) started
T12 << 1462340275.39972901 Multipole moments (8.89672s) stopped
T12 >> 1462340275.39976001 Normalize (4.80296s) started
T12 << 1462340275.40667009 Normalize (4.80987s) stopped
T12 >> 1462340275.40671396 Mix (299.25242s) started
T12 << 1462340275.84451890 Mix (299.69022s) stopped
T12 << 1462340275.84458399 Density (11706.98655s) stopped
T12 >> 1462340275.84461403 Hamiltonian (35397.92769s) started
T12 >> 1462340275.84463096 vbar (18.95253s) started
T12 << 1462340275.87445092 vbar (18.98235s) stopped
T12 >> 1462340275.87461495 XC 3D grid (20055.92608s) started
T12 >> 1462340276.35350299 van der Waals (19369.92270s) started
T12 >> 1462340276.46756196 semilocal (4093.13638s) started
T12 << 1462340282.21040010 semilocal (4098.87922s) stopped
T12 >> 1462340282.28349710 redistribute (2080.78114s) started
T12 << 1462340283.31212211 redistribute (2081.80976s) stopped
T12 >> 1462340283.31218600 libvdwxc nonlocal (13060.83887s) started
T12 << 1462340301.69536805 libvdwxc nonlocal (13079.22205s) stopped
T12 >> 1462340301.69544506 redistribute (2081.80980s) started
T12 << 1462340303.76664400 redistribute (2083.88100s) stopped
T12 << 1462340303.76779509 van der Waals (19397.33699s) stopped
T12 << 1462340304.23356605 XC 3D grid (20084.28503s) stopped
T12 >> 1462340304.23361611 Poisson (4162.60604s) started
T12 << 1462340307.26561093 Poisson (4165.63803s) stopped
T12 >> 1462340307.26570797 Hartree integrate/restrict (264.15119s) started
T12 << 1462340307.30689502 Hartree integrate/restrict (264.19238s) stopped
T12 >> 1462340307.30705500 Hartree integrate/restrict (264.19249s) started
T12 << 1462340307.64747000 Hartree integrate/restrict (264.53290s) stopped
T12 >> 1462340307.64758301 Atomic (1695.80925s) started
T12 >> 1462340307.64959788 XC Correction (0.02356s) started
T12 << 1462340307.64961290 XC Correction (0.02357s) stopped
T12 << 1462340310.02987409 Atomic (1698.19154s) stopped
T12 >> 1462340310.03005290 Communicate (9200.20568s) started
T12 << 1462340327.36200309 Communicate (9217.53763s) stopped
T12 << 1462340327.36204696 Hamiltonian (35449.44512s) stopped
T12 >> 1462340327.36207509 LCAO eigensolver (49779.40065s) started
T12 >> 1462340327.36208797 Potential matrix (742.26990s) started
T12 << 1462340328.34013796 Potential matrix (743.24795s) stopped
T12 >> 1462340328.34021997 DistributedAtomicCorrection (314.45674s) started
T12 << 1462340328.81338811 DistributedAtomicCorrection (314.92991s) stopped
T12 >> 1462340328.81345105 Distribute overlap matrix (5782.88827s) started
T12 >> 1462340328.81347609 blocked summation (3229.12632s) started
T12 << 1462340333.51815200 blocked summation (3233.83099s) stopped
T12 >> 1462340333.52770901 Scalapack redistribute (2546.28797s) started
T12 << 1462340337.20565510 Scalapack redistribute (2549.96591s) stopped
T12 << 1462340337.20574498 Distribute overlap matrix (5791.28057s) stopped
T12 >> 1462340337.21013904 Blacs Orbital Layouts (41585.73332s) started
T12 >> 1462340337.21836591 General diagonalize (41421.11419s) started
T12 << 1462340393.13115001 General diagonalize (41477.02698s) stopped
T12 >> 1462340393.13119602 Redistribute coefs (6.34255s) started
T12 << 1462340393.13865900 Redistribute coefs (6.35001s) stopped
T12 >> 1462340393.13876891 Send coefs to domains (151.31537s) started
T12 << 1462340393.39996409 Send coefs to domains (151.57656s) stopped
T12 << 1462340393.40026593 Blacs Orbital Layouts (41641.92345s) stopped
T12 >> 1462340393.40029907 Calculate projections (1350.30531s) started
T12 << 1462340395.17399597 Calculate projections (1352.07901s) stopped
T12 << 1462340395.17422891 LCAO eigensolver (49847.21280s) stopped
T12 >> 1462340398.26373911 Density (11706.98656s) started
T12 >> 1462340398.26375389 Pseudo density (9023.89416s) started
T12 >> 1462340398.26547408 Calculate density matrix (8472.39639s) started
T12 << 1462340410.54000592 Calculate density matrix (8484.67092s) stopped
T12 >> 1462340410.54005504 Construct density (537.18013s) started
T12 << 1462340411.32455802 Construct density (537.96463s) stopped
T12 >> 1462340411.33857894 Symmetrize density (0.06058s) started
T12 << 1462340411.33864403 Symmetrize density (0.06065s) stopped
T12 << 1462340411.34071803 Pseudo density (9036.97112s) stopped
T12 >> 1462340411.34078002 Atomic density matrices (2369.63898s) started
T12 << 1462340414.81723499 Atomic density matrices (2373.11543s) stopped
T12 >> 1462340414.81726909 Multipole moments (8.89674s) started
T12 << 1462340414.83294511 Multipole moments (8.91242s) stopped
T12 >> 1462340414.83297396 Normalize (4.80990s) started
T12 << 1462340414.83924294 Normalize (4.81617s) stopped
T12 >> 1462340414.83929396 Mix (299.69028s) started
T12 << 1462340415.28874302 Mix (300.13973s) stopped
T12 << 1462340415.28883100 Density (11724.01165s) stopped
T12 >> 1462340415.28886199 Hamiltonian (35449.44514s) started
T12 >> 1462340415.28887796 vbar (18.98243s) started
T12 << 1462340415.31083107 vbar (19.00438s) stopped
T12 >> 1462340415.31094003 XC 3D grid (20084.28506s) started
T12 >> 1462340415.82566094 van der Waals (19397.33702s) started
T12 >> 1462340415.93757296 semilocal (4098.87927s) started
T12 << 1462340421.75315809 semilocal (4104.69486s) stopped
T12 >> 1462340421.82624197 redistribute (2083.88107s) started
T12 << 1462340422.79514909 redistribute (2084.84997s) stopped
T12 >> 1462340422.79519105 libvdwxc nonlocal (13079.22211s) started
T12 << 1462340441.90885901 libvdwxc nonlocal (13098.33577s) stopped
T12 >> 1462340441.90891910 redistribute (2084.85001s) started
T12 << 1462340443.59030700 redistribute (2086.53139s) stopped
T12 << 1462340443.59116507 van der Waals (19425.10252s) stopped
T12 << 1462340444.06017494 XC 3D grid (20113.03430s) stopped
T12 >> 1462340444.06025195 Poisson (4165.63810s) started
T12 << 1462340446.99092197 Poisson (4168.56877s) stopped
T12 >> 1462340446.99100709 Hartree integrate/restrict (264.53296s) started
T12 << 1462340447.04022408 Hartree integrate/restrict (264.58218s) stopped
T12 >> 1462340447.04027510 Hartree integrate/restrict (264.58221s) started
T12 << 1462340447.35773110 Hartree integrate/restrict (264.89966s) stopped
T12 >> 1462340447.35783100 Atomic (1698.19157s) started
T12 >> 1462340447.35955596 XC Correction (0.02358s) started
T12 << 1462340447.35957193 XC Correction (0.02360s) stopped
T12 << 1462340449.73730493 Atomic (1700.57104s) stopped
T12 >> 1462340449.73745394 Communicate (9217.53765s) started
T12 << 1462340467.10929298 Communicate (9234.90949s) stopped
T12 << 1462340467.10932994 Hamiltonian (35501.26560s) stopped
T12 >> 1462340467.10935402 LCAO eigensolver (49847.21282s) started
T12 >> 1462340467.10936689 Potential matrix (743.24800s) started
T12 << 1462340468.09392190 Potential matrix (744.23255s) stopped
T12 >> 1462340468.09399605 DistributedAtomicCorrection (314.92995s) started
T12 << 1462340468.55378199 DistributedAtomicCorrection (315.38973s) stopped
T12 >> 1462340468.55383897 Distribute overlap matrix (5791.28058s) started
T12 >> 1462340468.55385995 blocked summation (3233.83105s) started
T12 << 1462340473.19425797 blocked summation (3238.47144s) stopped
T12 >> 1462340473.20325208 Scalapack redistribute (2549.96596s) started
T12 << 1462340476.92456889 Scalapack redistribute (2553.68728s) stopped
T12 << 1462340476.92463803 Distribute overlap matrix (5799.65138s) stopped
T12 >> 1462340476.92952800 Blacs Orbital Layouts (41641.92347s) started
T12 >> 1462340476.93764591 General diagonalize (41477.02702s) started
T12 << 1462340530.52507305 General diagonalize (41530.61444s) stopped
T12 >> 1462340530.52515197 Redistribute coefs (6.35011s) started
T12 << 1462340530.53289294 Redistribute coefs (6.35785s) stopped
T12 >> 1462340530.53297901 Send coefs to domains (151.57659s) started
T12 << 1462340530.87599397 Send coefs to domains (151.91961s) stopped
T12 << 1462340530.87616301 Blacs Orbital Layouts (41695.87010s) stopped
T12 >> 1462340530.87619400 Calculate projections (1352.07905s) started
T12 << 1462340532.64990997 Calculate projections (1353.85277s) stopped
T12 << 1462340532.65009093 LCAO eigensolver (49912.75356s) stopped
T12 << 1462340535.74512601 SCF-cycle (99568.99118s) stopped
T12 >> 1462340537.78204489 Force calculation (4656.80181s) started
T12 >> 1462340537.78213501 LCAO forces (4606.36696s) started
T12 >> 1462340537.78250003 Initial (0.00134s) started
T12 << 1462340537.78251100 Initial (0.00135s) stopped
T12 >> 1462340537.78929090 Get density matrix (2398.09779s) started
T12 << 1462340546.93804693 Get density matrix (2407.24655s) stopped
T12 >> 1462340546.93808889 Potential (362.88955s) started
T12 << 1462340553.22147894 Potential (369.17294s) stopped
T12 >> 1462340553.22153807 Get density matrix (2407.24658s) started
T12 << 1462340584.79641891 Get density matrix (2438.82146s) stopped
T12 >> 1462340584.79651594 Prepare TCI loop (128.76216s) started
T12 >> 1462340584.79700303 Get neighbors (115.10303s) started
T12 << 1462340586.75948501 Get neighbors (117.06552s) stopped
T12 >> 1462340586.75980496 broadcast dH (13.58953s) started
T12 << 1462340587.11728692 broadcast dH (13.94701s) stopped
T12 << 1462340587.11733103 Prepare TCI loop (131.08298s) stopped
T12 >> 1462340587.11735010 Not so complicated loop (7.04291s) started
T12 << 1462340587.23553205 Not so complicated loop (7.16109s) stopped
T12 >> 1462340587.35104990 Complicated loop (1114.87658s) started
T12 << 1462340606.89080000 Complicated loop (1134.41633s) stopped
T12 >> 1462340606.89209199 Wait for sum (587.11116s) started
T12 << 1462340618.03136706 Wait for sum (598.25043s) stopped
T12 << 1462340618.03140211 LCAO forces (4686.61623s) stopped
T12 << 1462340618.89638805 Force calculation (4737.91616s) stopped
T12 >> 1462340618.91414690 Initialization (7782.77384s) started
T12 << 1462340618.91432190 Initialization (7782.77402s) stopped
T12 >> 1462340618.91455102 Initialization (7782.77403s) started
T12 << 1462340618.91469312 Initialization (7782.77418s) stopped
T12 >> 1462340618.91484189 Initialization (7782.77419s) started
T12 << 1462340618.91497898 Initialization (7782.77433s) stopped
T12 >> 1462340639.28083301 Initialization (7782.77435s) started
T12 >> 1462340639.38741994 Basic WFS set positions (5.31269s) started
T12 >> 1462340639.38744092 Redistribute (0.01560s) started
T12 << 1462340639.38756800 Redistribute (0.01573s) stopped
T12 << 1462340639.47779703 Basic WFS set positions (5.40307s) stopped
T12 >> 1462340639.47785807 Basis functions set positions (111.69969s) started
T12 << 1462340641.47168803 Basis functions set positions (113.69352s) stopped
T12 >> 1462340641.47223902 TCI: Calculate S, T, P (924.30762s) started
T12 << 1462340657.56917310 TCI: Calculate S, T, P (940.40456s) stopped
T12 >> 1462340657.56922698 blocked summation (1512.02905s) started
T12 << 1462340689.44211793 blocked summation (1543.90194s) stopped
T12 >> 1462340689.45130992 Scalapack redistribute (550.32206s) started
T12 << 1462340700.09884596 Scalapack redistribute (560.96960s) stopped
T12 >> 1462340700.09992194 blocked summation (1543.90197s) started
T12 << 1462340701.12303901 blocked summation (1544.92509s) stopped
T12 >> 1462340701.13181090 Scalapack redistribute (560.96966s) started
T12 << 1462340701.34032106 Scalapack redistribute (561.17817s) stopped
T12 >> 1462340701.34219790 Redistribute (0.11879s) started
T12 << 1462340701.34272099 Redistribute (0.11931s) stopped
T12 >> 1462340703.10948610 Redistribute (0.11933s) started
T12 << 1462340703.10997605 Redistribute (0.11982s) stopped
T12 >> 1462340703.12443209 LCAO WFS Initialize (4561.26900s) started
T12 >> 1462340703.12447190 Density initialize from wavefunctions (861.27614s) started
T12 >> 1462340703.13038492 Calculate density matrix (594.54347s) started
T12 << 1462340712.96043491 Calculate density matrix (604.37352s) stopped
T12 >> 1462340712.96048403 Construct density (45.46959s) started
T12 << 1462340713.74414706 Construct density (46.25325s) stopped
T12 >> 1462340713.75861406 Symmetrize density (0.00496s) started
T12 << 1462340713.75868297 Symmetrize density (0.00503s) stopped
T12 << 1462340717.53251100 Density initialize from wavefunctions (875.68418s) stopped
T12 >> 1462340717.53275490 Hamiltonian (3699.05996s) started
T12 >> 1462340717.53277993 vbar (1.69814s) started
T12 << 1462340717.56394601 vbar (1.72930s) stopped
T12 >> 1462340717.56407595 XC 3D grid (1736.55757s) started
T12 >> 1462340718.05781198 van der Waals (1677.47258s) started
T12 >> 1462340718.16443896 semilocal (353.25383s) started
T12 << 1462340723.94170594 semilocal (359.03110s) stopped
T12 >> 1462340724.01174593 redistribute (190.25671s) started
T12 << 1462340725.00674105 redistribute (191.25171s) stopped
T12 >> 1462340725.00679493 libvdwxc nonlocal (1122.25677s) started
T12 << 1462340743.22835588 libvdwxc nonlocal (1140.47833s) stopped
T12 >> 1462340743.22839808 redistribute (191.25174s) started
T12 << 1462340744.96866894 redistribute (192.99201s) stopped
T12 << 1462340744.97051001 van der Waals (1704.38527s) stopped
T12 << 1462340745.40870905 XC 3D grid (1764.40221s) stopped
T12 >> 1462340745.40875101 Poisson (869.21496s) started
T12 << 1462340761.13476491 Poisson (884.94097s) stopped
T12 >> 1462340761.13485098 Hartree integrate/restrict (22.80416s) started
T12 << 1462340761.17790508 Hartree integrate/restrict (22.84721s) stopped
T12 >> 1462340761.17794800 Hartree integrate/restrict (22.84724s) started
T12 << 1462340761.49716806 Hartree integrate/restrict (23.16646s) stopped
T12 >> 1462340761.49727201 Atomic (144.74313s) started
T12 >> 1462340761.49942708 XC Correction (0.00223s) started
T12 << 1462340761.49944592 XC Correction (0.00225s) stopped
T12 << 1462340763.87158799 Atomic (147.11744s) stopped
T12 >> 1462340763.87175989 Communicate (923.99202s) started
T12 << 1462340782.83404994 Communicate (942.95431s) stopped
T12 << 1462340782.83408594 Hamiltonian (3764.36129s) stopped
T12 << 1462340782.83410001 LCAO WFS Initialize (4640.97866s) stopped
T12 << 1462340782.84633899 Initialization (7926.33985s) stopped
T12 >> 1462340782.87237310 SCF-cycle (99568.99120s) started
T12 >> 1462340782.87240696 LCAO eigensolver (49912.75357s) started
T12 >> 1462340782.87242007 Potential matrix (744.23260s) started
T12 << 1462340783.85392690 Potential matrix (745.21410s) stopped
T12 >> 1462340783.85400105 DistributedAtomicCorrection (315.38977s) started
T12 << 1462340784.31040311 DistributedAtomicCorrection (315.84617s) stopped
T12 >> 1462340784.31045008 Distribute overlap matrix (5799.65139s) started
T12 >> 1462340784.31047797 blocked summation (3238.47148s) started
T12 << 1462340788.98031712 blocked summation (3243.14131s) stopped
T12 >> 1462340788.98940396 Scalapack redistribute (2553.68732s) started
T12 << 1462340792.62073803 Scalapack redistribute (2557.31865s) stopped
T12 << 1462340792.62082291 Distribute overlap matrix (5807.96177s) stopped
T12 >> 1462340792.62567806 Blacs Orbital Layouts (41695.87012s) started
T12 >> 1462340792.63384891 General diagonalize (41530.61451s) started
T12 << 1462340848.87800598 General diagonalize (41586.85866s) stopped
T12 >> 1462340848.87805200 Redistribute coefs (6.35792s) started
T12 << 1462340848.88732505 Redistribute coefs (6.36719s) stopped
T12 >> 1462340848.88736510 Send coefs to domains (151.91964s) started
T12 << 1462340849.00353694 Send coefs to domains (152.03581s) stopped
T12 << 1462340849.00377893 Blacs Orbital Layouts (41752.24822s) stopped
T12 >> 1462340849.00380611 Calculate projections (1353.85282s) started
T12 << 1462340850.77191496 Calculate projections (1355.62092s) stopped
T12 << 1462340850.77210307 LCAO eigensolver (49980.65327s) stopped
T12 >> 1462340853.85737991 Density (11724.01167s) started
T12 >> 1462340853.85739398 Pseudo density (9036.97116s) started
T12 >> 1462340853.85962105 Calculate density matrix (8484.67095s) started
T12 << 1462340865.73087907 Calculate density matrix (8496.54221s) stopped
T12 >> 1462340865.73092794 Construct density (537.96468s) started
T12 << 1462340866.52187490 Construct density (538.75563s) stopped
T12 >> 1462340866.53576803 Symmetrize density (0.06066s) started
T12 << 1462340866.53584003 Symmetrize density (0.06073s) stopped
T12 << 1462340866.53785491 Pseudo density (9049.65163s) stopped
T12 >> 1462340866.53791595 Atomic density matrices (2373.11546s) started
T12 << 1462340870.01477408 Atomic density matrices (2376.59231s) stopped
T12 >> 1462340870.01480699 Multipole moments (8.91243s) started
T12 << 1462340870.03071308 Multipole moments (8.92834s) stopped
T12 >> 1462340870.03073597 Normalize (4.81621s) started
T12 << 1462340870.03692508 Normalize (4.82240s) stopped
T12 >> 1462340870.03697205 Mix (300.13982s) started
T12 << 1462340870.37397194 Mix (300.47682s) stopped
T12 << 1462340870.37401795 Density (11740.52831s) stopped
T12 >> 1462340870.37404203 Hamiltonian (35501.26562s) started
T12 >> 1462340870.37405705 vbar (19.00444s) started
T12 << 1462340870.39749193 vbar (19.02788s) stopped
T12 >> 1462340870.39758706 XC 3D grid (20113.03436s) started
T12 >> 1462340870.88447595 van der Waals (19425.10255s) started
T12 >> 1462340870.99709296 semilocal (4104.69492s) started
T12 << 1462340876.76432610 semilocal (4110.46215s) stopped
T12 >> 1462340876.83773589 redistribute (2086.53145s) started
T12 << 1462340877.89087009 redistribute (2087.58459s) stopped
T12 >> 1462340877.89091492 libvdwxc nonlocal (13098.33582s) started
T12 << 1462340896.08930993 libvdwxc nonlocal (13116.53422s) stopped
T12 >> 1462340896.08937502 redistribute (2087.58462s) started
T12 << 1462340897.91898298 redistribute (2089.41423s) stopped
T12 << 1462340897.92073703 van der Waals (19452.13881s) stopped
T12 << 1462340898.36533689 XC 3D grid (20141.00211s) stopped
T12 >> 1462340898.36537910 Poisson (4168.56883s) started
T12 << 1462340904.11707211 Poisson (4174.32053s) stopped
T12 >> 1462340904.11714697 Hartree integrate/restrict (264.89972s) started
T12 << 1462340904.16001296 Hartree integrate/restrict (264.94259s) stopped
T12 >> 1462340904.16005802 Hartree integrate/restrict (264.94262s) started
T12 << 1462340904.51741409 Hartree integrate/restrict (265.29997s) stopped
T12 >> 1462340904.51750207 Atomic (1700.57107s) started
T12 >> 1462340904.51942706 XC Correction (0.02361s) started
T12 << 1462340904.51945496 XC Correction (0.02364s) stopped
T12 << 1462340906.89676094 Atomic (1702.95033s) stopped
T12 >> 1462340906.89694500 Communicate (9234.90952s) started
T12 << 1462340925.89138603 Communicate (9253.90396s) stopped
T12 << 1462340925.89141512 Hamiltonian (35556.78299s) stopped
T12 >> 1462340925.89143705 LCAO eigensolver (49980.65329s) started
T12 >> 1462340925.89144993 Potential matrix (745.21415s) started
T12 << 1462340926.87446094 Potential matrix (746.19716s) stopped
T12 >> 1462340926.87454700 DistributedAtomicCorrection (315.84621s) started
T12 << 1462340927.32287192 DistributedAtomicCorrection (316.29454s) stopped
T12 >> 1462340927.32292008 Distribute overlap matrix (5807.96178s) started
T12 >> 1462340927.32294703 blocked summation (3243.14136s) started
T12 << 1462340931.98362899 blocked summation (3247.80205s) stopped
T12 >> 1462340931.99345493 Scalapack redistribute (2557.31870s) started
T12 << 1462340935.73125696 Scalapack redistribute (2561.05650s) stopped
T12 << 1462340935.73133302 Distribute overlap matrix (5816.37019s) stopped
T12 >> 1462340935.73569798 Blacs Orbital Layouts (41752.24824s) started
T12 >> 1462340935.74390197 General diagonalize (41586.85870s) started
T12 << 1462340988.33804011 General diagonalize (41639.45284s) stopped
T12 >> 1462340988.33808708 Redistribute coefs (6.36722s) started
T12 << 1462340988.34703207 Redistribute coefs (6.37617s) stopped
T12 >> 1462340988.34709406 Send coefs to domains (152.03585s) started
T12 << 1462340988.52838802 Send coefs to domains (152.21714s) stopped
T12 << 1462340988.52862692 Blacs Orbital Layouts (41805.04117s) stopped
T12 >> 1462340988.52865505 Calculate projections (1355.62098s) started
T12 << 1462340990.29835010 Calculate projections (1357.39067s) stopped
T12 << 1462340990.29854488 LCAO eigensolver (50045.06040s) stopped
T12 >> 1462340993.39325190 Density (11740.52832s) started
T12 >> 1462340993.39326692 Pseudo density (9049.65167s) started
T12 >> 1462340993.39515591 Calculate density matrix (8496.54225s) started
T12 << 1462341005.32590103 Calculate density matrix (8508.47299s) stopped
T12 >> 1462341005.32595110 Construct density (538.75568s) started
T12 << 1462341006.11900401 Construct density (539.54873s) stopped
T12 >> 1462341006.13308096 Symmetrize density (0.06075s) started
T12 << 1462341006.13315010 Symmetrize density (0.06082s) stopped
T12 << 1462341006.13513899 Pseudo density (9062.39355s) stopped
T12 >> 1462341006.13519907 Atomic density matrices (2376.59234s) started
T12 << 1462341009.62754107 Atomic density matrices (2380.08468s) stopped
T12 >> 1462341009.62757301 Multipole moments (8.92835s) started
T12 << 1462341009.64295411 Multipole moments (8.94373s) stopped
T12 >> 1462341009.64297795 Normalize (4.82243s) started
T12 << 1462341009.64916396 Normalize (4.82862s) stopped
T12 >> 1462341009.64921093 Mix (300.47686s) started
T12 << 1462341009.99115992 Mix (300.81881s) stopped
T12 << 1462341009.99126101 Density (11757.12633s) stopped
T12 >> 1462341009.99129391 Hamiltonian (35556.78300s) started
T12 >> 1462341009.99131107 vbar (19.02793s) started
T12 << 1462341010.02403402 vbar (19.06065s) stopped
T12 >> 1462341010.02417397 XC 3D grid (20141.00215s) started
T12 >> 1462341010.57267499 van der Waals (19452.13888s) started
T12 >> 1462341010.68470693 semilocal (4110.46223s) started
T12 << 1462341016.49475098 semilocal (4116.27227s) stopped
T12 >> 1462341016.56510210 redistribute (2089.41427s) started
T12 << 1462341017.55278993 redistribute (2090.40195s) stopped
T12 >> 1462341017.55283189 libvdwxc nonlocal (13116.53427s) started
T12 << 1462341036.50639510 libvdwxc nonlocal (13135.48783s) stopped
T12 >> 1462341036.50646091 redistribute (2090.40199s) started
T12 << 1462341038.28065395 redistribute (2092.17618s) stopped
T12 << 1462341038.28230190 van der Waals (19479.84851s) stopped
T12 << 1462341038.72584200 XC 3D grid (20169.70381s) stopped
T12 >> 1462341038.72588491 Poisson (4174.32058s) started
T12 << 1462341050.42294693 Poisson (4186.01764s) stopped
T12 >> 1462341050.42300296 Hartree integrate/restrict (265.30002s) started
T12 << 1462341050.47843504 Hartree integrate/restrict (265.35545s) stopped
T12 >> 1462341050.47847795 Hartree integrate/restrict (265.35548s) started
T12 << 1462341050.79400802 Hartree integrate/restrict (265.67101s) stopped
T12 >> 1462341050.79411411 Atomic (1702.95035s) started
T12 >> 1462341050.79588294 XC Correction (0.02365s) started
T12 << 1462341050.79589796 XC Correction (0.02367s) stopped
T12 << 1462341053.18025088 Atomic (1705.33649s) stopped
T12 >> 1462341053.18043208 Communicate (9253.90398s) started
T12 << 1462341072.19250393 Communicate (9272.91605s) stopped
T12 << 1462341072.19254398 Hamiltonian (35618.98425s) stopped
T12 >> 1462341072.19256902 LCAO eigensolver (50045.06041s) started
T12 >> 1462341072.19258189 Potential matrix (746.19721s) started
T12 << 1462341073.17373610 Potential matrix (747.17836s) stopped
T12 >> 1462341073.17381310 DistributedAtomicCorrection (316.29458s) started
T12 << 1462341073.63103008 DistributedAtomicCorrection (316.75179s) stopped
T12 >> 1462341073.63107800 Distribute overlap matrix (5816.37020s) started
T12 >> 1462341073.63110590 blocked summation (3247.80208s) started
T12 << 1462341078.34174109 blocked summation (3252.51271s) stopped
T12 >> 1462341078.35190606 Scalapack redistribute (2561.05654s) started
T12 << 1462341081.99590397 Scalapack redistribute (2564.70053s) stopped
T12 << 1462341081.99598289 Distribute overlap matrix (5824.73511s) stopped
T12 >> 1462341082.00021911 Blacs Orbital Layouts (41805.04119s) started
T12 >> 1462341082.00859308 General diagonalize (41639.45288s) started
T12 << 1462341136.07518196 General diagonalize (41693.51947s) stopped
T12 >> 1462341136.07522893 Redistribute coefs (6.37622s) started
T12 << 1462341136.08454394 Redistribute coefs (6.38553s) stopped
T12 >> 1462341136.08458495 Send coefs to domains (152.21718s) started
T12 << 1462341136.21203589 Send coefs to domains (152.34463s) stopped
T12 << 1462341136.21221900 Blacs Orbital Layouts (41859.25319s) stopped
T12 >> 1462341136.21224689 Calculate projections (1357.39072s) started
T12 << 1462341137.98151708 Calculate projections (1359.15999s) stopped
T12 << 1462341137.98189998 LCAO eigensolver (50110.84974s) stopped
T12 >> 1462341141.04544997 Density (11757.12634s) started
T12 >> 1462341141.04546595 Pseudo density (9062.39359s) started
T12 >> 1462341141.04755497 Calculate density matrix (8508.47302s) started
T12 << 1462341153.01501012 Calculate density matrix (8520.44048s) stopped
T12 >> 1462341153.01505804 Construct density (539.54878s) started
T12 << 1462341153.80875492 Construct density (540.34248s) stopped
T12 >> 1462341153.82273507 Symmetrize density (0.06083s) started
T12 << 1462341153.82280898 Symmetrize density (0.06091s) stopped
T12 << 1462341153.82481194 Pseudo density (9075.17294s) stopped
T12 >> 1462341153.82487297 Atomic density matrices (2380.08471s) started
T12 << 1462341157.28644800 Atomic density matrices (2383.54628s) stopped
T12 >> 1462341157.28647995 Multipole moments (8.94375s) started
T12 << 1462341157.30696297 Multipole moments (8.96423s) stopped
T12 >> 1462341157.30699992 Normalize (4.82865s) started
T12 << 1462341157.31315994 Normalize (4.83481s) stopped
T12 >> 1462341157.31322098 Mix (300.81891s) started
T12 << 1462341157.69013095 Mix (301.19582s) stopped
T12 << 1462341157.69019294 Density (11773.77108s) stopped
T12 >> 1462341157.69022202 Hamiltonian (35618.98426s) started
T12 >> 1462341157.69023609 vbar (19.06073s) started
T12 << 1462341157.71419811 vbar (19.08470s) stopped
T12 >> 1462341157.71428704 XC 3D grid (20169.70385s) started
T12 >> 1462341158.22217202 van der Waals (19479.84858s) started
T12 >> 1462341158.33422709 semilocal (4116.27235s) started
T12 << 1462341164.18882799 semilocal (4122.12695s) stopped
T12 >> 1462341164.26060510 redistribute (2092.17624s) started
T12 << 1462341165.21981692 redistribute (2093.13545s) stopped
T12 >> 1462341165.21985888 libvdwxc nonlocal (13135.48788s) started
T12 << 1462341183.78663206 libvdwxc nonlocal (13154.05465s) stopped
T12 >> 1462341183.78669691 redistribute (2093.13549s) started
T12 << 1462341185.63096595 redistribute (2094.97976s) stopped
T12 << 1462341185.63265300 van der Waals (19507.25906s) stopped
T12 << 1462341186.07193303 XC 3D grid (20198.06149s) stopped
T12 >> 1462341186.07199192 Poisson (4186.01769s) started
T12 << 1462341194.73680997 Poisson (4194.68251s) stopped
T12 >> 1462341194.73686600 Hartree integrate/restrict (265.67106s) started
T12 << 1462341194.78705406 Hartree integrate/restrict (265.72125s) stopped
T12 >> 1462341194.78710294 Hartree integrate/restrict (265.72128s) started
T12 << 1462341195.10039997 Hartree integrate/restrict (266.03457s) stopped
T12 >> 1462341195.10049605 Atomic (1705.33652s) started
T12 >> 1462341195.10227489 XC Correction (0.02368s) started
T12 << 1462341195.10228992 XC Correction (0.02369s) stopped
T12 << 1462341197.50718093 Atomic (1707.74320s) stopped
T12 >> 1462341197.50736904 Communicate (9272.91608s) started
T12 << 1462341216.31427693 Communicate (9291.72299s) stopped
T12 << 1462341216.31431603 Hamiltonian (35677.60836s) stopped
T12 >> 1462341216.31434202 LCAO eigensolver (50110.84976s) started
T12 >> 1462341216.31435490 Potential matrix (747.17841s) started
T12 << 1462341217.28801990 Potential matrix (748.15208s) stopped
T12 >> 1462341217.28810596 DistributedAtomicCorrection (316.75183s) started
T12 << 1462341217.74557495 DistributedAtomicCorrection (317.20930s) stopped
T12 >> 1462341217.74562192 Distribute overlap matrix (5824.73512s) started
T12 >> 1462341217.74564791 blocked summation (3252.51275s) started
T12 << 1462341222.40938401 blocked summation (3257.17648s) stopped
T12 >> 1462341222.41883302 Scalapack redistribute (2564.70059s) started
T12 << 1462341226.04241800 Scalapack redistribute (2568.32418s) stopped
T12 << 1462341226.04252100 Distribute overlap matrix (5833.03202s) stopped
T12 >> 1462341226.04720902 Blacs Orbital Layouts (41859.25321s) started
T12 >> 1462341226.05575490 General diagonalize (41693.51951s) started
T12 << 1462341279.08799100 General diagonalize (41746.55174s) stopped
T12 >> 1462341279.08803797 Redistribute coefs (6.38556s) started
T12 << 1462341279.09712100 Redistribute coefs (6.39465s) stopped
T12 >> 1462341279.09716010 Send coefs to domains (152.34466s) started
T12 << 1462341279.34281492 Send coefs to domains (152.59032s) stopped
T12 << 1462341279.34298801 Blacs Orbital Layouts (41912.54899s) stopped
T12 >> 1462341279.34301496 Calculate projections (1359.16005s) started
T12 << 1462341281.11241508 Calculate projections (1360.92945s) stopped
T12 << 1462341281.11277699 LCAO eigensolver (50175.64820s) stopped
T12 >> 1462341284.20420194 Density (11773.77110s) started
T12 >> 1462341284.20421791 Pseudo density (9075.17299s) started
T12 >> 1462341284.20612407 Calculate density matrix (8520.44051s) started
T12 << 1462341296.09776711 Calculate density matrix (8532.33215s) stopped
T12 >> 1462341296.09782195 Construct density (540.34253s) started
T12 << 1462341296.88979697 Construct density (541.13451s) stopped
T12 >> 1462341296.90372491 Symmetrize density (0.06093s) started
T12 << 1462341296.90379596 Symmetrize density (0.06100s) stopped
T12 << 1462341296.90578294 Pseudo density (9087.87455s) stopped
T12 >> 1462341296.90584207 Atomic density matrices (2383.54631s) started
T12 << 1462341300.44991589 Atomic density matrices (2387.09038s) stopped
T12 >> 1462341300.44994998 Multipole moments (8.96425s) started
T12 << 1462341300.46588802 Multipole moments (8.98019s) stopped
T12 >> 1462341300.46591902 Normalize (4.83486s) started
T12 << 1462341300.47206712 Normalize (4.84100s) stopped
T12 >> 1462341300.47211599 Mix (301.19588s) started
T12 << 1462341300.86565709 Mix (301.58942s) stopped
T12 << 1462341300.86569095 Density (11790.43259s) stopped
T12 >> 1462341300.86571693 Hamiltonian (35677.60837s) started
T12 >> 1462341300.86573291 vbar (19.08475s) started
T12 << 1462341300.88964391 vbar (19.10866s) stopped
T12 >> 1462341300.88973188 XC 3D grid (20198.06154s) started
T12 >> 1462341301.38101292 van der Waals (19507.25912s) started
T12 >> 1462341301.49231505 semilocal (4122.12700s) started
T12 << 1462341307.31985211 semilocal (4127.95453s) stopped
T12 >> 1462341307.39233708 redistribute (2094.97985s) started
T12 << 1462341308.37507200 redistribute (2095.96258s) stopped
T12 >> 1462341308.37514806 libvdwxc nonlocal (13154.05470s) started
T12 << 1462341327.00676203 libvdwxc nonlocal (13172.68632s) stopped
T12 >> 1462341327.00681710 redistribute (2095.96263s) started
T12 << 1462341328.74146390 redistribute (2097.69728s) stopped
T12 << 1462341328.74365902 van der Waals (19534.62176s) stopped
T12 << 1462341329.18591499 XC 3D grid (20226.35772s) stopped
T12 >> 1462341329.18595791 Poisson (4194.68255s) started
T12 << 1462341336.48919892 Poisson (4201.98579s) stopped
T12 >> 1462341336.48927212 Hartree integrate/restrict (266.03462s) started
T12 << 1462341336.53816390 Hartree integrate/restrict (266.08351s) stopped
T12 >> 1462341336.53820491 Hartree integrate/restrict (266.08354s) started
T12 << 1462341336.84829998 Hartree integrate/restrict (266.39364s) stopped
T12 >> 1462341336.84839296 Atomic (1707.74323s) started
T12 >> 1462341336.85022092 XC Correction (0.02370s) started
T12 << 1462341336.85024595 XC Correction (0.02373s) stopped
T12 << 1462341339.26185799 Atomic (1710.15669s) stopped
T12 >> 1462341339.26203990 Communicate (9291.72301s) started
T12 << 1462341357.20626712 Communicate (9309.66724s) stopped
T12 << 1462341357.20630598 Hamiltonian (35733.94896s) stopped
T12 >> 1462341357.20633197 LCAO eigensolver (50175.64822s) started
T12 >> 1462341357.20634508 Potential matrix (748.15213s) started
T12 << 1462341358.19249892 Potential matrix (749.13828s) stopped
T12 >> 1462341358.19258308 DistributedAtomicCorrection (317.20934s) started
T12 << 1462341358.64916301 DistributedAtomicCorrection (317.66592s) stopped
T12 >> 1462341358.64922190 Distribute overlap matrix (5833.03203s) started
T12 >> 1462341358.64924407 blocked summation (3257.17651s) started
T12 << 1462341363.28789306 blocked summation (3261.81516s) stopped
T12 >> 1462341363.29718208 Scalapack redistribute (2568.32425s) started
T12 << 1462341366.98486996 Scalapack redistribute (2572.01194s) stopped
T12 << 1462341366.98495293 Distribute overlap matrix (5841.36776s) stopped
T12 >> 1462341366.98917794 Blacs Orbital Layouts (41912.54901s) started
T12 >> 1462341366.99741292 General diagonalize (41746.55178s) started
T12 << 1462341420.79458594 General diagonalize (41800.34895s) stopped
T12 >> 1462341420.79463911 Redistribute coefs (6.39468s) started
T12 << 1462341420.80454612 Redistribute coefs (6.40458s) stopped
T12 >> 1462341420.80459404 Send coefs to domains (152.59035s) started
T12 << 1462341420.96917200 Send coefs to domains (152.75493s) stopped
T12 << 1462341420.96950412 Blacs Orbital Layouts (41966.52933s) stopped
T12 >> 1462341420.96954107 Calculate projections (1360.92950s) started
T12 << 1462341422.75007296 Calculate projections (1362.71003s) stopped
T12 << 1462341422.75054598 LCAO eigensolver (50241.19243s) stopped
T12 >> 1462341425.82825303 Density (11790.43260s) started
T12 >> 1462341425.82826900 Pseudo density (9087.87460s) started
T12 >> 1462341425.83084607 Calculate density matrix (8532.33220s) started
T12 << 1462341437.71857905 Calculate density matrix (8544.21993s) stopped
T12 >> 1462341437.71863604 Construct density (541.13456s) started
T12 << 1462341438.51331401 Construct density (541.92924s) stopped
T12 >> 1462341438.53007698 Symmetrize density (0.06102s) started
T12 << 1462341438.53014994 Symmetrize density (0.06109s) stopped
T12 << 1462341438.53266311 Pseudo density (9100.57900s) stopped
T12 >> 1462341438.53273010 Atomic density matrices (2387.09041s) started
T12 << 1462341442.05545402 Atomic density matrices (2390.61313s) stopped
T12 >> 1462341442.05549192 Multipole moments (8.98020s) started
T12 << 1462341442.07098699 Multipole moments (8.99570s) stopped
T12 >> 1462341442.07102203 Normalize (4.84104s) started
T12 << 1462341442.07780600 Normalize (4.84782s) stopped
T12 >> 1462341442.07786012 Mix (301.58945s) started
T12 << 1462341442.55263710 Mix (302.06423s) stopped
T12 << 1462341442.55269909 Density (11807.15705s) stopped
T12 >> 1462341442.55272698 Hamiltonian (35733.94897s) started
T12 >> 1462341442.55274296 vbar (19.10871s) started
T12 << 1462341442.58004808 vbar (19.13602s) stopped
T12 >> 1462341442.58020306 XC 3D grid (20226.35776s) started
T12 >> 1462341443.05705309 van der Waals (19534.62186s) started
T12 >> 1462341443.17168903 semilocal (4127.95461s) started
T12 << 1462341448.95435190 semilocal (4133.73727s) stopped
T12 >> 1462341449.02741909 redistribute (2097.69737s) started
T12 << 1462341450.02329803 redistribute (2098.69325s) stopped
T12 >> 1462341450.02336192 libvdwxc nonlocal (13172.68636s) started
T12 << 1462341467.92204690 libvdwxc nonlocal (13190.58504s) stopped
T12 >> 1462341467.92213011 redistribute (2098.69329s) started
T12 << 1462341469.93395901 redistribute (2100.70512s) stopped
T12 << 1462341469.93515611 van der Waals (19561.49997s) stopped
T12 << 1462341470.38549900 XC 3D grid (20254.16305s) stopped
T12 >> 1462341470.38556790 Poisson (4201.98584s) started
T12 << 1462341476.15211010 Poisson (4207.75238s) stopped
T12 >> 1462341476.15218401 Hartree integrate/restrict (266.39368s) started
T12 << 1462341476.19187999 Hartree integrate/restrict (266.43338s) stopped
T12 >> 1462341476.19199109 Hartree integrate/restrict (266.43345s) started
T12 << 1462341476.50646496 Hartree integrate/restrict (266.74793s) stopped
T12 >> 1462341476.50657511 Atomic (1710.15671s) started
T12 >> 1462341476.50853491 XC Correction (0.02374s) started
T12 << 1462341476.50855088 XC Correction (0.02376s) stopped
T12 << 1462341478.91722798 Atomic (1712.56737s) stopped
T12 >> 1462341478.91745710 Communicate (9309.66727s) started
T12 << 1462341496.28155899 Communicate (9327.03137s) stopped
T12 << 1462341496.28160405 Hamiltonian (35787.67785s) stopped
T12 >> 1462341496.28163099 LCAO eigensolver (50241.19245s) started
T12 >> 1462341496.28164506 Potential matrix (749.13833s) started
T12 << 1462341497.26936889 Potential matrix (750.12605s) stopped
T12 >> 1462341497.26945496 DistributedAtomicCorrection (317.66596s) started
T12 << 1462341497.73301291 DistributedAtomicCorrection (318.12952s) stopped
T12 >> 1462341497.73307395 Distribute overlap matrix (5841.36778s) started
T12 >> 1462341497.73309803 blocked summation (3261.81519s) started
T12 << 1462341502.24166107 blocked summation (3266.32376s) stopped
T12 >> 1462341502.25154400 Scalapack redistribute (2572.01200s) started
T12 << 1462341506.07764006 Scalapack redistribute (2575.83809s) stopped
T12 << 1462341506.07775402 Distribute overlap matrix (5849.71246s) stopped
T12 >> 1462341506.08250809 Blacs Orbital Layouts (41966.52935s) started
T12 >> 1462341506.09110689 General diagonalize (41800.34900s) started
T12 << 1462341561.69492006 General diagonalize (41855.95281s) stopped
T12 >> 1462341561.69497299 Redistribute coefs (6.40462s) started
T12 << 1462341561.70424604 Redistribute coefs (6.41389s) stopped
T12 >> 1462341561.70429397 Send coefs to domains (152.75496s) started
T12 << 1462341561.94618392 Send coefs to domains (152.99685s) stopped
T12 << 1462341561.94638610 Blacs Orbital Layouts (42022.39323s) stopped
T12 >> 1462341561.94642210 Calculate projections (1362.71010s) started
T12 << 1462341563.72604108 Calculate projections (1364.48972s) stopped
T12 << 1462341563.72643304 LCAO eigensolver (50308.63725s) stopped
T12 >> 1462341566.81869102 Density (11807.15706s) started
T12 >> 1462341566.81870794 Pseudo density (9100.57905s) started
T12 >> 1462341566.82110405 Calculate density matrix (8544.21997s) started
T12 << 1462341578.64412498 Calculate density matrix (8556.04299s) stopped
T12 >> 1462341578.64418197 Construct density (541.92930s) started
T12 << 1462341579.43823099 Construct density (542.72334s) stopped
T12 >> 1462341579.45467901 Symmetrize density (0.06111s) started
T12 << 1462341579.45475411 Symmetrize density (0.06119s) stopped
T12 << 1462341579.45722508 Pseudo density (9113.21757s) stopped
T12 >> 1462341579.45729208 Atomic density matrices (2390.61316s) started
T12 << 1462341582.99027705 Atomic density matrices (2394.14614s) stopped
T12 >> 1462341582.99031591 Multipole moments (8.99572s) started
T12 << 1462341583.00619698 Multipole moments (9.01160s) stopped
T12 >> 1462341583.00623012 Normalize (4.84786s) started
T12 << 1462341583.01269889 Normalize (4.85433s) stopped
T12 >> 1462341583.01274300 Mix (302.06429s) started
T12 << 1462341583.43159008 Mix (302.48314s) stopped
T12 << 1462341583.43163705 Density (11823.77001s) stopped
T12 >> 1462341583.43166304 Hamiltonian (35787.67786s) started
T12 >> 1462341583.43167806 vbar (19.13611s) started
T12 << 1462341583.45882297 vbar (19.16325s) stopped
T12 >> 1462341583.45898294 XC 3D grid (20254.16311s) started
T12 >> 1462341583.93840289 van der Waals (19561.49999s) started
T12 >> 1462341584.05634189 semilocal (4133.73733s) started
T12 << 1462341589.78983402 semilocal (4139.47082s) stopped
T12 >> 1462341589.86282611 redistribute (2100.70516s) started
T12 << 1462341590.90327191 redistribute (2101.74560s) stopped
T12 >> 1462341590.90334702 libvdwxc nonlocal (13190.58511s) started
T12 << 1462341608.89988494 libvdwxc nonlocal (13208.58165s) stopped
T12 >> 1462341608.89995909 redistribute (2101.74567s) started
T12 << 1462341610.91228604 redistribute (2103.75799s) stopped
T12 << 1462341610.91389799 van der Waals (19588.47548s) stopped
T12 << 1462341611.35476494 XC 3D grid (20282.05889s) stopped
T12 >> 1462341611.35481501 Poisson (4207.75244s) started
T12 << 1462341615.78939199 Poisson (4212.18701s) stopped
T12 >> 1462341615.78949594 Hartree integrate/restrict (266.74798s) started
T12 << 1462341615.82809496 Hartree integrate/restrict (266.78658s) stopped
T12 >> 1462341615.82819295 Hartree integrate/restrict (266.78664s) started
T12 << 1462341616.13755488 Hartree integrate/restrict (267.09600s) stopped
T12 >> 1462341616.13765311 Atomic (1712.56742s) started
T12 >> 1462341616.13953209 XC Correction (0.02377s) started
T12 << 1462341616.13954711 XC Correction (0.02378s) stopped
T12 << 1462341618.57332110 Atomic (1715.00309s) stopped
T12 >> 1462341618.57351494 Communicate (9327.03140s) started
T12 << 1462341635.96446896 Communicate (9344.42235s) stopped
T12 << 1462341635.96451092 Hamiltonian (35840.21071s) stopped
T12 >> 1462341635.96453810 LCAO eigensolver (50308.63727s) started
T12 >> 1462341635.96455097 Potential matrix (750.12610s) started
T12 << 1462341636.94645596 Potential matrix (751.10801s) stopped
T12 >> 1462341636.94653702 DistributedAtomicCorrection (318.12956s) started
T12 << 1462341637.41087103 DistributedAtomicCorrection (318.59389s) stopped
T12 >> 1462341637.41093397 Distribute overlap matrix (5849.71247s) started
T12 >> 1462341637.41095901 blocked summation (3266.32379s) started
T12 << 1462341642.04159307 blocked summation (3270.95443s) stopped
T12 >> 1462341642.05188704 Scalapack redistribute (2575.83815s) started
T12 << 1462341645.79329991 Scalapack redistribute (2579.57957s) stopped
T12 << 1462341645.79343891 Distribute overlap matrix (5858.09497s) stopped
T12 >> 1462341645.79833889 Blacs Orbital Layouts (42022.39325s) started
T12 >> 1462341645.80650401 General diagonalize (41855.95285s) started
T12 << 1462341701.02970004 General diagonalize (41911.17605s) stopped
T12 >> 1462341701.02974701 Redistribute coefs (6.41393s) started
T12 << 1462341701.03954792 Redistribute coefs (6.42373s) stopped
T12 >> 1462341701.03958893 Send coefs to domains (152.99690s) started
T12 << 1462341701.27707291 Send coefs to domains (153.23438s) stopped
T12 << 1462341701.27735090 Blacs Orbital Layouts (42077.87226s) stopped
T12 >> 1462341701.27738404 Calculate projections (1364.48977s) started
T12 << 1462341703.04753494 Calculate projections (1366.25992s) stopped
T12 << 1462341703.04800296 LCAO eigensolver (50375.72073s) stopped
T12 >> 1462341706.13734889 Density (11823.77002s) started
T12 >> 1462341706.13736391 Pseudo density (9113.21762s) started
T12 >> 1462341706.13961601 Calculate density matrix (8556.04303s) started
T12 << 1462341719.05138803 Calculate density matrix (8568.95480s) stopped
T12 >> 1462341719.05143499 Construct density (542.72340s) started
T12 << 1462341719.84469199 Construct density (543.51666s) stopped
T12 >> 1462341719.85906506 Symmetrize density (0.06121s) started
T12 << 1462341719.85912704 Symmetrize density (0.06127s) stopped
T12 << 1462341719.86122894 Pseudo density (9126.94148s) stopped
T12 >> 1462341719.86128712 Atomic density matrices (2394.14617s) started
T12 << 1462341723.34869909 Atomic density matrices (2397.63358s) stopped
T12 >> 1462341723.34873295 Multipole moments (9.01161s) started
T12 << 1462341723.36397696 Multipole moments (9.02686s) stopped
T12 >> 1462341723.36401010 Normalize (4.85436s) started
T12 << 1462341723.37015390 Normalize (4.86050s) stopped
T12 >> 1462341723.37023592 Mix (302.48318s) started
T12 << 1462341723.75694895 Mix (302.86990s) stopped
T12 << 1462341723.75701690 Density (11841.38969s) stopped
T12 >> 1462341723.75704694 Hamiltonian (35840.21072s) started
T12 >> 1462341723.75706291 vbar (19.16334s) started
T12 << 1462341723.78242397 vbar (19.18870s) stopped
T12 >> 1462341723.78253102 XC 3D grid (20282.05893s) started
T12 >> 1462341724.37103891 van der Waals (19588.47552s) started
T12 >> 1462341724.48021197 semilocal (4139.47092s) started
T12 << 1462341730.32212996 semilocal (4145.31284s) stopped
T12 >> 1462341730.39858794 redistribute (2103.75808s) started
T12 << 1462341731.36840510 redistribute (2104.72790s) stopped
T12 >> 1462341731.36846995 libvdwxc nonlocal (13208.58170s) started
T12 << 1462341749.60145998 libvdwxc nonlocal (13226.81469s) stopped
T12 >> 1462341749.60152507 redistribute (2104.72795s) started
T12 << 1462341751.42132711 redistribute (2106.54775s) stopped
T12 << 1462341751.42338705 van der Waals (19615.52787s) stopped
T12 << 1462341751.86397099 XC 3D grid (20310.14037s) stopped
T12 >> 1462341751.86404204 Poisson (4212.18709s) started
T12 << 1462341756.29382491 Poisson (4216.61687s) stopped
T12 >> 1462341756.29391193 Hartree integrate/restrict (267.09605s) started
T12 << 1462341756.33510804 Hartree integrate/restrict (267.13725s) stopped
T12 >> 1462341756.33525205 Hartree integrate/restrict (267.13735s) started
T12 << 1462341756.70377207 Hartree integrate/restrict (267.50587s) stopped
T12 >> 1462341756.70388103 Atomic (1715.00311s) started
T12 >> 1462341756.70586491 XC Correction (0.02379s) started
T12 << 1462341756.70588994 XC Correction (0.02382s) stopped
T12 << 1462341759.13474607 Atomic (1717.43398s) stopped
T12 >> 1462341759.13494205 Communicate (9344.42238s) started
T12 << 1462341776.48820806 Communicate (9361.77565s) stopped
T12 << 1462341776.48825097 Hamiltonian (35892.94193s) stopped
T12 >> 1462341776.48827696 LCAO eigensolver (50375.72075s) started
T12 >> 1462341776.48829007 Potential matrix (751.10805s) started
T12 << 1462341777.45978093 Potential matrix (752.07954s) stopped
T12 >> 1462341777.45986605 DistributedAtomicCorrection (318.59393s) started
T12 << 1462341777.92878890 DistributedAtomicCorrection (319.06285s) stopped
T12 >> 1462341777.92885709 Distribute overlap matrix (5858.09499s) started
T12 >> 1462341777.92888188 blocked summation (3270.95446s) started
T12 << 1462341782.86334491 blocked summation (3275.88893s) stopped
T12 >> 1462341782.87335491 Scalapack redistribute (2579.57964s) started
T12 << 1462341786.36063099 Scalapack redistribute (2583.06692s) stopped
T12 << 1462341786.36075306 Distribute overlap matrix (5866.52689s) stopped
T12 >> 1462341786.36522698 Blacs Orbital Layouts (42077.87228s) started
T12 >> 1462341786.37344599 General diagonalize (41911.17609s) started
T12 << 1462341842.43867898 General diagonalize (41967.24132s) stopped
T12 >> 1462341842.43873501 Redistribute coefs (6.42376s) started
T12 << 1462341842.44851398 Redistribute coefs (6.43354s) stopped
T12 >> 1462341842.44856095 Send coefs to domains (153.23441s) started
T12 << 1462341842.54411602 Send coefs to domains (153.32997s) stopped
T12 << 1462341842.54429889 Blacs Orbital Layouts (42134.05136s) stopped
T12 >> 1462341842.54433489 Calculate projections (1366.25997s) started
T12 << 1462341844.32763696 Calculate projections (1368.04328s) stopped
T12 << 1462341844.32802701 LCAO eigensolver (50443.56050s) stopped
T12 >> 1462341847.40427995 Density (11841.38970s) started
T12 >> 1462341847.40429592 Pseudo density (9126.94153s) started
T12 >> 1462341847.40676999 Calculate density matrix (8568.95483s) started
T12 << 1462341859.33784199 Calculate density matrix (8580.88591s) stopped
T12 >> 1462341859.33789897 Construct density (543.51671s) started
T12 << 1462341860.13218689 Construct density (544.31100s) stopped
T12 >> 1462341860.14853001 Symmetrize density (0.06129s) started
T12 << 1462341860.14860392 Symmetrize density (0.06136s) stopped
T12 << 1462341860.15109801 Pseudo density (9139.68833s) stopped
T12 >> 1462341860.15116501 Atomic density matrices (2397.63361s) started
T12 << 1462341863.69565606 Atomic density matrices (2401.17810s) stopped
T12 >> 1462341863.69569302 Multipole moments (9.02687s) started
T12 << 1462341863.71163893 Multipole moments (9.04282s) stopped
T12 >> 1462341863.71167397 Normalize (4.86057s) started
T12 << 1462341863.71839809 Normalize (4.86729s) stopped
T12 >> 1462341863.71844411 Mix (302.86996s) started
T12 << 1462341864.14981890 Mix (303.30134s) stopped
T12 << 1462341864.14985204 Density (11858.13528s) stopped
T12 >> 1462341864.14987803 Hamiltonian (35892.94194s) started
T12 >> 1462341864.14989305 vbar (19.18876s) started
T12 << 1462341864.17705011 vbar (19.21592s) stopped
T12 >> 1462341864.17722297 XC 3D grid (20310.14043s) started
T12 >> 1462341864.66106796 van der Waals (19615.52797s) started
T12 >> 1462341864.77573109 semilocal (4145.31292s) started
T12 << 1462341870.51009989 semilocal (4151.04729s) stopped
T12 >> 1462341870.58276796 redistribute (2106.54784s) started
T12 << 1462341871.62482405 redistribute (2107.58990s) stopped
T12 >> 1462341871.62488699 libvdwxc nonlocal (13226.81474s) started
T12 << 1462341889.80322409 libvdwxc nonlocal (13244.99308s) stopped
T12 >> 1462341889.80330706 redistribute (2107.58994s) started
T12 << 1462341891.95071793 redistribute (2109.73735s) stopped
T12 << 1462341891.95235801 van der Waals (19642.81926s) stopped
T12 << 1462341892.39555693 XC 3D grid (20338.35876s) stopped
T12 >> 1462341892.39560604 Poisson (4216.61693s) started
T12 << 1462341895.36610389 Poisson (4219.58743s) stopped
T12 >> 1462341895.36620212 Hartree integrate/restrict (267.50593s) started
T12 << 1462341895.40586591 Hartree integrate/restrict (267.54559s) stopped
T12 >> 1462341895.40594506 Hartree integrate/restrict (267.54564s) started
T12 << 1462341895.74210310 Hartree integrate/restrict (267.88180s) stopped
T12 >> 1462341895.74221396 Atomic (1717.43400s) started
T12 >> 1462341895.74421811 XC Correction (0.02383s) started
T12 << 1462341895.74423790 XC Correction (0.02385s) stopped
T12 << 1462341898.17374706 Atomic (1719.86554s) stopped
T12 >> 1462341898.17393899 Communicate (9361.77568s) started
T12 << 1462341915.56043196 Communicate (9379.16217s) stopped
T12 << 1462341915.56047702 Hamiltonian (35944.35254s) stopped
T12 >> 1462341915.56050396 LCAO eigensolver (50443.56052s) started
T12 >> 1462341915.56051803 Potential matrix (752.07959s) started
T12 << 1462341916.54046512 Potential matrix (753.05954s) stopped
T12 >> 1462341916.54054689 DistributedAtomicCorrection (319.06290s) started
T12 << 1462341917.00378299 DistributedAtomicCorrection (319.52613s) stopped
T12 >> 1462341917.00386691 Distribute overlap matrix (5866.52690s) started
T12 >> 1462341917.00389409 blocked summation (3275.88896s) started
T12 << 1462341921.64562893 blocked summation (3280.53070s) stopped
T12 >> 1462341921.65566611 Scalapack redistribute (2583.06699s) started
T12 << 1462341925.49957705 Scalapack redistribute (2586.91090s) stopped
T12 << 1462341925.49968290 Distribute overlap matrix (5875.02271s) stopped
T12 >> 1462341925.50436711 Blacs Orbital Layouts (42134.05138s) started
T12 >> 1462341925.51302910 General diagonalize (41967.24136s) started
T12 << 1462341980.67059207 General diagonalize (42022.39893s) stopped
T12 >> 1462341980.67064500 Redistribute coefs (6.43358s) started
T12 << 1462341980.68005705 Redistribute coefs (6.44299s) stopped
T12 >> 1462341980.68010402 Send coefs to domains (153.33000s) started
T12 << 1462341980.77893901 Send coefs to domains (153.42884s) stopped
T12 << 1462341980.77922106 Blacs Orbital Layouts (42189.32623s) stopped
T12 >> 1462341980.77925897 Calculate projections (1368.04333s) started
T12 << 1462341982.55902505 Calculate projections (1369.82310s) stopped
T12 << 1462341982.55941701 LCAO eigensolver (50510.55943s) stopped
T12 >> 1462341985.61637211 Density (11858.13529s) started
T12 >> 1462341985.61638904 Pseudo density (9139.68838s) started
T12 >> 1462341985.61931801 Calculate density matrix (8580.88594s) started
T12 << 1462341997.59029794 Calculate density matrix (8592.85692s) stopped
T12 >> 1462341997.59035611 Construct density (544.31105s) started
T12 << 1462341998.38523412 Construct density (545.10593s) stopped
T12 >> 1462341998.40153909 Symmetrize density (0.06138s) started
T12 << 1462341998.40161300 Symmetrize density (0.06146s) stopped
T12 << 1462341998.40410089 Pseudo density (9152.47609s) stopped
T12 >> 1462341998.40416789 Atomic density matrices (2401.17813s) started
T12 << 1462342001.93457103 Atomic density matrices (2404.70853s) stopped
T12 >> 1462342001.93460798 Multipole moments (9.04284s) started
T12 << 1462342001.95049191 Multipole moments (9.05872s) stopped
T12 >> 1462342001.95052505 Normalize (4.86732s) started
T12 << 1462342001.95740700 Normalize (4.87421s) stopped
T12 >> 1462342001.95744991 Mix (303.30137s) started
T12 << 1462342002.39391303 Mix (303.73783s) stopped
T12 << 1462342002.39397097 Density (11874.91289s) stopped
T12 >> 1462342002.39400101 Hamiltonian (35944.35255s) started
T12 >> 1462342002.39401603 vbar (19.21602s) started
T12 << 1462342002.42493796 vbar (19.24694s) stopped
T12 >> 1462342002.42520094 XC 3D grid (20338.35880s) started
T12 >> 1462342002.89839292 van der Waals (19642.81931s) started
T12 >> 1462342003.01144409 semilocal (4151.04738s) started
T12 << 1462342008.76940107 semilocal (4156.80534s) stopped
T12 >> 1462342008.84159398 redistribute (2109.73739s) started
T12 << 1462342009.88191795 redistribute (2110.77772s) stopped
T12 >> 1462342009.88198805 libvdwxc nonlocal (13244.99314s) started
T12 << 1462342028.62613702 libvdwxc nonlocal (13263.73729s) stopped
T12 >> 1462342028.62622094 redistribute (2110.77778s) started
T12 << 1462342030.79128599 redistribute (2112.94284s) stopped
T12 << 1462342030.79279995 van der Waals (19670.71372s) stopped
T12 << 1462342031.23721600 XC 3D grid (20367.17082s) stopped
T12 >> 1462342031.23728204 Poisson (4219.58750s) started
T12 << 1462342035.68454599 Poisson (4224.03476s) stopped
T12 >> 1462342035.68465304 Hartree integrate/restrict (267.88186s) started
T12 << 1462342035.72335100 Hartree integrate/restrict (267.92056s) stopped
T12 >> 1462342035.72352791 Hartree integrate/restrict (267.92067s) started
T12 << 1462342036.08692908 Hartree integrate/restrict (268.28407s) stopped
T12 >> 1462342036.08701396 Atomic (1719.86556s) started
T12 >> 1462342036.08890200 XC Correction (0.02386s) started
T12 << 1462342036.08891892 XC Correction (0.02388s) stopped
T12 << 1462342038.49362397 Atomic (1722.27217s) stopped
T12 >> 1462342038.49380493 Communicate (9379.16220s) started
T12 << 1462342055.87852097 Communicate (9396.54692s) stopped
T12 << 1462342055.87856007 Hamiltonian (35997.83711s) stopped
T12 >> 1462342055.87858701 LCAO eigensolver (50510.55945s) started
T12 >> 1462342055.87860107 Potential matrix (753.05959s) started
T12 << 1462342056.86066198 Potential matrix (754.04165s) stopped
T12 >> 1462342056.86074400 DistributedAtomicCorrection (319.52617s) started
T12 << 1462342057.32120109 DistributedAtomicCorrection (319.98663s) stopped
T12 >> 1462342057.32126307 Distribute overlap matrix (5875.02273s) started
T12 >> 1462342057.32128811 blocked summation (3280.53073s) started
T12 << 1462342061.99771190 blocked summation (3285.20716s) stopped
T12 >> 1462342062.00683093 Scalapack redistribute (2586.91095s) started
T12 << 1462342065.75124598 Scalapack redistribute (2590.65537s) stopped
T12 << 1462342065.75134897 Distribute overlap matrix (5883.45281s) stopped
T12 >> 1462342065.75609493 Blacs Orbital Layouts (42189.32625s) started
T12 >> 1462342065.76394606 General diagonalize (42022.39897s) started
T12 << 1462342120.92206502 General diagonalize (42077.55709s) stopped
T12 >> 1462342120.92211699 Redistribute coefs (6.44302s) started
T12 << 1462342120.93156600 Redistribute coefs (6.45247s) stopped
T12 >> 1462342120.93161392 Send coefs to domains (153.42888s) started
T12 << 1462342121.39827609 Send coefs to domains (153.89554s) stopped
T12 << 1462342121.39846611 Blacs Orbital Layouts (42244.96862s) stopped
T12 >> 1462342121.39850092 Calculate projections (1369.82316s) started
T12 << 1462342123.17914796 Calculate projections (1371.60380s) stopped
T12 << 1462342123.17935896 LCAO eigensolver (50577.86023s) stopped
T12 >> 1462342126.23708892 Density (11874.91290s) started
T12 >> 1462342126.23710489 Pseudo density (9152.47615s) started
T12 >> 1462342126.23946500 Calculate density matrix (8592.85696s) started
T12 << 1462342138.20940709 Calculate density matrix (8604.82690s) stopped
T12 >> 1462342138.20946407 Construct density (545.10599s) started
T12 << 1462342139.00358200 Construct density (545.90011s) stopped
T12 >> 1462342139.01995611 Symmetrize density (0.06148s) started
T12 << 1462342139.02003002 Symmetrize density (0.06155s) stopped
T12 << 1462342139.02253103 Pseudo density (9165.26157s) stopped
T12 >> 1462342139.02259994 Atomic density matrices (2404.70856s) started
T12 << 1462342142.54578805 Atomic density matrices (2408.23175s) stopped
T12 >> 1462342142.54583001 Multipole moments (9.05874s) started
T12 << 1462342142.56129408 Multipole moments (9.07420s) stopped
T12 >> 1462342142.56132889 Normalize (4.87424s) started
T12 << 1462342142.56819701 Normalize (4.88110s) stopped
T12 >> 1462342142.56824303 Mix (303.73789s) started
T12 << 1462342143.05233598 Mix (304.22198s) stopped
T12 << 1462342143.05239892 Density (11891.72821s) stopped
T12 >> 1462342143.05242991 Hamiltonian (35997.83713s) started
T12 >> 1462342143.05244493 vbar (19.24711s) started
T12 << 1462342143.08319402 vbar (19.27786s) stopped
T12 >> 1462342143.08339596 XC 3D grid (20367.17087s) started
T12 >> 1462342143.56666803 van der Waals (19670.71377s) started
T12 >> 1462342143.67568994 semilocal (4156.80545s) started
T12 << 1462342149.47759295 semilocal (4162.60735s) stopped
T12 >> 1462342149.54963708 redistribute (2112.94289s) started
T12 << 1462342150.51226807 redistribute (2113.90553s) stopped
T12 >> 1462342150.51233196 libvdwxc nonlocal (13263.73735s) started
T12 << 1462342168.55580401 libvdwxc nonlocal (13281.78082s) stopped
T12 >> 1462342168.55590892 redistribute (2113.90556s) started
T12 << 1462342170.63976407 redistribute (2115.98942s) stopped
T12 << 1462342170.64109898 van der Waals (19697.78820s) stopped
T12 << 1462342171.07853699 XC 3D grid (20395.16601s) stopped
T12 >> 1462342171.07858205 Poisson (4224.03484s) started
T12 << 1462342173.99064994 Poisson (4226.94691s) stopped
T12 >> 1462342173.99073792 Hartree integrate/restrict (268.28411s) started
T12 << 1462342174.02993011 Hartree integrate/restrict (268.32330s) stopped
T12 >> 1462342174.03002191 Hartree integrate/restrict (268.32336s) started
T12 << 1462342174.34778905 Hartree integrate/restrict (268.64113s) stopped
T12 >> 1462342174.34789610 Atomic (1722.27220s) started
T12 >> 1462342174.34984803 XC Correction (0.02389s) started
T12 << 1462342174.34987712 XC Correction (0.02392s) stopped
T12 << 1462342176.78310704 Atomic (1724.70741s) stopped
T12 >> 1462342176.78328395 Communicate (9396.54694s) started
T12 << 1462342194.31668496 Communicate (9414.08034s) stopped
T12 << 1462342194.31672502 Hamiltonian (36049.10142s) stopped
T12 >> 1462342194.31675196 LCAO eigensolver (50577.86024s) started
T12 >> 1462342194.31676602 Potential matrix (754.04169s) started
T12 << 1462342195.30386090 Potential matrix (755.02879s) stopped
T12 >> 1462342195.30394411 DistributedAtomicCorrection (319.98667s) started
T12 << 1462342195.76632690 DistributedAtomicCorrection (320.44905s) stopped
T12 >> 1462342195.76638389 Distribute overlap matrix (5883.45283s) started
T12 >> 1462342195.76640797 blocked summation (3285.20719s) started
T12 << 1462342200.41747403 blocked summation (3289.85826s) stopped
T12 >> 1462342200.42663193 Scalapack redistribute (2590.65542s) started
T12 << 1462342204.19250989 Scalapack redistribute (2594.42130s) stopped
T12 << 1462342204.19263101 Distribute overlap matrix (5891.87907s) stopped
T12 >> 1462342204.19719696 Blacs Orbital Layouts (42244.96864s) started
T12 >> 1462342204.20585489 General diagonalize (42077.55713s) started
T12 << 1462342260.09955096 General diagonalize (42133.45082s) stopped
T12 >> 1462342260.09959698 Redistribute coefs (6.45251s) started
T12 << 1462342260.10916901 Redistribute coefs (6.46208s) stopped
T12 >> 1462342260.10920906 Send coefs to domains (153.89558s) started
T12 << 1462342260.53486300 Send coefs to domains (154.32123s) stopped
T12 << 1462342260.53513288 Blacs Orbital Layouts (42301.30658s) stopped
T12 >> 1462342260.53516507 Calculate projections (1371.60386s) started
T12 << 1462342262.30537605 Calculate projections (1373.37407s) stopped
T12 << 1462342262.30562305 LCAO eigensolver (50645.84912s) stopped
T12 << 1462342265.36697412 SCF-cycle (101051.48580s) stopped
T12 >> 1462342267.50423002 Force calculation (4737.91618s) started
T12 >> 1462342267.50431705 LCAO forces (4686.61624s) started
T12 >> 1462342267.50468206 Initial (0.00136s) started
T12 << 1462342267.50469303 Initial (0.00137s) stopped
T12 >> 1462342267.51150393 Get density matrix (2438.82150s) started
T12 << 1462342276.66173911 Get density matrix (2447.97173s) stopped
T12 >> 1462342276.66178298 Potential (369.17298s) started
T12 << 1462342282.94813490 Potential (375.45933s) stopped
T12 >> 1462342282.94819307 Get density matrix (2447.97176s) started
T12 << 1462342314.54369307 Get density matrix (2479.56726s) stopped
T12 >> 1462342314.54380488 Prepare TCI loop (131.08299s) started
T12 >> 1462342314.54439998 Get neighbors (117.06557s) started
T12 << 1462342316.44188595 Get neighbors (118.96305s) stopped
T12 >> 1462342316.44266391 broadcast dH (13.94704s) started
T12 << 1462342316.92320895 broadcast dH (14.42758s) stopped
T12 << 1462342316.92325091 Prepare TCI loop (133.46244s) stopped
T12 >> 1462342316.92326999 Not so complicated loop (7.16112s) started
T12 << 1462342317.04139805 Not so complicated loop (7.27925s) stopped
T12 >> 1462342317.15951705 Complicated loop (1134.41636s) started
T12 << 1462342336.86621809 Complicated loop (1154.12307s) stopped
T12 >> 1462342336.86818790 Wait for sum (598.25047s) started
T12 << 1462342347.97883892 Wait for sum (609.36112s) stopped
T12 << 1462342347.97887611 LCAO forces (4767.09080s) stopped
T12 << 1462342348.82299089 Force calculation (4819.23494s) stopped
T12 >> 1462342348.84084511 Initialization (7926.33987s) started
T12 << 1462342348.84102106 Initialization (7926.34004s) stopped
T12 >> 1462342348.84124994 Initialization (7926.34006s) started
T12 << 1462342348.84139109 Initialization (7926.34020s) stopped
T12 >> 1462342348.84153199 Initialization (7926.34021s) started
T12 << 1462342348.84166789 Initialization (7926.34035s) stopped
T12 >> 1462342369.05394292 Initialization (7926.34037s) started
T12 >> 1462342369.24132895 Basic WFS set positions (5.40309s) started
T12 >> 1462342369.24135303 Redistribute (0.01574s) started
T12 << 1462342369.24148297 Redistribute (0.01587s) stopped
T12 << 1462342369.33146906 Basic WFS set positions (5.49323s) stopped
T12 >> 1462342369.33149695 Basis functions set positions (113.69355s) started
T12 << 1462342371.37335205 Basis functions set positions (115.73541s) stopped
T12 >> 1462342371.37433600 TCI: Calculate S, T, P (940.40459s) started
T12 << 1462342387.34147406 TCI: Calculate S, T, P (956.37173s) stopped
T12 >> 1462342387.34152794 blocked summation (1544.92512s) started
T12 << 1462342420.37415004 blocked summation (1577.95774s) stopped
T12 >> 1462342420.38314891 Scalapack redistribute (561.17822s) started
T12 << 1462342429.19215012 Scalapack redistribute (569.98722s) stopped
T12 >> 1462342429.19319892 blocked summation (1577.95778s) started
T12 << 1462342430.23240304 blocked summation (1578.99698s) stopped
T12 >> 1462342430.24257302 Scalapack redistribute (569.98728s) started
T12 << 1462342430.48469400 Scalapack redistribute (570.22940s) stopped
T12 >> 1462342430.48642302 Redistribute (0.11984s) started
T12 << 1462342430.48693895 Redistribute (0.12036s) stopped
T12 >> 1462342432.27938104 Redistribute (0.12037s) started
T12 << 1462342432.27985501 Redistribute (0.12085s) stopped
T12 >> 1462342432.29422593 LCAO WFS Initialize (4640.97868s) started
T12 >> 1462342432.29430509 Density initialize from wavefunctions (875.68420s) started
T12 >> 1462342432.30022693 Calculate density matrix (604.37355s) started
T12 << 1462342442.15958309 Calculate density matrix (614.23291s) stopped
T12 >> 1462342442.15963101 Construct density (46.25330s) started
T12 << 1462342442.94303489 Construct density (47.03671s) stopped
T12 >> 1462342442.95704007 Symmetrize density (0.00504s) started
T12 << 1462342442.95710111 Symmetrize density (0.00510s) stopped
T12 << 1462342446.79631996 Density initialize from wavefunctions (890.18622s) stopped
T12 >> 1462342446.79664302 Hamiltonian (3764.36131s) started
T12 >> 1462342446.79666090 vbar (1.72934s) started
T12 << 1462342446.82207608 vbar (1.75476s) stopped
T12 >> 1462342446.82217908 XC 3D grid (1764.40224s) started
T12 >> 1462342447.34241104 van der Waals (1704.38537s) started
T12 >> 1462342447.45088696 semilocal (359.03118s) started
T12 << 1462342453.21589708 semilocal (364.79619s) stopped
T12 >> 1462342453.29964900 redistribute (192.99206s) started
T12 << 1462342454.34692597 redistribute (194.03934s) stopped
T12 >> 1462342454.34697390 libvdwxc nonlocal (1140.47836s) started
T12 << 1462342472.79140711 libvdwxc nonlocal (1158.92279s) stopped
T12 >> 1462342472.79147196 redistribute (194.03937s) started
T12 << 1462342474.61946011 redistribute (195.86736s) stopped
T12 << 1462342474.62044597 van der Waals (1731.66341s) stopped
T12 << 1462342475.08651805 XC 3D grid (1792.66658s) stopped
T12 >> 1462342475.08656096 Poisson (884.94104s) started
T12 << 1462342486.71987104 Poisson (896.57435s) stopped
T12 >> 1462342486.71999192 Hartree integrate/restrict (23.16651s) started
T12 << 1462342486.77123499 Hartree integrate/restrict (23.21776s) stopped
T12 >> 1462342486.77129292 Hartree integrate/restrict (23.21779s) started
T12 << 1462342487.10897303 Hartree integrate/restrict (23.55547s) stopped
T12 >> 1462342487.10906506 Atomic (147.11746s) started
T12 >> 1462342487.11125302 XC Correction (0.00226s) started
T12 << 1462342487.11127210 XC Correction (0.00228s) stopped
T12 << 1462342489.47902989 Atomic (149.48743s) stopped
T12 >> 1462342489.47920203 Communicate (942.95433s) started
T12 << 1462342508.07462192 Communicate (961.54975s) stopped
T12 << 1462342508.07465911 Hamiltonian (3825.63932s) stopped
T12 << 1462342508.07467389 LCAO WFS Initialize (4716.75913s) stopped
T12 << 1462342508.08699989 Initialization (8065.37343s) stopped
T12 >> 1462342508.11309505 SCF-cycle (101051.48582s) started
T12 >> 1462342508.11312890 LCAO eigensolver (50645.84913s) started
T12 >> 1462342508.11314201 Potential matrix (755.02883s) started
T12 << 1462342509.09840202 Potential matrix (756.01409s) stopped
T12 >> 1462342509.09849191 DistributedAtomicCorrection (320.44909s) started
T12 << 1462342509.55352306 DistributedAtomicCorrection (320.90412s) stopped
T12 >> 1462342509.55357003 Distribute overlap matrix (5891.87909s) started
T12 >> 1462342509.55360293 blocked summation (3289.85830s) started
T12 << 1462342514.16848898 blocked summation (3294.47318s) stopped
T12 >> 1462342514.17827892 Scalapack redistribute (2594.42137s) started
T12 << 1462342517.98936391 Scalapack redistribute (2598.23245s) stopped
T12 << 1462342517.98946095 Distribute overlap matrix (5900.31498s) stopped
T12 >> 1462342517.99386692 Blacs Orbital Layouts (42301.30660s) started
T12 >> 1462342518.00245404 General diagonalize (42133.45086s) started
T12 << 1462342571.03639007 General diagonalize (42186.48480s) stopped
T12 >> 1462342571.03643799 Redistribute coefs (6.46211s) started
T12 << 1462342571.04354596 Redistribute coefs (6.46922s) stopped
T12 >> 1462342571.04365706 Send coefs to domains (154.32127s) started
T12 << 1462342571.24122405 Send coefs to domains (154.51883s) stopped
T12 << 1462342571.24163890 Blacs Orbital Layouts (42354.55437s) stopped
T12 >> 1462342571.24166703 Calculate projections (1373.37412s) started
T12 << 1462342573.00526905 Calculate projections (1375.13773s) stopped
T12 << 1462342573.00562596 LCAO eigensolver (50710.74163s) stopped
T12 >> 1462342576.10390306 Density (11891.72822s) started
T12 >> 1462342576.10391808 Pseudo density (9165.26163s) started
T12 >> 1462342576.10565591 Calculate density matrix (8604.82694s) started
T12 << 1462342587.96510291 Calculate density matrix (8616.68639s) stopped
T12 >> 1462342587.96515107 Construct density (545.90017s) started
T12 << 1462342588.74821401 Construct density (546.68323s) stopped
T12 >> 1462342588.76199794 Symmetrize density (0.06157s) started
T12 << 1462342588.76206207 Symmetrize density (0.06163s) stopped
T12 << 1462342588.76400900 Pseudo density (9177.92172s) stopped
T12 >> 1462342588.76406598 Atomic density matrices (2408.23178s) started
T12 << 1462342592.32514691 Atomic density matrices (2411.79286s) stopped
T12 >> 1462342592.32517910 Multipole moments (9.07422s) started
T12 << 1462342592.34089899 Multipole moments (9.08994s) stopped
T12 >> 1462342592.34092212 Normalize (4.88114s) started
T12 << 1462342592.34719396 Normalize (4.88741s) stopped
T12 >> 1462342592.34724689 Mix (304.22205s) started
T12 << 1462342592.69198895 Mix (304.56679s) stopped
T12 << 1462342592.69206309 Density (11908.31638s) stopped
T12 >> 1462342592.69209790 Hamiltonian (36049.10143s) started
T12 >> 1462342592.69211292 vbar (19.27797s) started
T12 << 1462342592.72349310 vbar (19.30935s) stopped
T12 >> 1462342592.72363305 XC 3D grid (20395.16605s) started
T12 >> 1462342593.26830292 van der Waals (19697.78825s) started
T12 >> 1462342593.37604690 semilocal (4162.60741s) started
T12 << 1462342599.14302301 semilocal (4168.37438s) stopped
T12 >> 1462342599.22519708 redistribute (2115.98946s) started
T12 << 1462342600.21980190 redistribute (2116.98407s) stopped
T12 >> 1462342600.21984506 libvdwxc nonlocal (13281.78091s) started
T12 << 1462342618.46493101 libvdwxc nonlocal (13300.02599s) stopped
T12 >> 1462342618.46499205 redistribute (2116.98410s) started
T12 << 1462342620.16527200 redistribute (2118.68438s) stopped
T12 << 1462342620.16647696 van der Waals (19724.68642s) stopped
T12 << 1462342620.63045096 XC 3D grid (20423.07287s) stopped
T12 >> 1462342620.63049197 Poisson (4226.94697s) started
T12 << 1462342625.02926707 Poisson (4231.34574s) stopped
T12 >> 1462342625.02932596 Hartree integrate/restrict (268.64118s) started
T12 << 1462342625.07920909 Hartree integrate/restrict (268.69107s) stopped
T12 >> 1462342625.07934189 Hartree integrate/restrict (268.69115s) started
T12 << 1462342625.43748593 Hartree integrate/restrict (269.04930s) stopped
T12 >> 1462342625.43756700 Atomic (1724.70743s) started
T12 >> 1462342625.43945098 XC Correction (0.02393s) started
T12 << 1462342625.43946695 XC Correction (0.02395s) stopped
T12 << 1462342627.81641507 Atomic (1727.08628s) stopped
T12 >> 1462342627.81659198 Communicate (9414.08037s) started
T12 << 1462342646.44427299 Communicate (9432.70805s) stopped
T12 << 1462342646.44430804 Hamiltonian (36102.85364s) stopped
T12 >> 1462342646.44433308 LCAO eigensolver (50710.74165s) started
T12 >> 1462342646.44434595 Potential matrix (756.01415s) started
T12 << 1462342647.41962600 Potential matrix (756.98943s) stopped
T12 >> 1462342647.41969800 DistributedAtomicCorrection (320.90416s) started
T12 << 1462342647.87402391 DistributedAtomicCorrection (321.35848s) stopped
T12 >> 1462342647.87407207 Distribute overlap matrix (5900.31499s) started
T12 >> 1462342647.87409997 blocked summation (3294.47324s) started
T12 << 1462342652.58312297 blocked summation (3299.18226s) stopped
T12 >> 1462342652.59294391 Scalapack redistribute (2598.23251s) started
T12 << 1462342656.35239601 Scalapack redistribute (2601.99196s) stopped
T12 << 1462342656.35248709 Distribute overlap matrix (5908.79341s) stopped
T12 >> 1462342656.35750699 Blacs Orbital Layouts (42354.55439s) started
T12 >> 1462342656.36648798 General diagonalize (42186.48484s) started
T12 << 1462342712.70009494 General diagonalize (42242.81844s) stopped
T12 >> 1462342712.70015192 Redistribute coefs (6.46931s) started
T12 << 1462342712.70889091 Redistribute coefs (6.47805s) stopped
T12 >> 1462342712.70893788 Send coefs to domains (154.51887s) started
T12 << 1462342712.94844890 Send coefs to domains (154.75838s) stopped
T12 << 1462342712.94894409 Blacs Orbital Layouts (42411.14583s) stopped
T12 >> 1462342712.94897389 Calculate projections (1375.13777s) started
T12 << 1462342714.72859192 Calculate projections (1376.91739s) stopped
T12 << 1462342714.72908211 LCAO eigensolver (50779.02640s) stopped
T12 >> 1462342717.81122494 Density (11908.31640s) started
T12 >> 1462342717.81124210 Pseudo density (9177.92177s) started
T12 >> 1462342717.81435990 Calculate density matrix (8616.68642s) started
T12 << 1462342729.68733406 Calculate density matrix (8628.55940s) stopped
T12 >> 1462342729.68739104 Construct density (546.68328s) started
T12 << 1462342730.47120404 Construct density (547.46709s) stopped
T12 >> 1462342730.48913789 Symmetrize density (0.06165s) started
T12 << 1462342730.48921204 Symmetrize density (0.06173s) stopped
T12 << 1462342730.49170899 Pseudo density (9190.60223s) stopped
T12 >> 1462342730.49177694 Atomic density matrices (2411.79288s) started
T12 << 1462342734.01206112 Atomic density matrices (2415.31317s) stopped
T12 >> 1462342734.01209688 Multipole moments (9.08996s) started
T12 << 1462342734.02705002 Multipole moments (9.10491s) stopped
T12 >> 1462342734.02707410 Normalize (4.88745s) started
T12 << 1462342734.03487301 Normalize (4.89524s) stopped
T12 >> 1462342734.03492689 Mix (304.56686s) started
T12 << 1462342734.45574999 Mix (304.98768s) stopped
T12 << 1462342734.45581889 Density (11924.96099s) stopped
T12 >> 1462342734.45584798 Hamiltonian (36102.85366s) started
T12 >> 1462342734.45586300 vbar (19.30943s) started
T12 << 1462342734.48011708 vbar (19.33369s) stopped
T12 >> 1462342734.48023391 XC 3D grid (20423.07290s) started
T12 >> 1462342734.99384189 van der Waals (19724.68645s) started
T12 >> 1462342735.10721993 semilocal (4168.37446s) started
T12 << 1462342740.87256598 semilocal (4174.13981s) stopped
T12 >> 1462342740.94768095 redistribute (2118.68444s) started
T12 << 1462342741.96098995 redistribute (2119.69775s) stopped
T12 >> 1462342741.96106410 libvdwxc nonlocal (13300.02604s) started
T12 << 1462342759.87711310 libvdwxc nonlocal (13317.94209s) stopped
T12 >> 1462342759.87719703 redistribute (2119.69781s) started
T12 << 1462342761.92284012 redistribute (2121.74345s) stopped
T12 << 1462342761.92403889 van der Waals (19751.61664s) stopped
T12 << 1462342762.38680410 XC 3D grid (20450.97947s) stopped
T12 >> 1462342762.38685393 Poisson (4231.34579s) started
T12 << 1462342771.04300809 Poisson (4240.00194s) stopped
T12 >> 1462342771.04310608 Hartree integrate/restrict (269.04934s) started
T12 << 1462342771.08270788 Hartree integrate/restrict (269.08894s) stopped
T12 >> 1462342771.08280301 Hartree integrate/restrict (269.08900s) started
T12 << 1462342771.42905092 Hartree integrate/restrict (269.43525s) stopped
T12 >> 1462342771.42914391 Atomic (1727.08630s) started
T12 >> 1462342771.43112612 XC Correction (0.02396s) started
T12 << 1462342771.43114710 XC Correction (0.02398s) stopped
T12 << 1462342773.80477095 Atomic (1729.46193s) stopped
T12 >> 1462342773.80497289 Communicate (9432.70807s) started
T12 << 1462342792.50032091 Communicate (9451.40342s) stopped
T12 << 1462342792.50036502 Hamiltonian (36160.89817s) stopped
T12 >> 1462342792.50039196 LCAO eigensolver (50779.02642s) started
T12 >> 1462342792.50044608 Potential matrix (756.98947s) started
T12 << 1462342793.47315192 Potential matrix (757.96217s) stopped
T12 >> 1462342793.47323298 DistributedAtomicCorrection (321.35852s) started
T12 << 1462342793.92847800 DistributedAtomicCorrection (321.81377s) stopped
T12 >> 1462342793.92852592 Distribute overlap matrix (5908.79342s) started
T12 >> 1462342793.92855597 blocked summation (3299.18229s) started
T12 << 1462342798.60783792 blocked summation (3303.86157s) stopped
T12 >> 1462342798.61734605 Scalapack redistribute (2601.99203s) started
T12 << 1462342802.43371296 Scalapack redistribute (2605.80839s) stopped
T12 << 1462342802.43377209 Distribute overlap matrix (5917.29866s) stopped
T12 >> 1462342802.43907809 Blacs Orbital Layouts (42411.14585s) started
T12 >> 1462342802.44799399 General diagonalize (42242.81849s) started
T12 << 1462342859.70684505 General diagonalize (42300.07734s) stopped
T12 >> 1462342859.70690107 Redistribute coefs (6.47809s) started
T12 << 1462342859.71544194 Redistribute coefs (6.48663s) stopped
T12 >> 1462342859.71552396 Send coefs to domains (154.75842s) started
T12 << 1462342859.86574006 Send coefs to domains (154.90864s) stopped
T12 << 1462342859.86611795 Blacs Orbital Layouts (42468.57289s) stopped
T12 >> 1462342859.86614799 Calculate projections (1376.91745s) started
T12 << 1462342861.64679909 Calculate projections (1378.69810s) stopped
T12 << 1462342861.64700699 LCAO eigensolver (50848.17303s) stopped
T12 >> 1462342864.72499490 Density (11924.96101s) started
T12 >> 1462342864.72501111 Pseudo density (9190.60229s) started
T12 >> 1462342864.72740602 Calculate density matrix (8628.55944s) started
T12 << 1462342876.59365702 Calculate density matrix (8640.42569s) stopped
T12 >> 1462342876.59371400 Construct density (547.46715s) started
T12 << 1462342877.37909389 Construct density (548.25253s) stopped
T12 >> 1462342877.39647603 Symmetrize density (0.06175s) started
T12 << 1462342877.39655089 Symmetrize density (0.06182s) stopped
T12 << 1462342877.39901805 Pseudo density (9203.27629s) stopped
T12 >> 1462342877.39908504 Atomic density matrices (2415.31319s) started
T12 << 1462342880.98972511 Atomic density matrices (2418.90383s) stopped
T12 >> 1462342880.98978591 Multipole moments (9.10492s) started
T12 << 1462342881.00545907 Multipole moments (9.12060s) stopped
T12 >> 1462342881.00549412 Normalize (4.89528s) started
T12 << 1462342881.01342201 Normalize (4.90321s) stopped
T12 >> 1462342881.01347494 Mix (304.98775s) started
T12 << 1462342881.40779209 Mix (305.38206s) stopped
T12 << 1462342881.40787101 Density (11941.64388s) stopped
T12 >> 1462342881.40790606 Hamiltonian (36160.89819s) started
T12 >> 1462342881.40792489 vbar (19.33375s) started
T12 << 1462342881.43180299 vbar (19.35763s) stopped
T12 >> 1462342881.43186903 XC 3D grid (20450.97951s) started
T12 >> 1462342881.94972110 van der Waals (19751.61667s) started
T12 >> 1462342882.06139994 semilocal (4174.13989s) started
T12 << 1462342887.80554509 semilocal (4179.88404s) stopped
T12 >> 1462342887.87951112 redistribute (2121.74351s) started
T12 << 1462342888.95699811 redistribute (2122.82100s) stopped
T12 >> 1462342888.95704889 libvdwxc nonlocal (13317.94215s) started
T12 << 1462342907.51441908 libvdwxc nonlocal (13336.49952s) stopped
T12 >> 1462342907.51449490 redistribute (2122.82104s) started
T12 << 1462342909.57955289 redistribute (2124.88610s) stopped
T12 << 1462342909.58042502 van der Waals (19779.24737s) stopped
T12 << 1462342910.04253507 XC 3D grid (20479.59018s) stopped
T12 >> 1462342910.04258990 Poisson (4240.00201s) started
T12 << 1462342917.36298895 Poisson (4247.32241s) stopped
T12 >> 1462342917.36316705 Hartree integrate/restrict (269.43529s) started
T12 << 1462342917.40567493 Hartree integrate/restrict (269.47780s) stopped
T12 >> 1462342917.40578890 Hartree integrate/restrict (269.47787s) started
T12 << 1462342917.76334906 Hartree integrate/restrict (269.83543s) stopped
T12 >> 1462342917.76344800 Atomic (1729.46196s) started
T12 >> 1462342917.76553202 XC Correction (0.02399s) started
T12 << 1462342917.76555204 XC Correction (0.02401s) stopped
T12 << 1462342920.12863207 Atomic (1731.82714s) stopped
T12 >> 1462342920.12884307 Communicate (9451.40345s) started
T12 << 1462342938.71369696 Communicate (9469.98831s) stopped
T12 << 1462342938.71372604 Hamiltonian (36218.20401s) stopped
T12 >> 1462342938.71374798 LCAO eigensolver (50848.17305s) started
T12 >> 1462342938.71376109 Potential matrix (757.96222s) started
T12 << 1462342939.69111204 Potential matrix (758.93957s) stopped
T12 >> 1462342939.69119692 DistributedAtomicCorrection (321.81381s) started
T12 << 1462342940.14163709 DistributedAtomicCorrection (322.26425s) stopped
T12 >> 1462342940.14168596 Distribute overlap matrix (5917.29868s) started
T12 >> 1462342940.14171600 blocked summation (3303.86163s) started
T12 << 1462342944.83494401 blocked summation (3308.55486s) stopped
T12 >> 1462342944.84524298 Scalapack redistribute (2605.80843s) started
T12 << 1462342948.75457096 Scalapack redistribute (2609.71776s) stopped
T12 << 1462342948.75465894 Distribute overlap matrix (5925.91165s) stopped
T12 >> 1462342948.75934696 Blacs Orbital Layouts (42468.57291s) started
T12 >> 1462342948.76806092 General diagonalize (42300.07739s) started
T12 << 1462343005.04714894 General diagonalize (42356.35647s) stopped
T12 >> 1462343005.04720402 Redistribute coefs (6.48669s) started
T12 << 1462343005.05574107 Redistribute coefs (6.49523s) stopped
T12 >> 1462343005.05582809 Send coefs to domains (154.90867s) started
T12 << 1462343005.19097996 Send coefs to domains (155.04383s) stopped
T12 << 1462343005.19136691 Blacs Orbital Layouts (42525.00493s) stopped
T12 >> 1462343005.19139695 Calculate projections (1378.69816s) started
T12 << 1462343006.97105193 Calculate projections (1380.47781s) stopped
T12 << 1462343006.97147107 LCAO eigensolver (50916.43078s) stopped
T12 >> 1462343010.02495289 Density (11941.64390s) started
T12 >> 1462343010.02496791 Pseudo density (9203.27635s) started
T12 >> 1462343010.02712297 Calculate density matrix (8640.42573s) started
T12 << 1462343022.14762998 Calculate density matrix (8652.54623s) stopped
T12 >> 1462343022.14768696 Construct density (548.25259s) started
T12 << 1462343022.92938495 Construct density (549.03429s) stopped
T12 >> 1462343022.94542408 Symmetrize density (0.06184s) started
T12 << 1462343022.94549990 Symmetrize density (0.06192s) stopped
T12 << 1462343022.94796395 Pseudo density (9216.19934s) stopped
T12 >> 1462343022.94803190 Atomic density matrices (2418.90389s) started
T12 << 1462343026.46180296 Atomic density matrices (2422.41766s) stopped
T12 >> 1462343026.46184301 Multipole moments (9.12061s) started
T12 << 1462343026.47750902 Multipole moments (9.13628s) stopped
T12 >> 1462343026.47754192 Normalize (4.90325s) started
T12 << 1462343026.48409295 Normalize (4.90980s) stopped
T12 >> 1462343026.48413801 Mix (305.38214s) started
T12 << 1462343026.90272498 Mix (305.80073s) stopped
T12 << 1462343026.90278292 Density (11958.52173s) stopped
T12 >> 1462343026.90281200 Hamiltonian (36218.20402s) started
T12 >> 1462343026.90283108 vbar (19.35767s) started
T12 << 1462343026.92751694 vbar (19.38236s) stopped
T12 >> 1462343026.92764091 XC 3D grid (20479.59022s) started
T12 >> 1462343027.43259311 van der Waals (19779.24740s) started
T12 >> 1462343027.54281807 semilocal (4179.88412s) started
T12 << 1462343033.28028297 semilocal (4185.62159s) stopped
T12 >> 1462343033.35411000 redistribute (2124.88616s) started
T12 << 1462343034.44817209 redistribute (2125.98023s) stopped
T12 >> 1462343034.44823694 libvdwxc nonlocal (13336.49958s) started
T12 << 1462343052.47835708 libvdwxc nonlocal (13354.52970s) stopped
T12 >> 1462343052.47844100 redistribute (2125.98026s) started
T12 << 1462343054.74185205 redistribute (2128.24368s) stopped
T12 << 1462343054.74289989 van der Waals (19806.55771s) stopped
T12 << 1462343055.21099496 XC 3D grid (20507.87357s) stopped
T12 >> 1462343055.21105003 Poisson (4247.32255s) started
T12 << 1462343061.06803393 Poisson (4253.17953s) stopped
T12 >> 1462343061.06813097 Hartree integrate/restrict (269.83548s) started
T12 << 1462343061.10936093 Hartree integrate/restrict (269.87671s) stopped
T12 >> 1462343061.10945201 Hartree integrate/restrict (269.87676s) started
T12 << 1462343061.43968797 Hartree integrate/restrict (270.20700s) stopped
T12 >> 1462343061.43977690 Atomic (1731.82717s) started
T12 >> 1462343061.44176793 XC Correction (0.02403s) started
T12 << 1462343061.44179296 XC Correction (0.02405s) stopped
T12 << 1462343063.82340193 Atomic (1734.21079s) stopped
T12 >> 1462343063.82360506 Communicate (9469.98833s) started
T12 << 1462343081.67053008 Communicate (9487.83525s) stopped
T12 << 1462343081.67056990 Hamiltonian (36272.97178s) stopped
T12 >> 1462343081.67059803 LCAO eigensolver (50916.43079s) started
T12 >> 1462343081.67061210 Potential matrix (758.93962s) started
T12 << 1462343082.64585590 Potential matrix (759.91486s) stopped
T12 >> 1462343082.64594007 DistributedAtomicCorrection (322.26429s) started
T12 << 1462343083.10655403 DistributedAtomicCorrection (322.72490s) stopped
T12 >> 1462343083.10661411 Distribute overlap matrix (5925.91166s) started
T12 >> 1462343083.10663891 blocked summation (3308.55489s) started
T12 << 1462343087.80049610 blocked summation (3313.24875s) stopped
T12 >> 1462343087.81052089 Scalapack redistribute (2609.71783s) started
T12 << 1462343091.66535902 Scalapack redistribute (2613.57266s) stopped
T12 << 1462343091.66545796 Distribute overlap matrix (5934.47051s) stopped
T12 >> 1462343091.67005396 Blacs Orbital Layouts (42525.00495s) started
T12 >> 1462343091.67857409 General diagonalize (42356.35652s) started
T12 << 1462343147.63596606 General diagonalize (42412.31391s) stopped
T12 >> 1462343147.63603806 Redistribute coefs (6.49530s) started
T12 << 1462343147.64362001 Redistribute coefs (6.50288s) stopped
T12 >> 1462343147.64371991 Send coefs to domains (155.04387s) started
T12 << 1462343147.73888206 Send coefs to domains (155.13903s) stopped
T12 << 1462343147.73940802 Blacs Orbital Layouts (42581.07430s) stopped
T12 >> 1462343147.73947501 Calculate projections (1380.47787s) started
T12 << 1462343149.50797510 Calculate projections (1382.24637s) stopped
T12 << 1462343149.50845909 LCAO eigensolver (50984.26866s) stopped
T12 >> 1462343152.60139704 Density (11958.52174s) started
T12 >> 1462343152.60143590 Pseudo density (9216.19940s) started
T12 >> 1462343152.60314107 Calculate density matrix (8652.54627s) started
T12 << 1462343164.50436091 Calculate density matrix (8664.44749s) stopped
T12 >> 1462343164.50441003 Construct density (549.03435s) started
T12 << 1462343165.28857493 Construct density (549.81851s) stopped
T12 >> 1462343165.30282688 Symmetrize density (0.06193s) started
T12 << 1462343165.30289102 Symmetrize density (0.06200s) stopped
T12 << 1462343165.30499101 Pseudo density (9228.90295s) stopped
T12 >> 1462343165.30504990 Atomic density matrices (2422.41769s) started
T12 << 1462343168.86712599 Atomic density matrices (2425.97976s) stopped
T12 >> 1462343168.86716008 Multipole moments (9.13630s) started
T12 << 1462343168.88281608 Multipole moments (9.15195s) stopped
T12 >> 1462343168.88284898 Normalize (4.90983s) started
T12 << 1462343168.88900590 Normalize (4.91599s) stopped
T12 >> 1462343168.88910794 Mix (305.80078s) started
T12 << 1462343169.31778502 Mix (306.22946s) stopped
T12 << 1462343169.31782389 Density (11975.23817s) stopped
T12 >> 1462343169.31785107 Hamiltonian (36272.97179s) started
T12 >> 1462343169.31786609 vbar (19.38243s) started
T12 << 1462343169.34199691 vbar (19.40656s) stopped
T12 >> 1462343169.34212399 XC 3D grid (20507.87361s) started
T12 >> 1462343169.85011506 van der Waals (19806.55774s) started
T12 >> 1462343169.95802808 semilocal (4185.62169s) started
T12 << 1462343175.72203994 semilocal (4191.38571s) stopped
T12 >> 1462343175.80854392 redistribute (2128.24374s) started
T12 << 1462343176.84139395 redistribute (2129.27659s) stopped
T12 >> 1462343176.84147096 libvdwxc nonlocal (13354.52976s) started
T12 << 1462343195.52964401 libvdwxc nonlocal (13373.21794s) stopped
T12 >> 1462343195.52970910 redistribute (2129.27664s) started
T12 << 1462343197.24698400 redistribute (2130.99392s) stopped
T12 << 1462343197.24810004 van der Waals (19833.95572s) stopped
T12 << 1462343197.71887112 XC 3D grid (20536.25036s) stopped
T12 >> 1462343197.71891308 Poisson (4253.17960s) started
T12 << 1462343203.60465407 Poisson (4259.06534s) stopped
T12 >> 1462343203.60472202 Hartree integrate/restrict (270.20704s) started
T12 << 1462343203.65366101 Hartree integrate/restrict (270.25598s) stopped
T12 >> 1462343203.65370893 Hartree integrate/restrict (270.25600s) started
T12 << 1462343203.96870303 Hartree integrate/restrict (270.57100s) stopped
T12 >> 1462343203.96880507 Atomic (1734.21082s) started
T12 >> 1462343203.97064996 XC Correction (0.02407s) started
T12 << 1462343203.97066402 XC Correction (0.02408s) stopped
T12 << 1462343206.34542704 Atomic (1736.58744s) stopped
T12 >> 1462343206.34560490 Communicate (9487.83528s) started
T12 << 1462343223.44480395 Communicate (9504.93447s) stopped
T12 << 1462343223.44484210 Hamiltonian (36327.09878s) stopped
T12 >> 1462343223.44486809 LCAO eigensolver (50984.26868s) started
T12 >> 1462343223.44488096 Potential matrix (759.91491s) started
T12 << 1462343224.43714595 Potential matrix (760.90717s) stopped
T12 >> 1462343224.43722010 DistributedAtomicCorrection (322.72494s) started
T12 << 1462343224.89749599 DistributedAtomicCorrection (323.18521s) stopped
T12 >> 1462343224.89755511 Distribute overlap matrix (5934.47052s) started
T12 >> 1462343224.89757705 blocked summation (3313.24879s) started
T12 << 1462343229.51909089 blocked summation (3317.87030s) stopped
T12 >> 1462343229.52863097 Scalapack redistribute (2613.57273s) started
T12 << 1462343233.44038701 Scalapack redistribute (2617.48449s) stopped
T12 << 1462343233.44046211 Distribute overlap matrix (5943.01343s) stopped
T12 >> 1462343233.44520211 Blacs Orbital Layouts (42581.07432s) started
T12 >> 1462343233.45395899 General diagonalize (42412.31397s) started
T12 << 1462343289.15485501 General diagonalize (42468.01487s) stopped
T12 >> 1462343289.15490198 Redistribute coefs (6.50296s) started
T12 << 1462343289.16216397 Redistribute coefs (6.51022s) stopped
T12 >> 1462343289.16226912 Send coefs to domains (155.13907s) started
T12 << 1462343289.27174211 Send coefs to domains (155.24854s) stopped
T12 << 1462343289.27210903 Blacs Orbital Layouts (42636.90123s) stopped
T12 >> 1462343289.27214003 Calculate projections (1382.24642s) started
T12 << 1462343291.04201698 Calculate projections (1384.01630s) stopped
T12 << 1462343291.04233289 LCAO eigensolver (51051.86614s) stopped
T12 >> 1462343294.14076304 Density (11975.23818s) started
T12 >> 1462343294.14077806 Pseudo density (9228.90300s) started
T12 >> 1462343294.14262795 Calculate density matrix (8664.44753s) started
T12 << 1462343306.20189595 Calculate density matrix (8676.50680s) stopped
T12 >> 1462343306.20194411 Construct density (549.81857s) started
T12 << 1462343306.98545599 Construct density (550.60208s) stopped
T12 >> 1462343307.00059390 Symmetrize density (0.06201s) started
T12 << 1462343307.00065088 Symmetrize density (0.06207s) stopped
T12 << 1462343307.00272703 Pseudo density (9241.76495s) stopped
T12 >> 1462343307.00278401 Atomic density matrices (2425.97979s) started
T12 << 1462343310.52657104 Atomic density matrices (2429.50358s) stopped
T12 >> 1462343310.52660489 Multipole moments (9.15197s) started
T12 << 1462343310.54218411 Multipole moments (9.16755s) stopped
T12 >> 1462343310.54221511 Normalize (4.91607s) started
T12 << 1462343310.54841495 Normalize (4.92227s) stopped
T12 >> 1462343310.54852009 Mix (306.22950s) started
T12 << 1462343310.97371793 Mix (306.65470s) stopped
T12 << 1462343310.97380304 Density (11992.07122s) stopped
T12 >> 1462343310.97383904 Hamiltonian (36327.09880s) started
T12 >> 1462343310.97385693 vbar (19.40664s) started
T12 << 1462343311.00612402 vbar (19.43890s) stopped
T12 >> 1462343311.00624204 XC 3D grid (20536.25039s) started
T12 >> 1462343311.53990889 van der Waals (19833.95575s) started
T12 >> 1462343311.64724994 semilocal (4191.38582s) started
T12 << 1462343317.41462398 semilocal (4197.15319s) stopped
T12 >> 1462343317.50608397 redistribute (2130.99397s) started
T12 << 1462343318.50094295 redistribute (2131.98883s) stopped
T12 >> 1462343318.50101089 libvdwxc nonlocal (13373.21798s) started
T12 << 1462343336.61625409 libvdwxc nonlocal (13391.33323s) stopped
T12 >> 1462343336.61631703 redistribute (2131.98889s) started
T12 << 1462343338.41241503 redistribute (2133.78499s) stopped
T12 << 1462343338.41338992 van der Waals (19860.82923s) stopped
T12 << 1462343338.88458800 XC 3D grid (20564.12874s) stopped
T12 >> 1462343338.88465190 Poisson (4259.06539s) started
T12 << 1462343343.20232511 Poisson (4263.38306s) stopped
T12 >> 1462343343.20244193 Hartree integrate/restrict (270.57105s) started
T12 << 1462343343.24423003 Hartree integrate/restrict (270.61284s) stopped
T12 >> 1462343343.24431109 Hartree integrate/restrict (270.61289s) started
T12 << 1462343343.56624603 Hartree integrate/restrict (270.93483s) stopped
T12 >> 1462343343.56633210 Atomic (1736.58747s) started
T12 >> 1462343343.56818891 XC Correction (0.02409s) started
T12 << 1462343343.56821394 XC Correction (0.02412s) stopped
T12 << 1462343345.95168495 Atomic (1738.97282s) stopped
T12 >> 1462343345.95185995 Communicate (9504.93450s) started
T12 << 1462343363.16530800 Communicate (9522.14795s) stopped
T12 << 1462343363.16534710 Hamiltonian (36379.29030s) stopped
T12 >> 1462343363.16537189 LCAO eigensolver (51051.86616s) started
T12 >> 1462343363.16538501 Potential matrix (760.90722s) started
T12 << 1462343364.14236403 Potential matrix (761.88420s) stopped
T12 >> 1462343364.14243793 DistributedAtomicCorrection (323.18525s) started
T12 << 1462343364.59589100 DistributedAtomicCorrection (323.63871s) stopped
T12 >> 1462343364.59595108 Distribute overlap matrix (5943.01344s) started
T12 >> 1462343364.59597301 blocked summation (3317.87035s) started
T12 << 1462343369.24756289 blocked summation (3322.52194s) stopped
T12 >> 1462343369.25717807 Scalapack redistribute (2617.48453s) started
T12 << 1462343373.12408400 Scalapack redistribute (2621.35143s) stopped
T12 << 1462343373.12415290 Distribute overlap matrix (5951.54164s) stopped
T12 >> 1462343373.12877893 Blacs Orbital Layouts (42636.90125s) started
T12 >> 1462343373.13767910 General diagonalize (42468.01490s) started
T12 << 1462343427.93513799 General diagonalize (42522.81236s) stopped
T12 >> 1462343427.93518496 Redistribute coefs (6.51031s) started
T12 << 1462343427.94216490 Redistribute coefs (6.51729s) stopped
T12 >> 1462343427.94227290 Send coefs to domains (155.24858s) started
T12 << 1462343428.06024289 Send coefs to domains (155.36655s) stopped
T12 << 1462343428.06057000 Blacs Orbital Layouts (42691.83304s) stopped
T12 >> 1462343428.06060195 Calculate projections (1384.01635s) started
T12 << 1462343429.82925200 Calculate projections (1385.78500s) stopped
T12 << 1462343429.82958889 LCAO eigensolver (51118.53038s) stopped
T12 >> 1462343432.89986205 Density (11992.07124s) started
T12 >> 1462343432.89987803 Pseudo density (9241.76500s) started
T12 >> 1462343432.90144205 Calculate density matrix (8676.50683s) started
T12 << 1462343446.04228902 Calculate density matrix (8689.64768s) stopped
T12 >> 1462343446.04233599 Construct density (550.60213s) started
T12 << 1462343446.82534504 Construct density (551.38514s) stopped
T12 >> 1462343446.83966494 Symmetrize density (0.06209s) started
T12 << 1462343446.83972192 Symmetrize density (0.06214s) stopped
T12 << 1462343446.84182096 Pseudo density (9255.70694s) stopped
T12 >> 1462343446.84187889 Atomic density matrices (2429.50360s) started
T12 << 1462343450.38343596 Atomic density matrices (2433.04516s) stopped
T12 >> 1462343450.38347006 Multipole moments (9.16757s) started
T12 << 1462343450.39900088 Multipole moments (9.18310s) stopped
T12 >> 1462343450.39903307 Normalize (4.92235s) started
T12 << 1462343450.40543389 Normalize (4.92875s) stopped
T12 >> 1462343450.40554595 Mix (306.65478s) started
T12 << 1462343450.85832310 Mix (307.10755s) stopped
T12 << 1462343450.85839605 Density (12010.02977s) stopped
T12 >> 1462343450.85842800 Hamiltonian (36379.29032s) started
T12 >> 1462343450.85844398 vbar (19.43898s) started
T12 << 1462343450.88277197 vbar (19.46330s) stopped
T12 >> 1462343450.88290906 XC 3D grid (20564.12879s) started
T12 >> 1462343451.38527799 van der Waals (19860.82925s) started
T12 >> 1462343451.49922800 semilocal (4197.15329s) started
T12 << 1462343457.26669598 semilocal (4202.92076s) stopped
T12 >> 1462343457.33778000 redistribute (2133.78504s) started
T12 << 1462343458.33886003 redistribute (2134.78612s) stopped
T12 >> 1462343458.33891106 libvdwxc nonlocal (13391.33328s) started
T12 << 1462343476.41626000 libvdwxc nonlocal (13409.41062s) stopped
T12 >> 1462343476.41634202 redistribute (2134.78616s) started
T12 << 1462343478.42473412 redistribute (2136.79455s) stopped
T12 << 1462343478.42578101 van der Waals (19887.86975s) stopped
T12 << 1462343478.89302111 XC 3D grid (20592.13891s) stopped
T12 >> 1462343478.89309096 Poisson (4263.38316s) started
T12 << 1462343483.24256396 Poisson (4267.73263s) stopped
T12 >> 1462343483.24265289 Hartree integrate/restrict (270.93487s) started
T12 << 1462343483.28143811 Hartree integrate/restrict (270.97365s) stopped
T12 >> 1462343483.28152704 Hartree integrate/restrict (270.97371s) started
T12 << 1462343483.64583993 Hartree integrate/restrict (271.33802s) stopped
T12 >> 1462343483.64593196 Atomic (1738.97284s) started
T12 >> 1462343483.64790010 XC Correction (0.02413s) started
T12 << 1462343483.64791894 XC Correction (0.02415s) stopped
T12 << 1462343486.03041792 Atomic (1741.35733s) stopped
T12 >> 1462343486.03060889 Communicate (9522.14797s) started
T12 << 1462343503.17010093 Communicate (9539.28747s) stopped
T12 << 1462343503.17014289 Hamiltonian (36431.60203s) stopped
T12 >> 1462343503.17017007 LCAO eigensolver (51118.53039s) started
T12 >> 1462343503.17018390 Potential matrix (761.88424s) started
T12 << 1462343504.14761496 Potential matrix (762.86167s) stopped
T12 >> 1462343504.14769697 DistributedAtomicCorrection (323.63875s) started
T12 << 1462343504.59672403 DistributedAtomicCorrection (324.08777s) stopped
T12 >> 1462343504.59678411 Distribute overlap matrix (5951.54165s) started
T12 >> 1462343504.59680796 blocked summation (3322.52199s) started
T12 << 1462343509.32586598 blocked summation (3327.25105s) stopped
T12 >> 1462343509.33574891 Scalapack redistribute (2621.35147s) started
T12 << 1462343513.12590408 Scalapack redistribute (2625.14162s) stopped
T12 << 1462343513.12600994 Distribute overlap matrix (5960.07088s) stopped
T12 >> 1462343513.13054991 Blacs Orbital Layouts (42691.83306s) started
T12 >> 1462343513.13911104 General diagonalize (42522.81240s) started
T12 << 1462343568.89858294 General diagonalize (42578.57188s) stopped
T12 >> 1462343568.89863801 Redistribute coefs (6.51737s) started
T12 << 1462343568.90667391 Redistribute coefs (6.52541s) stopped
T12 >> 1462343568.90676188 Send coefs to domains (155.36658s) started
T12 << 1462343569.00185394 Send coefs to domains (155.46167s) stopped
T12 << 1462343569.00236607 Blacs Orbital Layouts (42747.70488s) stopped
T12 >> 1462343569.00240111 Calculate projections (1385.78505s) started
T12 << 1462343570.78205109 Calculate projections (1387.56470s) stopped
T12 << 1462343570.78243208 LCAO eigensolver (51186.14266s) stopped
T12 >> 1462343573.83344197 Density (12010.02979s) started
T12 >> 1462343573.83345795 Pseudo density (9255.70699s) started
T12 >> 1462343573.83583999 Calculate density matrix (8689.64772s) started
T12 << 1462343585.79354501 Calculate density matrix (8701.60543s) stopped
T12 >> 1462343585.79360294 Construct density (551.38520s) started
T12 << 1462343586.57670212 Construct density (552.16829s) stopped
T12 >> 1462343586.59314203 Symmetrize density (0.06216s) started
T12 << 1462343586.59320903 Symmetrize density (0.06223s) stopped
T12 << 1462343586.59566903 Pseudo density (9268.46920s) stopped
T12 >> 1462343586.59573889 Atomic density matrices (2433.04518s) started
T12 << 1462343590.16407800 Atomic density matrices (2436.61352s) stopped
T12 >> 1462343590.16411495 Multipole moments (9.18311s) started
T12 << 1462343590.17990899 Multipole moments (9.19891s) stopped
T12 >> 1462343590.17994308 Normalize (4.92884s) started
T12 << 1462343590.18671703 Normalize (4.93561s) stopped
T12 >> 1462343590.18676710 Mix (307.10762s) started
T12 << 1462343590.61982894 Mix (307.54069s) stopped
T12 << 1462343590.61991191 Density (12026.81626s) stopped
T12 >> 1462343590.61994910 Hamiltonian (36431.60205s) started
T12 >> 1462343590.61996603 vbar (19.46338s) started
T12 << 1462343590.64818406 vbar (19.49160s) stopped
T12 >> 1462343590.64832306 XC 3D grid (20592.13896s) started
T12 >> 1462343591.13519597 van der Waals (19887.86978s) started
T12 >> 1462343591.24754596 semilocal (4202.92087s) started
T12 << 1462343597.01022696 semilocal (4208.68355s) stopped
T12 >> 1462343597.08900404 redistribute (2136.79462s) started
T12 << 1462343598.17002201 redistribute (2137.87563s) stopped
T12 >> 1462343598.17007494 libvdwxc nonlocal (13409.41069s) started
T12 << 1462343616.55127311 libvdwxc nonlocal (13427.79188s) stopped
T12 >> 1462343616.55134010 redistribute (2137.87567s) started
T12 << 1462343618.56801009 redistribute (2139.89234s) stopped
T12 << 1462343618.56906509 van der Waals (19915.30365s) stopped
T12 << 1462343619.03917599 XC 3D grid (20620.52981s) stopped
T12 >> 1462343619.03925109 Poisson (4267.73269s) started
T12 << 1462343623.50055790 Poisson (4272.19400s) stopped
T12 >> 1462343623.50062394 Hartree integrate/restrict (271.33806s) started
T12 << 1462343623.56029296 Hartree integrate/restrict (271.39773s) stopped
T12 >> 1462343623.56033301 Hartree integrate/restrict (271.39776s) started
T12 << 1462343623.85855794 Hartree integrate/restrict (271.69598s) stopped
T12 >> 1462343623.85864305 Atomic (1741.35735s) started
T12 >> 1462343623.86040306 XC Correction (0.02416s) started
T12 << 1462343623.86041689 XC Correction (0.02417s) stopped
T12 << 1462343626.25905490 Atomic (1743.75776s) stopped
T12 >> 1462343626.25922394 Communicate (9539.28749s) started
T12 << 1462343643.50038195 Communicate (9556.52865s) stopped
T12 << 1462343643.50042200 Hamiltonian (36484.48252s) stopped
T12 >> 1462343643.50044703 LCAO eigensolver (51186.14267s) started
T12 >> 1462343643.50045991 Potential matrix (762.86172s) started
T12 << 1462343644.47786188 Potential matrix (763.83912s) stopped
T12 >> 1462343644.47793508 DistributedAtomicCorrection (324.08781s) started
T12 << 1462343644.93667603 DistributedAtomicCorrection (324.54655s) stopped
T12 >> 1462343644.93673491 Distribute overlap matrix (5960.07089s) started
T12 >> 1462343644.93675709 blocked summation (3327.25109s) started
T12 << 1462343649.67345810 blocked summation (3331.98779s) stopped
T12 >> 1462343649.68384099 Scalapack redistribute (2625.14170s) started
T12 << 1462343653.50704408 Scalapack redistribute (2628.96490s) stopped
T12 << 1462343653.50712895 Distribute overlap matrix (5968.64129s) stopped
T12 >> 1462343653.51167989 Blacs Orbital Layouts (42747.70490s) started
T12 >> 1462343653.52037692 General diagonalize (42578.57192s) started
T12 << 1462343708.52958393 General diagonalize (42633.58113s) stopped
T12 >> 1462343708.52962995 Redistribute coefs (6.52548s) started
T12 << 1462343708.53699493 Redistribute coefs (6.53284s) stopped
T12 >> 1462343708.53710794 Send coefs to domains (155.46171s) started
T12 << 1462343708.84623003 Send coefs to domains (155.77083s) stopped
T12 << 1462343708.84655190 Blacs Orbital Layouts (42803.03977s) stopped
T12 >> 1462343708.84658289 Calculate projections (1387.56475s) started
T12 << 1462343710.61394405 Calculate projections (1389.33211s) stopped
T12 << 1462343710.61428809 LCAO eigensolver (51253.25652s) stopped
T12 >> 1462343713.70602202 Density (12026.81627s) started
T12 >> 1462343713.70603704 Pseudo density (9268.46925s) started
T12 >> 1462343713.70797896 Calculate density matrix (8701.60547s) started
T12 << 1462343725.71787906 Calculate density matrix (8713.61537s) stopped
T12 >> 1462343725.71792698 Construct density (552.16835s) started
T12 << 1462343726.50214505 Construct density (552.95257s) stopped
T12 >> 1462343726.51636910 Symmetrize density (0.06225s) started
T12 << 1462343726.51643395 Symmetrize density (0.06231s) stopped
T12 << 1462343726.51851010 Pseudo density (9281.28173s) stopped
T12 >> 1462343726.51856494 Atomic density matrices (2436.61355s) started
T12 << 1462343730.07659292 Atomic density matrices (2440.17158s) stopped
T12 >> 1462343730.07662606 Multipole moments (9.19892s) started
T12 << 1462343730.09224391 Multipole moments (9.21454s) stopped
T12 >> 1462343730.09227490 Normalize (4.93565s) started
T12 << 1462343730.09854507 Normalize (4.94192s) stopped
T12 >> 1462343730.09865904 Mix (307.54077s) started
T12 << 1462343730.50149894 Mix (307.94361s) stopped
T12 << 1462343730.50155997 Density (12043.61181s) stopped
T12 >> 1462343730.50158811 Hamiltonian (36484.48253s) started
T12 >> 1462343730.50160193 vbar (19.49168s) started
T12 << 1462343730.52449298 vbar (19.51457s) stopped
T12 >> 1462343730.52458310 XC 3D grid (20620.52988s) started
T12 >> 1462343731.14574599 van der Waals (19915.30368s) started
T12 >> 1462343731.25388098 semilocal (4208.68364s) started
T12 << 1462343737.02742100 semilocal (4214.45718s) stopped
T12 >> 1462343737.10610509 redistribute (2139.89241s) started
T12 << 1462343738.13571310 redistribute (2140.92201s) stopped
T12 >> 1462343738.13579392 libvdwxc nonlocal (13427.79194s) started
T12 << 1462343756.76917505 libvdwxc nonlocal (13446.42532s) stopped
T12 >> 1462343756.76923800 redistribute (2140.92207s) started
T12 << 1462343758.47114396 redistribute (2142.62397s) stopped
T12 << 1462343758.47225595 van der Waals (19942.63019s) stopped
T12 << 1462343758.94508910 XC 3D grid (20648.95038s) stopped
T12 >> 1462343758.94515204 Poisson (4272.19405s) started
T12 << 1462343763.32080197 Poisson (4276.56970s) stopped
T12 >> 1462343763.32086992 Hartree integrate/restrict (271.69603s) started
T12 << 1462343763.37114811 Hartree integrate/restrict (271.74631s) stopped
T12 >> 1462343763.37120295 Hartree integrate/restrict (271.74634s) started
T12 << 1462343763.67801189 Hartree integrate/restrict (272.05315s) stopped
T12 >> 1462343763.67808008 Atomic (1743.75779s) started
T12 >> 1462343763.67980790 XC Correction (0.02418s) started
T12 << 1462343763.67982292 XC Correction (0.02420s) stopped
T12 << 1462343766.07323503 Atomic (1746.15294s) stopped
T12 >> 1462343766.07339406 Communicate (9556.52868s) started
T12 << 1462343783.25331712 Communicate (9573.70860s) stopped
T12 << 1462343783.25335312 Hamiltonian (36537.23430s) stopped
T12 >> 1462343783.25337911 LCAO eigensolver (51253.25653s) started
T12 >> 1462343783.25339198 Potential matrix (763.83917s) started
T12 << 1462343784.23402500 Potential matrix (764.81980s) stopped
T12 >> 1462343784.23409605 DistributedAtomicCorrection (324.54659s) started
T12 << 1462343784.69169593 DistributedAtomicCorrection (325.00419s) stopped
T12 >> 1462343784.69175410 Distribute overlap matrix (5968.64130s) started
T12 >> 1462343784.69177604 blocked summation (3331.98784s) started
T12 << 1462343789.45354104 blocked summation (3336.74961s) stopped
T12 >> 1462343789.46301103 Scalapack redistribute (2628.96496s) started
T12 << 1462343793.17737007 Scalapack redistribute (2632.67931s) stopped
T12 << 1462343793.17747211 Distribute overlap matrix (5977.12702s) stopped
T12 >> 1462343793.18170404 Blacs Orbital Layouts (42803.03979s) started
T12 >> 1462343793.19011903 General diagonalize (42633.58116s) started
T12 << 1462343846.85460091 General diagonalize (42687.24565s) stopped
T12 >> 1462343846.85464692 Redistribute coefs (6.53294s) started
T12 << 1462343846.86214995 Redistribute coefs (6.54044s) stopped
T12 >> 1462343846.86225605 Send coefs to domains (155.77086s) started
T12 << 1462343846.95995402 Send coefs to domains (155.86856s) stopped
T12 << 1462343846.96035004 Blacs Orbital Layouts (42856.81843s) stopped
T12 >> 1462343846.96038103 Calculate projections (1389.33216s) started
T12 << 1462343848.72877407 Calculate projections (1391.10056s) stopped
T12 << 1462343848.72912693 LCAO eigensolver (51318.73228s) stopped
T12 >> 1462343851.83512211 Density (12043.61182s) started
T12 >> 1462343851.83513689 Pseudo density (9281.28177s) started
T12 >> 1462343851.83671188 Calculate density matrix (8713.61540s) started
T12 << 1462343863.70598412 Calculate density matrix (8725.48467s) stopped
T12 >> 1462343863.70603108 Construct density (552.95262s) started
T12 << 1462343864.48974109 Construct density (553.73633s) stopped
T12 >> 1462343864.50495005 Symmetrize density (0.06233s) started
T12 << 1462343864.50501204 Symmetrize density (0.06239s) stopped
T12 << 1462343864.50709105 Pseudo density (9293.95372s) stopped
T12 >> 1462343864.50714898 Atomic density matrices (2440.17160s) started
T12 << 1462343868.05980992 Atomic density matrices (2443.72426s) stopped
T12 >> 1462343868.05984497 Multipole moments (9.21456s) started
T12 << 1462343868.07551098 Multipole moments (9.23023s) stopped
T12 >> 1462343868.07554197 Normalize (4.94201s) started
T12 << 1462343868.08184910 Normalize (4.94832s) stopped
T12 >> 1462343868.08193994 Mix (307.94367s) started
T12 << 1462343868.49829102 Mix (308.36002s) stopped
T12 << 1462343868.49833894 Density (12060.27504s) stopped
T12 >> 1462343868.49836397 Hamiltonian (36537.23431s) started
T12 >> 1462343868.49837804 vbar (19.51463s) started
T12 << 1462343868.52086401 vbar (19.53711s) stopped
T12 >> 1462343868.52096009 XC 3D grid (20648.95043s) started
T12 >> 1462343869.03117204 van der Waals (19942.63021s) started
T12 >> 1462343869.14261007 semilocal (4214.45727s) started
T12 << 1462343874.93042803 semilocal (4220.24508s) stopped
T12 >> 1462343875.00333309 redistribute (2142.62403s) started
T12 << 1462343876.00464606 redistribute (2143.62534s) stopped
T12 >> 1462343876.00469995 libvdwxc nonlocal (13446.42537s) started
T12 << 1462343894.74417496 libvdwxc nonlocal (13465.16484s) stopped
T12 >> 1462343894.74423599 redistribute (2143.62537s) started
T12 << 1462343896.40524507 redistribute (2145.28638s) stopped
T12 << 1462343896.40631700 van der Waals (19970.00536s) stopped
T12 << 1462343896.88399196 XC 3D grid (20677.31347s) stopped
T12 >> 1462343896.88403392 Poisson (4276.56975s) started
T12 << 1462343901.26828289 Poisson (4280.95399s) stopped
T12 >> 1462343901.26835299 Hartree integrate/restrict (272.05318s) started
T12 << 1462343901.31907701 Hartree integrate/restrict (272.10390s) stopped
T12 >> 1462343901.31912804 Hartree integrate/restrict (272.10393s) started
T12 << 1462343901.63625312 Hartree integrate/restrict (272.42106s) stopped
T12 >> 1462343901.63636994 Atomic (1746.15297s) started
T12 >> 1462343901.63809299 XC Correction (0.02421s) started
T12 << 1462343901.63810802 XC Correction (0.02422s) stopped
T12 << 1462343904.02131200 Atomic (1748.53791s) stopped
T12 >> 1462343904.02146792 Communicate (9573.70862s) started
T12 << 1462343921.38857388 Communicate (9591.07573s) stopped
T12 << 1462343921.38861203 Hamiltonian (36590.12456s) stopped
T12 >> 1462343921.38863707 LCAO eigensolver (51318.73230s) started
T12 >> 1462343921.38865089 Potential matrix (764.81984s) started
T12 << 1462343922.36522794 Potential matrix (765.79642s) stopped
T12 >> 1462343922.36529803 DistributedAtomicCorrection (325.00423s) started
T12 << 1462343922.82684398 DistributedAtomicCorrection (325.46578s) stopped
T12 >> 1462343922.82690310 Distribute overlap matrix (5977.12703s) started
T12 >> 1462343922.82692504 blocked summation (3336.74966s) started
T12 << 1462343927.48867989 blocked summation (3341.41141s) stopped
T12 >> 1462343927.49866104 Scalapack redistribute (2632.67937s) started
T12 << 1462343931.36378098 Scalapack redistribute (2636.54449s) stopped
T12 << 1462343931.36384702 Distribute overlap matrix (5985.66397s) stopped
T12 >> 1462343931.36805201 Blacs Orbital Layouts (42856.81845s) started
T12 >> 1462343931.37673593 General diagonalize (42687.24568s) started
T12 << 1462343984.68871593 General diagonalize (42740.55766s) stopped
T12 >> 1462343984.68876195 Redistribute coefs (6.54052s) started
T12 << 1462343984.69583106 Redistribute coefs (6.54759s) stopped
T12 >> 1462343984.69598389 Send coefs to domains (155.86860s) started
T12 << 1462343984.83135700 Send coefs to domains (156.00397s) stopped
T12 << 1462343984.83169699 Blacs Orbital Layouts (42910.28210s) stopped
T12 >> 1462343984.83172989 Calculate projections (1391.10061s) started
T12 << 1462343986.60042691 Calculate projections (1392.86930s) stopped
T12 << 1462343986.60077691 LCAO eigensolver (51383.94444s) stopped
T12 >> 1462343989.66978693 Density (12060.27505s) started
T12 >> 1462343989.66980290 Pseudo density (9293.95377s) started
T12 >> 1462343989.67142701 Calculate density matrix (8725.48471s) started
T12 << 1462344001.80477190 Calculate density matrix (8737.61805s) stopped
T12 >> 1462344001.80482292 Construct density (553.73638s) started
T12 << 1462344002.58867788 Construct density (554.52024s) stopped
T12 >> 1462344002.60379410 Symmetrize density (0.06240s) started
T12 << 1462344002.60385704 Symmetrize density (0.06247s) stopped
T12 << 1462344002.60593009 Pseudo density (9306.88990s) stopped
T12 >> 1462344002.60598612 Atomic density matrices (2443.72429s) started
T12 << 1462344006.13330293 Atomic density matrices (2447.25160s) stopped
T12 >> 1462344006.13333702 Multipole moments (9.23024s) started
T12 << 1462344006.14896107 Multipole moments (9.24587s) stopped
T12 >> 1462344006.14899397 Normalize (4.94839s) started
T12 << 1462344006.15526390 Normalize (4.95466s) stopped
T12 >> 1462344006.15534902 Mix (308.36006s) started
T12 << 1462344006.57133102 Mix (308.77605s) stopped
T12 << 1462344006.57139897 Density (12077.17666s) stopped
T12 >> 1462344006.57142806 Hamiltonian (36590.12457s) started
T12 >> 1462344006.57144403 vbar (19.53717s) started
T12 << 1462344006.59105301 vbar (19.55678s) stopped
T12 >> 1462344006.59113002 XC 3D grid (20677.31350s) started
T12 >> 1462344007.10398698 van der Waals (19970.00538s) started
T12 >> 1462344007.21285009 semilocal (4220.24515s) started
T12 << 1462344012.99947810 semilocal (4226.03178s) stopped
T12 >> 1462344013.07975292 redistribute (2145.28644s) started
T12 << 1462344014.09999108 redistribute (2146.30668s) stopped
T12 >> 1462344014.10004497 libvdwxc nonlocal (13465.16489s) started
T12 << 1462344033.13308811 libvdwxc nonlocal (13484.19793s) stopped
T12 >> 1462344033.13315296 redistribute (2146.30671s) started
T12 << 1462344034.80181003 redistribute (2147.97537s) stopped
T12 << 1462344034.80274391 van der Waals (19997.70414s) stopped
T12 << 1462344035.27193904 XC 3D grid (20705.99431s) stopped
T12 >> 1462344035.27198195 Poisson (4280.95405s) started
T12 << 1462344039.73976588 Poisson (4285.42183s) stopped
T12 >> 1462344039.73982000 Hartree integrate/restrict (272.42113s) started
T12 << 1462344039.80207610 Hartree integrate/restrict (272.48338s) stopped
T12 >> 1462344039.80212688 Hartree integrate/restrict (272.48341s) started
T12 << 1462344040.17740607 Hartree integrate/restrict (272.85869s) stopped
T12 >> 1462344040.17748904 Atomic (1748.53793s) started
T12 >> 1462344040.17936110 XC Correction (0.02424s) started
T12 << 1462344040.17938209 XC Correction (0.02426s) stopped
T12 << 1462344042.55118394 Atomic (1750.91163s) stopped
T12 >> 1462344042.55134201 Communicate (9591.07575s) started
T12 << 1462344059.93930697 Communicate (9608.46372s) stopped
T12 << 1462344059.93934393 Hamiltonian (36643.49249s) stopped
T12 >> 1462344059.93936896 LCAO eigensolver (51383.94446s) started
T12 >> 1462344059.93938208 Potential matrix (765.79646s) started
T12 << 1462344060.91587591 Potential matrix (766.77295s) stopped
T12 >> 1462344060.91594601 DistributedAtomicCorrection (325.46582s) started
T12 << 1462344061.37792110 DistributedAtomicCorrection (325.92779s) stopped
T12 >> 1462344061.37797999 Distribute overlap matrix (5985.66398s) started
T12 >> 1462344061.37800288 blocked summation (3341.41146s) started
T12 << 1462344066.22505403 blocked summation (3346.25851s) stopped
T12 >> 1462344066.23463392 Scalapack redistribute (2636.54453s) started
T12 << 1462344069.89850307 Scalapack redistribute (2640.20839s) stopped
T12 << 1462344069.89860606 Distribute overlap matrix (5994.18461s) stopped
T12 >> 1462344069.90261507 Blacs Orbital Layouts (42910.28212s) started
T12 >> 1462344069.91114902 General diagonalize (42740.55770s) started
T12 << 1462344124.09080601 General diagonalize (42794.73736s) stopped
T12 >> 1462344124.09085488 Redistribute coefs (6.54771s) started
T12 << 1462344124.09804511 Redistribute coefs (6.55490s) stopped
T12 >> 1462344124.09813499 Send coefs to domains (156.00400s) started
T12 << 1462344124.18920994 Send coefs to domains (156.09508s) stopped
T12 << 1462344124.18954992 Blacs Orbital Layouts (42964.56905s) stopped
T12 >> 1462344124.18958092 Calculate projections (1392.86935s) started
T12 << 1462344125.95808101 Calculate projections (1394.63785s) stopped
T12 << 1462344125.95841908 LCAO eigensolver (51449.96351s) stopped
T12 << 1462344129.02919412 SCF-cycle (102672.40192s) stopped
T12 >> 1462344131.14634991 Force calculation (4819.23497s) started
T12 >> 1462344131.14644098 LCAO forces (4767.09081s) started
T12 >> 1462344131.14680696 Initial (0.00138s) started
T12 << 1462344131.14681792 Initial (0.00139s) stopped
T12 >> 1462344131.15360999 Get density matrix (2479.56734s) started
T12 << 1462344140.31021905 Get density matrix (2488.72395s) stopped
T12 >> 1462344140.31028605 Potential (375.45938s) started
T12 << 1462344146.57632494 Potential (381.72542s) stopped
T12 >> 1462344146.57638407 Get density matrix (2488.72400s) started
T12 << 1462344178.27134609 Get density matrix (2520.41897s) stopped
T12 >> 1462344178.27140403 Prepare TCI loop (133.46245s) started
T12 >> 1462344178.27196288 Get neighbors (118.96311s) started
T12 << 1462344180.21044207 Get neighbors (120.90158s) stopped
T12 >> 1462344180.21108890 broadcast dH (14.42761s) started
T12 << 1462344180.54293990 broadcast dH (14.75946s) stopped
T12 << 1462344180.54298210 Prepare TCI loop (135.73402s) stopped
T12 >> 1462344180.54300094 Not so complicated loop (7.27928s) started
T12 << 1462344180.66120291 Not so complicated loop (7.39748s) stopped
T12 >> 1462344180.77923608 Complicated loop (1154.12310s) started
T12 << 1462344200.27799392 Complicated loop (1173.62186s) stopped
T12 >> 1462344200.27940893 Wait for sum (609.36115s) started
T12 << 1462344211.87507200 Wait for sum (620.95682s) stopped
T12 << 1462344211.87510800 LCAO forces (4847.81947s) stopped
T12 << 1462344212.70318198 Force calculation (4900.79180s) stopped
T12 >> 1462344212.72117996 Initialization (8065.37344s) started
T12 << 1462344212.72135401 Initialization (8065.37362s) stopped
T12 >> 1462344212.72157907 Initialization (8065.37363s) started
T12 << 1462344212.72174406 Initialization (8065.37380s) stopped
T12 >> 1462344212.72189093 Initialization (8065.37381s) started
T12 << 1462344212.72202611 Initialization (8065.37395s) stopped
T12 >> 1462344233.01081896 Initialization (8065.37397s) started
T12 >> 1462344233.11962199 Basic WFS set positions (5.49325s) started
T12 >> 1462344233.11964607 Redistribute (0.01589s) started
T12 << 1462344233.11977696 Redistribute (0.01602s) stopped
T12 << 1462344233.20942402 Basic WFS set positions (5.58305s) stopped
T12 >> 1462344233.20945311 Basis functions set positions (115.73543s) started
T12 << 1462344235.13642406 Basis functions set positions (117.66240s) stopped
T12 >> 1462344235.13698006 TCI: Calculate S, T, P (956.37176s) started
T12 << 1462344251.13205409 TCI: Calculate S, T, P (972.36684s) stopped
T12 >> 1462344251.13210893 blocked summation (1578.99704s) started
T12 << 1462344281.51558304 blocked summation (1609.38051s) stopped
T12 >> 1462344281.52511692 Scalapack redistribute (570.22945s) started
T12 << 1462344292.87827897 Scalapack redistribute (581.58261s) stopped
T12 >> 1462344292.87931895 blocked summation (1609.38054s) started
T12 << 1462344293.86240911 blocked summation (1610.36363s) stopped
T12 >> 1462344293.87244701 Scalapack redistribute (581.58268s) started
T12 << 1462344294.17494988 Scalapack redistribute (581.88518s) stopped
T12 >> 1462344294.17670989 Redistribute (0.12086s) started
T12 << 1462344294.17722797 Redistribute (0.12138s) stopped
T12 >> 1462344295.95216489 Redistribute (0.12140s) started
T12 << 1462344295.95268393 Redistribute (0.12192s) stopped
T12 >> 1462344295.96684909 LCAO WFS Initialize (4716.75914s) started
T12 >> 1462344295.96689391 Density initialize from wavefunctions (890.18629s) started
T12 >> 1462344295.97259808 Calculate density matrix (614.23294s) started
T12 << 1462344305.79129910 Calculate density matrix (624.05164s) stopped
T12 >> 1462344305.79134798 Construct density (47.03676s) started
T12 << 1462344306.57403302 Construct density (47.81945s) stopped
T12 >> 1462344306.58781791 Symmetrize density (0.00512s) started
T12 << 1462344306.58787394 Symmetrize density (0.00518s) stopped
T12 << 1462344310.47816992 Density initialize from wavefunctions (904.69756s) stopped
T12 >> 1462344310.47844410 Hamiltonian (3825.63933s) started
T12 >> 1462344310.47846198 vbar (1.75482s) started
T12 << 1462344310.50454807 vbar (1.78091s) stopped
T12 >> 1462344310.50469708 XC 3D grid (1792.66661s) started
T12 >> 1462344311.00375509 van der Waals (1731.66343s) started
T12 >> 1462344311.11545706 semilocal (364.79629s) started
T12 << 1462344316.93612194 semilocal (370.61696s) stopped
T12 >> 1462344317.01009297 redistribute (195.86741s) started
T12 << 1462344317.95963407 redistribute (196.81695s) stopped
T12 >> 1462344317.95968103 libvdwxc nonlocal (1158.92284s) started
T12 << 1462344336.58944201 libvdwxc nonlocal (1177.55260s) stopped
T12 >> 1462344336.58948708 redistribute (196.81698s) started
T12 << 1462344338.33906603 redistribute (198.56656s) stopped
T12 << 1462344338.34012890 van der Waals (1758.99980s) stopped
T12 << 1462344338.80286407 XC 3D grid (1820.96478s) stopped
T12 >> 1462344338.80291891 Poisson (896.57444s) started
T12 << 1462344350.40812707 Poisson (908.17965s) stopped
T12 >> 1462344350.40826988 Hartree integrate/restrict (23.55551s) started
T12 << 1462344350.46104503 Hartree integrate/restrict (23.60829s) stopped
T12 >> 1462344350.46111703 Hartree integrate/restrict (23.60834s) started
T12 << 1462344350.80315089 Hartree integrate/restrict (23.95037s) stopped
T12 >> 1462344350.80325198 Atomic (149.48746s) started
T12 >> 1462344350.80539393 XC Correction (0.00229s) started
T12 << 1462344350.80541110 XC Correction (0.00231s) stopped
T12 << 1462344353.18592691 Atomic (151.87013s) stopped
T12 >> 1462344353.18609691 Communicate (961.54978s) started
T12 << 1462344371.74401498 Communicate (980.10770s) stopped
T12 << 1462344371.74405193 Hamiltonian (3886.90494s) stopped
T12 << 1462344371.74406695 LCAO WFS Initialize (4792.53636s) stopped
T12 << 1462344371.75630903 Initialization (8204.11946s) stopped
T12 >> 1462344371.78260493 SCF-cycle (102672.40194s) started
T12 >> 1462344371.78263998 LCAO eigensolver (51449.96353s) started
T12 >> 1462344371.78265309 Potential matrix (766.77300s) started
T12 << 1462344372.75999689 Potential matrix (767.75034s) stopped
T12 >> 1462344372.76006699 DistributedAtomicCorrection (325.92783s) started
T12 << 1462344373.21206188 DistributedAtomicCorrection (326.37983s) stopped
T12 >> 1462344373.21210790 Distribute overlap matrix (5994.18462s) started
T12 >> 1462344373.21213508 blocked summation (3346.25854s) started
T12 << 1462344377.90284204 blocked summation (3350.94925s) stopped
T12 >> 1462344377.91260600 Scalapack redistribute (2640.20845s) started
T12 << 1462344381.50426793 Scalapack redistribute (2643.80012s) stopped
T12 << 1462344381.50434399 Distribute overlap matrix (6002.47686s) stopped
T12 >> 1462344381.50854707 Blacs Orbital Layouts (42964.56907s) started
T12 >> 1462344381.51712298 General diagonalize (42794.73740s) started
T12 << 1462344437.24432898 General diagonalize (42850.46460s) stopped
T12 >> 1462344437.24438190 Redistribute coefs (6.55497s) started
T12 << 1462344437.25338507 Redistribute coefs (6.56398s) stopped
T12 >> 1462344437.25343299 Send coefs to domains (156.09511s) started
T12 << 1462344437.35082603 Send coefs to domains (156.19251s) stopped
T12 << 1462344437.35130191 Blacs Orbital Layouts (43020.41183s) stopped
T12 >> 1462344437.35133290 Calculate projections (1394.63790s) started
T12 << 1462344439.13020205 Calculate projections (1396.41677s) stopped
T12 << 1462344439.13066912 LCAO eigensolver (51517.31156s) stopped
T12 >> 1462344442.18052006 Density (12077.17668s) started
T12 >> 1462344442.18053603 Pseudo density (9306.88994s) started
T12 >> 1462344442.18274498 Calculate density matrix (8737.61809s) started
T12 << 1462344454.14182091 Calculate density matrix (8749.57717s) stopped
T12 >> 1462344454.14188004 Construct density (554.52029s) started
T12 << 1462344454.92750192 Construct density (555.30591s) stopped
T12 >> 1462344454.94361806 Symmetrize density (0.06249s) started
T12 << 1462344454.94369698 Symmetrize density (0.06256s) stopped
T12 << 1462344454.94619203 Pseudo density (9319.65560s) stopped
T12 >> 1462344454.94625902 Atomic density matrices (2447.25163s) started
T12 << 1462344458.47199702 Atomic density matrices (2450.77737s) stopped
T12 >> 1462344458.47203302 Multipole moments (9.24588s) started
T12 << 1462344458.48773003 Multipole moments (9.26158s) stopped
T12 >> 1462344458.48775506 Normalize (4.95473s) started
T12 << 1462344458.49425912 Normalize (4.96123s) stopped
T12 >> 1462344458.49430490 Mix (308.77611s) started
T12 << 1462344458.85217309 Mix (309.13398s) stopped
T12 << 1462344458.85225010 Density (12093.84841s) stopped
T12 >> 1462344458.85228491 Hamiltonian (36643.49250s) started
T12 >> 1462344458.85230207 vbar (19.55682s) started
T12 << 1462344458.88000989 vbar (19.58453s) stopped
T12 >> 1462344458.88010907 XC 3D grid (20705.99434s) started
T12 >> 1462344459.43401790 van der Waals (19997.70416s) started
T12 >> 1462344459.54876804 semilocal (4226.03191s) started
T12 << 1462344465.32503295 semilocal (4231.80818s) stopped
T12 >> 1462344465.39955902 redistribute (2147.97543s) started
T12 << 1462344466.41226411 redistribute (2148.98813s) stopped
T12 >> 1462344466.41233802 libvdwxc nonlocal (13484.19798s) started
T12 << 1462344484.97395897 libvdwxc nonlocal (13502.75960s) stopped
T12 >> 1462344484.97404003 redistribute (2148.98819s) started
T12 << 1462344487.08642006 redistribute (2151.10057s) stopped
T12 << 1462344487.08759689 van der Waals (20025.35774s) stopped
T12 << 1462344487.55345702 XC 3D grid (20734.66769s) stopped
T12 >> 1462344487.55350399 Poisson (4285.42187s) started
T12 << 1462344491.96339703 Poisson (4289.83176s) stopped
T12 >> 1462344491.96348500 Hartree integrate/restrict (272.85873s) started
T12 << 1462344492.00179601 Hartree integrate/restrict (272.89704s) stopped
T12 >> 1462344492.00194407 Hartree integrate/restrict (272.89713s) started
T12 << 1462344492.38946891 Hartree integrate/restrict (273.28466s) stopped
T12 >> 1462344492.38959789 Atomic (1750.91166s) started
T12 >> 1462344492.39162397 XC Correction (0.02427s) started
T12 << 1462344492.39164090 XC Correction (0.02428s) stopped
T12 << 1462344494.77093410 Atomic (1753.29299s) stopped
T12 >> 1462344494.77113199 Communicate (9608.46374s) started
T12 << 1462344513.32222295 Communicate (9627.01483s) stopped
T12 << 1462344513.32226491 Hamiltonian (36697.96248s) stopped
T12 >> 1462344513.32229209 LCAO eigensolver (51517.31158s) started
T12 >> 1462344513.32230496 Potential matrix (767.75038s) started
T12 << 1462344514.31502199 Potential matrix (768.74310s) stopped
T12 >> 1462344514.31511807 DistributedAtomicCorrection (326.37987s) started
T12 << 1462344514.77669811 DistributedAtomicCorrection (326.84145s) stopped
T12 >> 1462344514.77674699 Distribute overlap matrix (6002.47687s) started
T12 >> 1462344514.77677608 blocked summation (3350.94930s) started
T12 << 1462344519.46355605 blocked summation (3355.63608s) stopped
T12 >> 1462344519.47433400 Scalapack redistribute (2643.80015s) started
T12 << 1462344523.04400301 Scalapack redistribute (2647.36982s) stopped
T12 << 1462344523.04411697 Distribute overlap matrix (6010.74424s) stopped
T12 >> 1462344523.04929590 Blacs Orbital Layouts (43020.41185s) started
T12 >> 1462344523.05856204 General diagonalize (42850.46465s) started
T12 << 1462344578.90537810 General diagonalize (42906.31146s) stopped
T12 >> 1462344578.90542889 Redistribute coefs (6.56401s) started
T12 << 1462344578.91427898 Redistribute coefs (6.57286s) stopped
T12 >> 1462344578.91433311 Send coefs to domains (156.19255s) started
T12 << 1462344579.01250291 Send coefs to domains (156.29072s) stopped
T12 << 1462344579.01288795 Blacs Orbital Layouts (43076.37544s) stopped
T12 >> 1462344579.01291895 Calculate projections (1396.41682s) started
T12 << 1462344580.79744101 Calculate projections (1398.20134s) stopped
T12 << 1462344580.79786897 LCAO eigensolver (51584.78715s) stopped
T12 >> 1462344583.84850001 Density (12093.84842s) started
T12 >> 1462344583.84851599 Pseudo density (9319.65565s) started
T12 >> 1462344583.85055494 Calculate density matrix (8749.57721s) started
T12 << 1462344595.74271989 Calculate density matrix (8761.46937s) stopped
T12 >> 1462344595.74277711 Construct density (555.30597s) started
T12 << 1462344596.52906394 Construct density (556.09225s) stopped
T12 >> 1462344596.54626107 Symmetrize density (0.06259s) started
T12 << 1462344596.54633808 Symmetrize density (0.06266s) stopped
T12 << 1462344596.54879498 Pseudo density (9332.35593s) stopped
T12 >> 1462344596.54887295 Atomic density matrices (2450.77739s) started
T12 << 1462344600.00222492 Atomic density matrices (2454.23075s) stopped
T12 >> 1462344600.00226498 Multipole moments (9.26160s) started
T12 << 1462344600.01809597 Multipole moments (9.27743s) stopped
T12 >> 1462344600.01812291 Normalize (4.96127s) started
T12 << 1462344600.02497101 Normalize (4.96811s) stopped
T12 >> 1462344600.02502203 Mix (309.13405s) started
T12 << 1462344600.39908099 Mix (309.50811s) stopped
T12 << 1462344600.39914489 Density (12110.39907s) stopped
T12 >> 1462344600.39917898 Hamiltonian (36697.96249s) started
T12 >> 1462344600.39919496 vbar (19.58459s) started
T12 << 1462344600.43281198 vbar (19.61821s) stopped
T12 >> 1462344600.43294907 XC 3D grid (20734.66773s) started
T12 >> 1462344600.91000605 van der Waals (20025.35777s) started
T12 >> 1462344601.02333212 semilocal (4231.80825s) started
T12 << 1462344606.83926606 semilocal (4237.62418s) stopped
T12 >> 1462344606.91165900 redistribute (2151.10063s) started
T12 << 1462344607.85389590 redistribute (2152.04287s) stopped
T12 >> 1462344607.85394597 libvdwxc nonlocal (13502.75966s) started
T12 << 1462344625.90270495 libvdwxc nonlocal (13520.80842s) stopped
T12 >> 1462344625.90278411 redistribute (2152.04291s) started
T12 << 1462344627.88202500 redistribute (2154.02215s) stopped
T12 << 1462344627.88321900 van der Waals (20052.33098s) stopped
T12 << 1462344628.34276199 XC 3D grid (20762.57754s) stopped
T12 >> 1462344628.34281206 Poisson (4289.83182s) started
T12 << 1462344634.15460491 Poisson (4295.64361s) stopped
T12 >> 1462344634.15471601 Hartree integrate/restrict (273.28474s) started
T12 << 1462344634.19236398 Hartree integrate/restrict (273.32238s) stopped
T12 >> 1462344634.19244003 Hartree integrate/restrict (273.32243s) started
T12 << 1462344634.55345702 Hartree integrate/restrict (273.68345s) stopped
T12 >> 1462344634.55353999 Atomic (1753.29302s) started
T12 >> 1462344634.55544090 XC Correction (0.02430s) started
T12 << 1462344634.55545807 XC Correction (0.02431s) stopped
T12 << 1462344636.91465306 Atomic (1755.65413s) stopped
T12 >> 1462344636.91485095 Communicate (9627.01486s) started
T12 << 1462344655.53728199 Communicate (9645.63729s) stopped
T12 << 1462344655.53732491 Hamiltonian (36753.10064s) stopped
T12 >> 1462344655.53735209 LCAO eigensolver (51584.78717s) started
T12 >> 1462344655.53736591 Potential matrix (768.74315s) started
T12 << 1462344656.51661801 Potential matrix (769.72240s) stopped
T12 >> 1462344656.51671004 DistributedAtomicCorrection (326.84148s) started
T12 << 1462344656.97924399 DistributedAtomicCorrection (327.30402s) stopped
T12 >> 1462344656.97929311 Distribute overlap matrix (6010.74425s) started
T12 >> 1462344656.97932291 blocked summation (3355.63613s) started
T12 << 1462344661.78291798 blocked summation (3360.43973s) stopped
T12 >> 1462344661.79236603 Scalapack redistribute (2647.36988s) started
T12 << 1462344665.27553892 Scalapack redistribute (2650.85305s) stopped
T12 << 1462344665.27564597 Distribute overlap matrix (6019.04061s) stopped
T12 >> 1462344665.28011394 Blacs Orbital Layouts (43076.37546s) started
T12 >> 1462344665.28890491 General diagonalize (42906.31151s) started
T12 << 1462344720.91961408 General diagonalize (42961.94222s) stopped
T12 >> 1462344720.91966796 Redistribute coefs (6.57290s) started
T12 << 1462344720.92839503 Redistribute coefs (6.58163s) stopped
T12 >> 1462344720.92844391 Send coefs to domains (156.29075s) started
T12 << 1462344721.16101909 Send coefs to domains (156.52333s) stopped
T12 << 1462344721.16160488 Blacs Orbital Layouts (43132.25695s) stopped
T12 >> 1462344721.16163492 Calculate projections (1398.20140s) started
T12 << 1462344722.93020201 Calculate projections (1399.96996s) stopped
T12 << 1462344722.93043089 LCAO eigensolver (51652.18025s) stopped
T12 >> 1462344726.02282500 Density (12110.39908s) started
T12 >> 1462344726.02284002 Pseudo density (9332.35599s) started
T12 >> 1462344726.02463293 Calculate density matrix (8761.46941s) started
T12 << 1462344738.36222601 Calculate density matrix (8773.80700s) stopped
T12 >> 1462344738.36227298 Construct density (556.09231s) started
T12 << 1462344739.14634299 Construct density (556.87638s) stopped
T12 >> 1462344739.16048002 Symmetrize density (0.06268s) started
T12 << 1462344739.16054392 Symmetrize density (0.06274s) stopped
T12 << 1462344739.16261101 Pseudo density (9345.49577s) stopped
T12 >> 1462344739.16266894 Atomic density matrices (2454.23078s) started
T12 << 1462344742.69939804 Atomic density matrices (2457.76751s) stopped
T12 >> 1462344742.69942999 Multipole moments (9.27745s) started
T12 << 1462344742.71520305 Multipole moments (9.29322s) stopped
T12 >> 1462344742.71523595 Normalize (4.96815s) started
T12 << 1462344742.72143006 Normalize (4.97435s) stopped
T12 >> 1462344742.72153807 Mix (309.50818s) started
T12 << 1462344743.14515090 Mix (309.93179s) stopped
T12 << 1462344743.14525199 Density (12127.52151s) stopped
T12 >> 1462344743.14529395 Hamiltonian (36753.10065s) started
T12 >> 1462344743.14531493 vbar (19.61827s) started
T12 << 1462344743.17501712 vbar (19.64797s) stopped
T12 >> 1462344743.17510295 XC 3D grid (20762.57757s) started
T12 >> 1462344743.69009709 van der Waals (20052.33101s) started
T12 >> 1462344743.79894590 semilocal (4237.62423s) started
T12 << 1462344749.52689791 semilocal (4243.35219s) stopped
T12 >> 1462344749.61679196 redistribute (2154.02221s) started
T12 << 1462344750.69471097 redistribute (2155.10013s) stopped
T12 >> 1462344750.69475293 libvdwxc nonlocal (13520.80848s) started
T12 << 1462344768.99331403 libvdwxc nonlocal (13539.10704s) stopped
T12 >> 1462344768.99340105 redistribute (2155.10017s) started
T12 << 1462344770.68532896 redistribute (2156.79209s) stopped
T12 << 1462344770.68619895 van der Waals (20079.32711s) stopped
T12 << 1462344771.15515590 XC 3D grid (20790.55763s) stopped
T12 >> 1462344771.15521789 Poisson (4295.64369s) started
T12 << 1462344778.33331704 Poisson (4302.82179s) stopped
T12 >> 1462344778.33344293 Hartree integrate/restrict (273.68348s) started
T12 << 1462344778.37629795 Hartree integrate/restrict (273.72634s) stopped
T12 >> 1462344778.37638092 Hartree integrate/restrict (273.72640s) started
T12 << 1462344778.73834610 Hartree integrate/restrict (274.08836s) stopped
T12 >> 1462344778.73844290 Atomic (1755.65415s) started
T12 >> 1462344778.74033403 XC Correction (0.02433s) started
T12 << 1462344778.74034905 XC Correction (0.02434s) stopped
T12 << 1462344781.11031389 Atomic (1758.02603s) stopped
T12 >> 1462344781.11050606 Communicate (9645.63732s) started
T12 << 1462344799.64406204 Communicate (9664.17088s) stopped
T12 << 1462344799.64409995 Hamiltonian (36809.59946s) stopped
T12 >> 1462344799.64412498 LCAO eigensolver (51652.18027s) started
T12 >> 1462344799.64413905 Potential matrix (769.72246s) started
T12 << 1462344800.62530208 Potential matrix (770.70362s) stopped
T12 >> 1462344800.62537289 DistributedAtomicCorrection (327.30406s) started
T12 << 1462344801.07159996 DistributedAtomicCorrection (327.75029s) stopped
T12 >> 1462344801.07164693 Distribute overlap matrix (6019.04062s) started
T12 >> 1462344801.07167411 blocked summation (3360.43976s) started
T12 << 1462344805.85785604 blocked summation (3365.22594s) stopped
T12 >> 1462344805.86668491 Scalapack redistribute (2650.85311s) started
T12 << 1462344809.44888210 Scalapack redistribute (2654.43530s) stopped
T12 << 1462344809.44899702 Distribute overlap matrix (6027.41797s) stopped
T12 >> 1462344809.45334196 Blacs Orbital Layouts (43132.25697s) started
T12 >> 1462344809.46188402 General diagonalize (42961.94226s) started
T12 << 1462344865.10980201 General diagonalize (43017.59018s) stopped
T12 >> 1462344865.10984898 Redistribute coefs (6.58167s) started
T12 << 1462344865.11777806 Redistribute coefs (6.58960s) stopped
T12 >> 1462344865.11785412 Send coefs to domains (156.52337s) started
T12 << 1462344865.22495103 Send coefs to domains (156.63046s) stopped
T12 << 1462344865.22532606 Blacs Orbital Layouts (43188.02895s) stopped
T12 >> 1462344865.22535491 Calculate projections (1399.97002s) started
T12 << 1462344866.99443007 Calculate projections (1401.73909s) stopped
T12 << 1462344866.99462199 LCAO eigensolver (51719.53077s) stopped
T12 >> 1462344870.08427405 Density (12127.52153s) started
T12 >> 1462344870.08428907 Pseudo density (9345.49581s) started
T12 >> 1462344870.08621001 Calculate density matrix (8773.80704s) started
T12 << 1462344882.07527995 Calculate density matrix (8785.79611s) stopped
T12 >> 1462344882.07532811 Construct density (556.87643s) started
T12 << 1462344882.86070299 Construct density (557.66181s) stopped
T12 >> 1462344882.87495589 Symmetrize density (0.06276s) started
T12 << 1462344882.87502193 Symmetrize density (0.06283s) stopped
T12 << 1462344882.87708497 Pseudo density (9358.28861s) stopped
T12 >> 1462344882.87714100 Atomic density matrices (2457.76753s) started
T12 << 1462344886.30154705 Atomic density matrices (2461.19194s) stopped
T12 >> 1462344886.30157995 Multipole moments (9.29323s) started
T12 << 1462344886.31743312 Multipole moments (9.30909s) stopped
T12 >> 1462344886.31746793 Normalize (4.97443s) started
T12 << 1462344886.32362008 Normalize (4.98058s) stopped
T12 >> 1462344886.32373691 Mix (309.93189s) started
T12 << 1462344886.72704196 Mix (310.33519s) stopped
T12 << 1462344886.72708702 Density (12144.16434s) stopped
T12 >> 1462344886.72711205 Hamiltonian (36809.59947s) started
T12 >> 1462344886.72712588 vbar (19.64802s) started
T12 << 1462344886.75100088 vbar (19.67190s) stopped
T12 >> 1462344886.75112295 XC 3D grid (20790.55768s) started
T12 >> 1462344887.25564194 van der Waals (20079.32713s) started
T12 >> 1462344887.36573410 semilocal (4243.35229s) started
T12 << 1462344893.14353609 semilocal (4249.13009s) stopped
T12 >> 1462344893.22144890 redistribute (2156.79215s) started
T12 << 1462344894.23241806 redistribute (2157.80312s) stopped
T12 >> 1462344894.23247290 libvdwxc nonlocal (13539.10711s) started
T12 << 1462344912.71424103 libvdwxc nonlocal (13557.58888s) stopped
T12 >> 1462344912.71430898 redistribute (2157.80315s) started
T12 << 1462344914.56223893 redistribute (2159.65108s) stopped
T12 << 1462344914.56309390 van der Waals (20106.63458s) stopped
T12 << 1462344915.02607608 XC 3D grid (20818.83263s) stopped
T12 >> 1462344915.02612805 Poisson (4302.82189s) started
T12 << 1462344920.84409690 Poisson (4308.63986s) stopped
T12 >> 1462344920.84415793 Hartree integrate/restrict (274.08841s) started
T12 << 1462344920.89291596 Hartree integrate/restrict (274.13717s) stopped
T12 >> 1462344920.89300609 Hartree integrate/restrict (274.13723s) started
T12 << 1462344921.20447993 Hartree integrate/restrict (274.44870s) stopped
T12 >> 1462344921.20456910 Atomic (1758.02605s) started
T12 >> 1462344921.20637798 XC Correction (0.02435s) started
T12 << 1462344921.20639300 XC Correction (0.02437s) stopped
T12 << 1462344923.62506509 Atomic (1760.44655s) stopped
T12 >> 1462344923.62524390 Communicate (9664.17090s) started
T12 << 1462344941.41191506 Communicate (9681.95757s) stopped
T12 << 1462344941.41195202 Hamiltonian (36864.28431s) stopped
T12 >> 1462344941.41197705 LCAO eigensolver (51719.53079s) started
T12 >> 1462344941.41198993 Potential matrix (770.70366s) started
T12 << 1462344942.39692807 Potential matrix (771.68860s) stopped
T12 >> 1462344942.39700007 DistributedAtomicCorrection (327.75032s) started
T12 << 1462344942.85161400 DistributedAtomicCorrection (328.20494s) stopped
T12 >> 1462344942.85167503 Distribute overlap matrix (6027.41798s) started
T12 >> 1462344942.85169697 blocked summation (3365.22600s) started
T12 << 1462344947.57423496 blocked summation (3369.94854s) stopped
T12 >> 1462344947.58440709 Scalapack redistribute (2654.43536s) started
T12 << 1462344951.24872994 Scalapack redistribute (2658.09968s) stopped
T12 << 1462344951.24883389 Distribute overlap matrix (6035.81514s) stopped
T12 >> 1462344951.25295401 Blacs Orbital Layouts (43188.02897s) started
T12 >> 1462344951.26229596 General diagonalize (43017.59021s) started
T12 << 1462345007.19368601 General diagonalize (43073.52160s) stopped
T12 >> 1462345007.19373703 Redistribute coefs (6.58966s) started
T12 << 1462345007.20253992 Redistribute coefs (6.59846s) stopped
T12 >> 1462345007.20258808 Send coefs to domains (156.63050s) started
T12 << 1462345007.34102988 Send coefs to domains (156.76894s) stopped
T12 << 1462345007.34158993 Blacs Orbital Layouts (43244.11761s) stopped
T12 >> 1462345007.34165311 Calculate projections (1401.73914s) started
T12 << 1462345009.12331104 Calculate projections (1403.52080s) stopped
T12 << 1462345009.12355208 LCAO eigensolver (51787.24236s) stopped
T12 >> 1462345012.18689609 Density (12144.16435s) started
T12 >> 1462345012.18691206 Pseudo density (9358.28865s) started
T12 >> 1462345012.18944407 Calculate density matrix (8785.79614s) started
T12 << 1462345024.25374198 Calculate density matrix (8797.86044s) stopped
T12 >> 1462345024.25379992 Construct density (557.66186s) started
T12 << 1462345025.03923702 Construct density (558.44729s) stopped
T12 >> 1462345025.05567408 Symmetrize density (0.06285s) started
T12 << 1462345025.05574989 Symmetrize density (0.06292s) stopped
T12 << 1462345025.05822110 Pseudo density (9371.15996s) stopped
T12 >> 1462345025.05829191 Atomic density matrices (2461.19196s) started
T12 << 1462345028.66190410 Atomic density matrices (2464.79557s) stopped
T12 >> 1462345028.66194201 Multipole moments (9.30911s) started
T12 << 1462345028.67765689 Multipole moments (9.32482s) stopped
T12 >> 1462345028.67769599 Normalize (4.98067s) started
T12 << 1462345028.68453503 Normalize (4.98751s) stopped
T12 >> 1462345028.68458200 Mix (310.33524s) started
T12 << 1462345029.12671304 Mix (310.77737s) stopped
T12 << 1462345029.12677407 Density (12161.10423s) stopped
T12 >> 1462345029.12684703 Hamiltonian (36864.28432s) started
T12 >> 1462345029.12686396 vbar (19.67197s) started
T12 << 1462345029.16321993 vbar (19.70833s) stopped
T12 >> 1462345029.16333604 XC 3D grid (20818.83267s) started
T12 >> 1462345029.64079809 van der Waals (20106.63461s) started
T12 >> 1462345029.75410104 semilocal (4249.13017s) started
T12 << 1462345035.55838895 semilocal (4254.93445s) stopped
T12 >> 1462345035.63310099 redistribute (2159.65113s) started
T12 << 1462345036.61158895 redistribute (2160.62962s) stopped
T12 >> 1462345036.61167502 libvdwxc nonlocal (13557.58893s) started
T12 << 1462345055.16605902 libvdwxc nonlocal (13576.14331s) stopped
T12 >> 1462345055.16614509 redistribute (2160.62968s) started
T12 << 1462345057.31279612 redistribute (2162.77633s) stopped
T12 << 1462345057.31386805 van der Waals (20134.30768s) stopped
T12 << 1462345057.78170204 XC 3D grid (20847.45104s) stopped
T12 >> 1462345057.78175306 Poisson (4308.63991s) started
T12 << 1462345062.21120691 Poisson (4313.06936s) stopped
T12 >> 1462345062.21128106 Hartree integrate/restrict (274.44875s) started
T12 << 1462345062.25033307 Hartree integrate/restrict (274.48780s) stopped
T12 >> 1462345062.25041008 Hartree integrate/restrict (274.48785s) started
T12 << 1462345062.60127807 Hartree integrate/restrict (274.83872s) stopped
T12 >> 1462345062.60136604 Atomic (1760.44657s) started
T12 >> 1462345062.60328293 XC Correction (0.02438s) started
T12 << 1462345062.60329795 XC Correction (0.02439s) stopped
T12 << 1462345065.00157690 Atomic (1762.84678s) stopped
T12 >> 1462345065.00177693 Communicate (9681.95760s) started
T12 << 1462345082.06723309 Communicate (9699.02305s) stopped
T12 << 1462345082.06727600 Hamiltonian (36917.22475s) stopped
T12 >> 1462345082.06730294 LCAO eigensolver (51787.24238s) started
T12 >> 1462345082.06731701 Potential matrix (771.68864s) started
T12 << 1462345083.04415703 Potential matrix (772.66548s) stopped
T12 >> 1462345083.04425406 DistributedAtomicCorrection (328.20498s) started
T12 << 1462345083.51020098 DistributedAtomicCorrection (328.67092s) stopped
T12 >> 1462345083.51026511 Distribute overlap matrix (6035.81516s) started
T12 >> 1462345083.51029110 blocked summation (3369.94857s) started
T12 << 1462345088.31067896 blocked summation (3374.74895s) stopped
T12 >> 1462345088.32041097 Scalapack redistribute (2658.09974s) started
T12 << 1462345091.92814898 Scalapack redistribute (2661.70748s) stopped
T12 << 1462345091.92828012 Distribute overlap matrix (6044.23317s) stopped
T12 >> 1462345091.93272209 Blacs Orbital Layouts (43244.11763s) started
T12 >> 1462345091.94126105 General diagonalize (43073.52165s) started
T12 << 1462345146.61472988 General diagonalize (43128.19512s) stopped
T12 >> 1462345146.61478305 Redistribute coefs (6.59850s) started
T12 << 1462345146.62359595 Redistribute coefs (6.60731s) stopped
T12 >> 1462345146.62364697 Send coefs to domains (156.76898s) started
T12 << 1462345146.96658492 Send coefs to domains (157.11192s) stopped
T12 << 1462345146.96712303 Blacs Orbital Layouts (43299.15203s) stopped
T12 >> 1462345146.96715999 Calculate projections (1403.52086s) started
T12 << 1462345148.74648905 Calculate projections (1405.30018s) stopped
T12 << 1462345148.74686599 LCAO eigensolver (51853.92194s) stopped
T12 >> 1462345151.82818103 Density (12161.10428s) started
T12 >> 1462345151.82819700 Pseudo density (9371.16002s) started
T12 >> 1462345151.83073592 Calculate density matrix (8797.86048s) started
T12 << 1462345163.72160912 Calculate density matrix (8809.75135s) stopped
T12 >> 1462345163.72166610 Construct density (558.44735s) started
T12 << 1462345164.50530195 Construct density (559.23099s) stopped
T12 >> 1462345164.52157807 Symmetrize density (0.06294s) started
T12 << 1462345164.52165294 Symmetrize density (0.06302s) stopped
T12 << 1462345164.52410197 Pseudo density (9383.85592s) stopped
T12 >> 1462345164.52417111 Atomic density matrices (2464.79560s) started
T12 << 1462345168.09329200 Atomic density matrices (2468.36472s) stopped
T12 >> 1462345168.09332895 Multipole moments (9.32484s) started
T12 << 1462345168.10901403 Multipole moments (9.34052s) stopped
T12 >> 1462345168.10905099 Normalize (4.98754s) started
T12 << 1462345168.11585307 Normalize (4.99434s) stopped
T12 >> 1462345168.11590505 Mix (310.77743s) started
T12 << 1462345168.56481910 Mix (311.22634s) stopped
T12 << 1462345168.56485701 Density (12177.84096s) stopped
T12 >> 1462345168.56488299 Hamiltonian (36917.22477s) started
T12 >> 1462345168.56489801 vbar (19.70839s) started
T12 << 1462345168.59088492 vbar (19.73438s) stopped
T12 >> 1462345168.59102392 XC 3D grid (20847.45108s) started
T12 >> 1462345169.11446905 van der Waals (20134.30771s) started
T12 >> 1462345169.22793293 semilocal (4254.93454s) started
T12 << 1462345174.98739600 semilocal (4260.69400s) stopped
T12 >> 1462345175.06167102 redistribute (2162.77639s) started
T12 << 1462345176.09662104 redistribute (2163.81134s) stopped
T12 >> 1462345176.09667301 libvdwxc nonlocal (13576.14338s) started
T12 << 1462345194.12602711 libvdwxc nonlocal (13594.17273s) stopped
T12 >> 1462345194.12608910 redistribute (2163.81138s) started
T12 << 1462345197.17104411 redistribute (2166.85634s) stopped
T12 << 1462345197.17210889 van der Waals (20162.36535s) stopped
T12 << 1462345197.63718891 XC 3D grid (20876.49725s) stopped
T12 >> 1462345197.63724899 Poisson (4313.06941s) started
T12 << 1462345201.95616198 Poisson (4317.38833s) stopped
T12 >> 1462345201.95631909 Hartree integrate/restrict (274.83876s) started
T12 << 1462345201.99336910 Hartree integrate/restrict (274.87581s) stopped
T12 >> 1462345201.99346089 Hartree integrate/restrict (274.87586s) started
T12 << 1462345202.32200599 Hartree integrate/restrict (275.20441s) stopped
T12 >> 1462345202.32211995 Atomic (1762.84681s) started
T12 >> 1462345202.32401991 XC Correction (0.02440s) started
T12 << 1462345202.32403588 XC Correction (0.02442s) stopped
T12 << 1462345204.74545407 Atomic (1765.27014s) stopped
T12 >> 1462345204.74564505 Communicate (9699.02308s) started
T12 << 1462345221.81280899 Communicate (9716.09025s) stopped
T12 << 1462345221.81285191 Hamiltonian (36970.47274s) stopped
T12 >> 1462345221.81287789 LCAO eigensolver (51853.92196s) started
T12 >> 1462345221.81289196 Potential matrix (772.66553s) started
T12 << 1462345222.78665209 Potential matrix (773.63929s) stopped
T12 >> 1462345222.78673410 DistributedAtomicCorrection (328.67096s) started
T12 << 1462345223.23649406 DistributedAtomicCorrection (329.12072s) stopped
T12 >> 1462345223.23655605 Distribute overlap matrix (6044.23318s) started
T12 >> 1462345223.23658109 blocked summation (3374.74901s) started
T12 << 1462345228.01963806 blocked summation (3379.53207s) stopped
T12 >> 1462345228.03023410 Scalapack redistribute (2661.70755s) started
T12 << 1462345231.65726089 Scalapack redistribute (2665.33457s) stopped
T12 << 1462345231.65736198 Distribute overlap matrix (6052.65399s) stopped
T12 >> 1462345231.66208005 Blacs Orbital Layouts (43299.15205s) started
T12 >> 1462345231.67082310 General diagonalize (43128.19516s) started
T12 << 1462345285.06075907 General diagonalize (43181.58510s) stopped
T12 >> 1462345285.06081009 Redistribute coefs (6.60735s) started
T12 << 1462345285.06932306 Redistribute coefs (6.61586s) stopped
T12 >> 1462345285.06938505 Send coefs to domains (157.11196s) started
T12 << 1462345285.19925189 Send coefs to domains (157.24183s) stopped
T12 << 1462345285.19970202 Blacs Orbital Layouts (43352.68967s) stopped
T12 >> 1462345285.19975495 Calculate projections (1405.30024s) started
T12 << 1462345286.96820593 Calculate projections (1407.06869s) stopped
T12 << 1462345286.96870089 LCAO eigensolver (51919.07778s) stopped
T12 >> 1462345290.03466797 Density (12177.84097s) started
T12 >> 1462345290.03468394 Pseudo density (9383.85598s) started
T12 >> 1462345290.03636503 Calculate density matrix (8809.75139s) started
T12 << 1462345302.10709405 Calculate density matrix (8821.82212s) stopped
T12 >> 1462345302.10714102 Construct density (559.23105s) started
T12 << 1462345302.89197206 Construct density (560.01588s) stopped
T12 >> 1462345302.90615511 Symmetrize density (0.06304s) started
T12 << 1462345302.90623903 Symmetrize density (0.06312s) stopped
T12 << 1462345302.90830898 Pseudo density (9396.72960s) stopped
T12 >> 1462345302.90836501 Atomic density matrices (2468.36475s) started
T12 << 1462345306.49059391 Atomic density matrices (2471.94698s) stopped
T12 >> 1462345306.49062800 Multipole moments (9.34054s) started
T12 << 1462345306.50654602 Multipole moments (9.35646s) stopped
T12 >> 1462345306.50658202 Normalize (4.99438s) started
T12 << 1462345306.51277304 Normalize (5.00057s) stopped
T12 >> 1462345306.51285791 Mix (311.22638s) started
T12 << 1462345306.95516109 Mix (311.66868s) stopped
T12 << 1462345306.95522308 Density (12194.76152s) stopped
T12 >> 1462345306.95525098 Hamiltonian (36970.47275s) started
T12 >> 1462345306.95526791 vbar (19.73446s) started
T12 << 1462345306.97793198 vbar (19.75713s) stopped
T12 >> 1462345306.97806811 XC 3D grid (20876.49729s) started
T12 >> 1462345307.48552108 van der Waals (20162.36537s) started
T12 >> 1462345307.59554505 semilocal (4260.69411s) started
T12 << 1462345313.40101194 semilocal (4266.49958s) stopped
T12 >> 1462345313.47367811 redistribute (2166.85640s) started
T12 << 1462345314.45655107 redistribute (2167.83927s) stopped
T12 >> 1462345314.45659900 libvdwxc nonlocal (13594.17278s) started
T12 << 1462345333.60912490 libvdwxc nonlocal (13613.32530s) stopped
T12 >> 1462345333.60916805 redistribute (2167.83931s) started
T12 << 1462345335.88804102 redistribute (2170.11818s) stopped
T12 << 1462345335.88897491 van der Waals (20190.76882s) stopped
T12 << 1462345336.35678911 XC 3D grid (20905.87601s) stopped
T12 >> 1462345336.35683107 Poisson (4317.38845s) started
T12 << 1462345340.73093891 Poisson (4321.76255s) stopped
T12 >> 1462345340.73100090 Hartree integrate/restrict (275.20447s) started
T12 << 1462345340.78168893 Hartree integrate/restrict (275.25515s) stopped
T12 >> 1462345340.78173709 Hartree integrate/restrict (275.25518s) started
T12 << 1462345341.11624193 Hartree integrate/restrict (275.58969s) stopped
T12 >> 1462345341.11632991 Atomic (1765.27017s) started
T12 >> 1462345341.11872602 XC Correction (0.02443s) started
T12 << 1462345341.11875892 XC Correction (0.02447s) stopped
T12 << 1462345343.52509403 Atomic (1767.67893s) stopped
T12 >> 1462345343.52526593 Communicate (9716.09028s) started
T12 << 1462345360.56644011 Communicate (9733.13145s) stopped
T12 << 1462345360.56647611 Hamiltonian (37024.08397s) stopped
T12 >> 1462345360.56650209 LCAO eigensolver (51919.07780s) started
T12 >> 1462345360.56651497 Potential matrix (773.63934s) started
T12 << 1462345361.54651594 Potential matrix (774.61934s) stopped
T12 >> 1462345361.54658699 DistributedAtomicCorrection (329.12076s) started
T12 << 1462345361.99558806 DistributedAtomicCorrection (329.56976s) stopped
T12 >> 1462345361.99564910 Distribute overlap matrix (6052.65400s) started
T12 >> 1462345361.99567008 blocked summation (3379.53211s) started
T12 << 1462345366.79660511 blocked summation (3384.33304s) stopped
T12 >> 1462345366.80689406 Scalapack redistribute (2665.33462s) started
T12 << 1462345370.44974709 Scalapack redistribute (2668.97747s) stopped
T12 << 1462345370.44986391 Distribute overlap matrix (6061.10822s) stopped
T12 >> 1462345370.45491910 Blacs Orbital Layouts (43352.68969s) started
T12 >> 1462345370.46410894 General diagonalize (43181.58514s) started
T12 << 1462345426.82212996 General diagonalize (43237.94316s) stopped
T12 >> 1462345426.82217598 Redistribute coefs (6.61591s) started
T12 << 1462345426.83028007 Redistribute coefs (6.62402s) stopped
T12 >> 1462345426.83032203 Send coefs to domains (157.24186s) started
T12 << 1462345426.92727900 Send coefs to domains (157.33882s) stopped
T12 << 1462345426.92762589 Blacs Orbital Layouts (43409.16240s) stopped
T12 >> 1462345426.92767811 Calculate projections (1407.06874s) started
T12 << 1462345428.69772792 Calculate projections (1408.83879s) stopped
T12 << 1462345428.69809389 LCAO eigensolver (51987.20940s) stopped
T12 >> 1462345431.76777005 Density (12194.76154s) started
T12 >> 1462345431.76779103 Pseudo density (9396.72965s) started
T12 >> 1462345431.76942396 Calculate density matrix (8821.82215s) started
T12 << 1462345443.74503112 Calculate density matrix (8833.79776s) stopped
T12 >> 1462345443.74507809 Construct density (560.01593s) started
T12 << 1462345444.52948499 Construct density (560.80033s) stopped
T12 >> 1462345444.54345608 Symmetrize density (0.06314s) started
T12 << 1462345444.54351592 Symmetrize density (0.06320s) stopped
T12 << 1462345444.54558706 Pseudo density (9409.50744s) stopped
T12 >> 1462345444.54564404 Atomic density matrices (2471.94700s) started
T12 << 1462345448.08607602 Atomic density matrices (2475.48744s) stopped
T12 >> 1462345448.08611012 Multipole moments (9.35647s) started
T12 << 1462345448.10185504 Multipole moments (9.37222s) stopped
T12 >> 1462345448.10188794 Normalize (5.00063s) started
T12 << 1462345448.10815096 Normalize (5.00689s) stopped
T12 >> 1462345448.10825706 Mix (311.66875s) started
T12 << 1462345448.55527210 Mix (312.11576s) stopped
T12 << 1462345448.55532002 Density (12211.54909s) stopped
T12 >> 1462345448.55534697 Hamiltonian (37024.08399s) started
T12 >> 1462345448.55536294 vbar (19.75721s) started
T12 << 1462345448.58591890 vbar (19.78776s) stopped
T12 >> 1462345448.58604598 XC 3D grid (20905.87604s) started
T12 >> 1462345449.06757402 van der Waals (20190.76884s) started
T12 >> 1462345449.17980194 semilocal (4266.49968s) started
T12 << 1462345454.96770000 semilocal (4272.28757s) stopped
T12 >> 1462345455.04055405 redistribute (2170.11824s) started
T12 << 1462345456.05769992 redistribute (2171.13538s) stopped
T12 >> 1462345456.05774212 libvdwxc nonlocal (13613.32533s) started
T12 << 1462345474.61700797 libvdwxc nonlocal (13631.88460s) stopped
T12 >> 1462345474.61707211 redistribute (2171.13541s) started
T12 << 1462345477.04864812 redistribute (2173.56699s) stopped
T12 << 1462345477.04961109 van der Waals (20218.75088s) stopped
T12 << 1462345477.51856589 XC 3D grid (20934.80856s) stopped
T12 >> 1462345477.51862192 Poisson (4321.76260s) started
T12 << 1462345482.01102090 Poisson (4326.25500s) stopped
T12 >> 1462345482.01110506 Hartree integrate/restrict (275.58973s) started
T12 << 1462345482.05797601 Hartree integrate/restrict (275.63660s) stopped
T12 >> 1462345482.05802608 Hartree integrate/restrict (275.63662s) started
T12 << 1462345482.38900399 Hartree integrate/restrict (275.96760s) stopped
T12 >> 1462345482.38909698 Atomic (1767.67896s) started
T12 >> 1462345482.39091492 XC Correction (0.02448s) started
T12 << 1462345482.39093089 XC Correction (0.02450s) stopped
T12 << 1462345484.80711293 Atomic (1770.09697s) stopped
T12 >> 1462345484.80728006 Communicate (9733.13147s) started
T12 << 1462345502.01807594 Communicate (9750.34227s) stopped
T12 << 1462345502.01811290 Hamiltonian (37077.54675s) stopped
T12 >> 1462345502.01813793 LCAO eigensolver (51987.20941s) started
T12 >> 1462345502.01815104 Potential matrix (774.61938s) started
T12 << 1462345503.00429106 Potential matrix (775.60552s) stopped
T12 >> 1462345503.00437593 DistributedAtomicCorrection (329.56980s) started
T12 << 1462345503.45991206 DistributedAtomicCorrection (330.02534s) stopped
T12 >> 1462345503.45997310 Distribute overlap matrix (6061.10823s) started
T12 >> 1462345503.45999503 blocked summation (3384.33309s) started
T12 << 1462345508.19379210 blocked summation (3389.06689s) stopped
T12 >> 1462345508.20428705 Scalapack redistribute (2668.97753s) started
T12 << 1462345511.93672705 Scalapack redistribute (2672.70997s) stopped
T12 << 1462345511.93683696 Distribute overlap matrix (6069.58510s) stopped
T12 >> 1462345511.94221210 Blacs Orbital Layouts (43409.16242s) started
T12 >> 1462345511.95080209 General diagonalize (43237.94320s) started
T12 << 1462345567.58215809 General diagonalize (43293.57455s) stopped
T12 >> 1462345567.58220291 Redistribute coefs (6.62405s) started
T12 << 1462345567.59050608 Redistribute coefs (6.63235s) stopped
T12 >> 1462345567.59056807 Send coefs to domains (157.33885s) started
T12 << 1462345567.76788092 Send coefs to domains (157.51616s) stopped
T12 << 1462345567.76822090 Blacs Orbital Layouts (43464.98843s) stopped
T12 >> 1462345567.76830196 Calculate projections (1408.83884s) started
T12 << 1462345569.53681898 Calculate projections (1410.60736s) stopped
T12 << 1462345569.53717995 LCAO eigensolver (52054.72846s) stopped
T12 << 1462345572.63808107 SCF-cycle (103873.25742s) stopped
T12 >> 1462345574.86914206 Force calculation (4900.79183s) started
T12 >> 1462345574.86922598 LCAO forces (4847.81948s) started
T12 >> 1462345574.86958790 Initial (0.00140s) started
T12 << 1462345574.86959910 Initial (0.00141s) stopped
T12 >> 1462345574.87638211 Get density matrix (2520.41900s) started
T12 << 1462345584.95014596 Get density matrix (2530.49276s) stopped
T12 >> 1462345584.95018792 Potential (381.72546s) started
T12 << 1462345591.21861696 Potential (387.99389s) stopped
T12 >> 1462345591.21867609 Get density matrix (2530.49279s) started
T12 << 1462345623.00828409 Get density matrix (2562.28240s) stopped
T12 >> 1462345623.00833893 Prepare TCI loop (135.73404s) started
T12 >> 1462345623.00885201 Get neighbors (120.90161s) started
T12 << 1462345624.97821689 Get neighbors (122.87098s) stopped
T12 >> 1462345624.97912192 broadcast dH (14.75948s) started
T12 << 1462345625.29552698 broadcast dH (15.07589s) stopped
T12 << 1462345625.29556990 Prepare TCI loop (138.02127s) stopped
T12 >> 1462345625.29559112 Not so complicated loop (7.39750s) started
T12 << 1462345625.41438794 Not so complicated loop (7.51630s) stopped
T12 >> 1462345625.53291202 Complicated loop (1173.62189s) started
T12 << 1462345645.17005110 Complicated loop (1193.25903s) stopped
T12 >> 1462345645.17115593 Wait for sum (620.95685s) started
T12 << 1462345656.57353806 Wait for sum (632.35924s) stopped
T12 << 1462345656.57357192 LCAO forces (4929.52383s) stopped
T12 << 1462345657.41425800 Force calculation (4983.33694s) stopped
T12 >> 1462345657.43228889 Initialization (8204.11947s) started
T12 << 1462345657.43246007 Initialization (8204.11964s) stopped
T12 >> 1462345657.43268394 Initialization (8204.11966s) started
T12 << 1462345657.43282509 Initialization (8204.11980s) stopped
T12 >> 1462345657.43296504 Initialization (8204.11981s) started
T12 << 1462345657.43309689 Initialization (8204.11995s) stopped
T12 >> 1462345677.77285194 Initialization (8204.11996s) started
T12 >> 1462345677.81079793 Basic WFS set positions (5.58307s) started
T12 >> 1462345677.81082201 Redistribute (0.01604s) started
T12 << 1462345677.81095195 Redistribute (0.01617s) stopped
T12 << 1462345677.90149593 Basic WFS set positions (5.67377s) stopped
T12 >> 1462345677.90152502 Basis functions set positions (117.66243s) started
T12 << 1462345679.87824011 Basis functions set positions (119.63914s) stopped
T12 >> 1462345679.87872696 TCI: Calculate S, T, P (972.36687s) started
T12 << 1462345695.60455704 TCI: Calculate S, T, P (988.09270s) stopped
T12 >> 1462345695.60461092 blocked summation (1610.36368s) started
T12 << 1462345727.91290689 blocked summation (1642.67198s) stopped
T12 >> 1462345727.92188001 Scalapack redistribute (581.88524s) started
T12 << 1462345738.76432490 Scalapack redistribute (592.72768s) stopped
T12 >> 1462345738.76534891 blocked summation (1642.67201s) started
T12 << 1462345739.80825710 blocked summation (1643.71492s) stopped
T12 >> 1462345739.81728196 Scalapack redistribute (592.72774s) started
T12 << 1462345740.12709808 Scalapack redistribute (593.03756s) stopped
T12 >> 1462345740.12904191 Redistribute (0.12193s) started
T12 << 1462345740.12954211 Redistribute (0.12244s) stopped
T12 >> 1462345741.92549610 Redistribute (0.12245s) started
T12 << 1462345741.92596507 Redistribute (0.12292s) stopped
T12 >> 1462345741.94035602 LCAO WFS Initialize (4792.53637s) started
T12 >> 1462345741.94044709 Density initialize from wavefunctions (904.69760s) started
T12 >> 1462345741.94670105 Calculate density matrix (624.05167s) started
T12 << 1462345751.80251694 Calculate density matrix (633.90749s) stopped
T12 >> 1462345751.80256510 Construct density (47.81950s) started
T12 << 1462345752.58378601 Construct density (48.60072s) stopped
T12 >> 1462345752.59779000 Symmetrize density (0.00519s) started
T12 << 1462345752.59785604 Symmetrize density (0.00526s) stopped
T12 << 1462345756.50940108 Density initialize from wavefunctions (919.26655s) stopped
T12 >> 1462345756.50962210 Hamiltonian (3886.90495s) started
T12 >> 1462345756.50963902 vbar (1.78097s) started
T12 << 1462345756.53906393 vbar (1.81040s) stopped
T12 >> 1462345756.53923106 XC 3D grid (1820.96482s) started
T12 >> 1462345757.02561402 van der Waals (1758.99983s) started
T12 >> 1462345757.13645697 semilocal (370.61703s) started
T12 << 1462345762.94584298 semilocal (376.42642s) stopped
T12 >> 1462345763.01471400 redistribute (198.56661s) started
T12 << 1462345763.99360800 redistribute (199.54551s) stopped
T12 >> 1462345763.99365902 libvdwxc nonlocal (1177.55263s) started
T12 << 1462345782.70842099 libvdwxc nonlocal (1196.26740s) stopped
T12 >> 1462345782.70847702 redistribute (199.54554s) started
T12 << 1462345784.38786197 redistribute (201.22493s) stopped
T12 << 1462345784.38885498 van der Waals (1786.36307s) stopped
T12 << 1462345784.85760593 XC 3D grid (1849.28320s) stopped
T12 >> 1462345784.85766292 Poisson (908.17976s) started
T12 << 1462345797.94042706 Poisson (921.26253s) stopped
T12 >> 1462345797.94050002 Hartree integrate/restrict (23.95042s) started
T12 << 1462345797.98758888 Hartree integrate/restrict (23.99751s) stopped
T12 >> 1462345797.98764110 Hartree integrate/restrict (23.99754s) started
T12 << 1462345798.29555893 Hartree integrate/restrict (24.30546s) stopped
T12 >> 1462345798.29565597 Atomic (151.87015s) started
T12 >> 1462345798.29770088 XC Correction (0.00232s) started
T12 << 1462345798.29771590 XC Correction (0.00233s) stopped
T12 << 1462345800.68921208 Atomic (154.26371s) stopped
T12 >> 1462345800.68937993 Communicate (980.10772s) started
T12 << 1462345819.30916190 Communicate (998.72750s) stopped
T12 << 1462345819.30920005 Hamiltonian (3949.70453s) stopped
T12 << 1462345819.30921412 LCAO WFS Initialize (4869.90523s) stopped
T12 << 1462345819.32140398 Initialization (8345.66852s) stopped
T12 >> 1462345819.34749794 SCF-cycle (103873.25744s) started
T12 >> 1462345819.34753299 LCAO eigensolver (52054.72847s) started
T12 >> 1462345819.34754610 Potential matrix (775.60557s) started
T12 << 1462345820.32608795 Potential matrix (776.58411s) stopped
T12 >> 1462345820.32615995 DistributedAtomicCorrection (330.02538s) started
T12 << 1462345820.77974200 DistributedAtomicCorrection (330.47896s) stopped
T12 >> 1462345820.77979302 Distribute overlap matrix (6069.58511s) started
T12 >> 1462345820.77981997 blocked summation (3389.06694s) started
T12 << 1462345825.41406703 blocked summation (3393.70119s) stopped
T12 >> 1462345825.42369390 Scalapack redistribute (2672.71003s) started
T12 << 1462345829.10043192 Scalapack redistribute (2676.38677s) stopped
T12 << 1462345829.10053802 Distribute overlap matrix (6077.90585s) stopped
T12 >> 1462345829.10508204 Blacs Orbital Layouts (43464.98847s) started
T12 >> 1462345829.11384392 General diagonalize (43293.57459s) started
T12 << 1462345885.57513499 General diagonalize (43350.03588s) stopped
T12 >> 1462345885.57520795 Redistribute coefs (6.63240s) started
T12 << 1462345885.58382297 Redistribute coefs (6.64101s) stopped
T12 >> 1462345885.58389711 Send coefs to domains (157.51620s) started
T12 << 1462345885.69044399 Send coefs to domains (157.62275s) stopped
T12 << 1462345885.69079590 Blacs Orbital Layouts (43521.57419s) stopped
T12 >> 1462345885.69082403 Calculate projections (1410.60741s) started
T12 << 1462345887.45802402 Calculate projections (1412.37461s) stopped
T12 << 1462345887.45838308 LCAO eigensolver (52122.83932s) stopped
T12 >> 1462345890.52588606 Density (12211.54910s) started
T12 >> 1462345890.52590203 Pseudo density (9409.50749s) started
T12 >> 1462345890.52789807 Calculate density matrix (8833.79779s) started
T12 << 1462345902.48970795 Calculate density matrix (8845.75960s) stopped
T12 >> 1462345902.48975611 Construct density (560.80038s) started
T12 << 1462345903.27361107 Construct density (561.58424s) stopped
T12 >> 1462345903.28742599 Symmetrize density (0.06321s) started
T12 << 1462345903.28749490 Symmetrize density (0.06328s) stopped
T12 << 1462345903.28949499 Pseudo density (9422.27108s) stopped
T12 >> 1462345903.28955197 Atomic density matrices (2475.48746s) started
T12 << 1462345906.85801005 Atomic density matrices (2479.05592s) stopped
T12 >> 1462345906.85804391 Multipole moments (9.37224s) started
T12 << 1462345906.87371397 Multipole moments (9.38791s) stopped
T12 >> 1462345906.87373900 Normalize (5.00697s) started
T12 << 1462345906.88004994 Normalize (5.01328s) stopped
T12 >> 1462345906.88009691 Mix (312.11581s) started
T12 << 1462345907.20757008 Mix (312.44328s) stopped
T12 << 1462345907.20762396 Density (12228.23083s) stopped
T12 >> 1462345907.20764995 Hamiltonian (37077.54677s) started
T12 >> 1462345907.20766401 vbar (19.78784s) started
T12 << 1462345907.22827291 vbar (19.80845s) stopped
T12 >> 1462345907.22837806 XC 3D grid (20934.80861s) started
T12 >> 1462345907.79648209 van der Waals (20218.75091s) started
T12 >> 1462345907.90636897 semilocal (4272.28769s) started
T12 << 1462345913.71321797 semilocal (4278.09454s) stopped
T12 >> 1462345913.78443289 redistribute (2173.56705s) started
T12 << 1462345914.81430697 redistribute (2174.59692s) stopped
T12 >> 1462345914.81434798 libvdwxc nonlocal (13631.88465s) started
T12 << 1462345933.17950797 libvdwxc nonlocal (13650.24981s) stopped
T12 >> 1462345933.17956996 redistribute (2174.59695s) started
T12 << 1462345934.88780189 redistribute (2176.30518s) stopped
T12 << 1462345934.88891411 van der Waals (20245.84334s) stopped
T12 << 1462345935.35246205 XC 3D grid (20962.93269s) stopped
T12 >> 1462345935.35250306 Poisson (4326.25506s) started
T12 << 1462345941.12441897 Poisson (4332.02697s) stopped
T12 >> 1462345941.12448406 Hartree integrate/restrict (275.96765s) started
T12 << 1462345941.16844702 Hartree integrate/restrict (276.01161s) stopped
T12 >> 1462345941.16848898 Hartree integrate/restrict (276.01164s) started
T12 << 1462345941.48975801 Hartree integrate/restrict (276.33291s) stopped
T12 >> 1462345941.48984504 Atomic (1770.09699s) started
T12 >> 1462345941.49171090 XC Correction (0.02451s) started
T12 << 1462345941.49172497 XC Correction (0.02452s) stopped
T12 << 1462345943.87894011 Atomic (1772.48609s) stopped
T12 >> 1462345943.87911606 Communicate (9750.34229s) started
T12 << 1462345962.51522398 Communicate (9768.97840s) stopped
T12 << 1462345962.51526308 Hamiltonian (37132.85438s) stopped
T12 >> 1462345962.51528811 LCAO eigensolver (52122.83934s) started
T12 >> 1462345962.51530099 Potential matrix (776.58416s) started
T12 << 1462345963.49238300 Potential matrix (777.56124s) stopped
T12 >> 1462345963.49245405 DistributedAtomicCorrection (330.47900s) started
T12 << 1462345963.94167709 DistributedAtomicCorrection (330.92822s) stopped
T12 >> 1462345963.94172406 Distribute overlap matrix (6077.90587s) started
T12 >> 1462345963.94175100 blocked summation (3393.70122s) started
T12 << 1462345968.55030894 blocked summation (3398.30978s) stopped
T12 >> 1462345968.55970407 Scalapack redistribute (2676.38683s) started
T12 << 1462345972.26527500 Scalapack redistribute (2680.09240s) stopped
T12 << 1462345972.26537609 Distribute overlap matrix (6086.22952s) stopped
T12 >> 1462345972.26970196 Blacs Orbital Layouts (43521.57421s) started
T12 >> 1462345972.27860594 General diagonalize (43350.03594s) started
T12 << 1462346025.43817902 General diagonalize (43403.19551s) stopped
T12 >> 1462346025.43824506 Redistribute coefs (6.64108s) started
T12 << 1462346025.44628096 Redistribute coefs (6.64911s) stopped
T12 >> 1462346025.44635391 Send coefs to domains (157.62278s) started
T12 << 1462346025.54279494 Send coefs to domains (157.71922s) stopped
T12 << 1462346025.54315591 Blacs Orbital Layouts (43574.84766s) stopped
T12 >> 1462346025.54318309 Calculate projections (1412.37466s) started
T12 << 1462346027.30910110 Calculate projections (1414.14057s) stopped
T12 << 1462346027.30944896 LCAO eigensolver (52187.63350s) stopped
T12 >> 1462346030.39535189 Density (12228.23085s) started
T12 >> 1462346030.39536691 Pseudo density (9422.27113s) started
T12 >> 1462346030.39757800 Calculate density matrix (8845.75963s) started
T12 << 1462346042.30440593 Calculate density matrix (8857.66646s) stopped
T12 >> 1462346042.30445409 Construct density (561.58429s) started
T12 << 1462346043.08618307 Construct density (562.36602s) stopped
T12 >> 1462346043.10040092 Symmetrize density (0.06332s) started
T12 << 1462346043.10046506 Symmetrize density (0.06339s) stopped
T12 << 1462346043.10245109 Pseudo density (9434.97821s) stopped
T12 >> 1462346043.10251093 Atomic density matrices (2479.05595s) started
T12 << 1462346046.63301110 Atomic density matrices (2482.58645s) stopped
T12 >> 1462346046.63304400 Multipole moments (9.38792s) started
T12 << 1462346046.64870501 Multipole moments (9.40358s) stopped
T12 >> 1462346046.64873505 Normalize (5.01332s) started
T12 << 1462346046.65502691 Normalize (5.01961s) stopped
T12 >> 1462346046.65508294 Mix (312.44334s) started
T12 << 1462346047.03025007 Mix (312.81850s) stopped
T12 << 1462346047.03033400 Density (12244.86583s) stopped
T12 >> 1462346047.03037405 Hamiltonian (37132.85439s) started
T12 >> 1462346047.03039289 vbar (19.80851s) started
T12 << 1462346047.06458211 vbar (19.84270s) stopped
T12 >> 1462346047.06470490 XC 3D grid (20962.93272s) started
T12 >> 1462346047.60621595 van der Waals (20245.84337s) started
T12 >> 1462346047.71588397 semilocal (4278.09460s) started
T12 << 1462346053.50345802 semilocal (4283.88217s) stopped
T12 >> 1462346053.57339501 redistribute (2176.30524s) started
T12 << 1462346054.59885406 redistribute (2177.33070s) stopped
T12 >> 1462346054.59889603 libvdwxc nonlocal (13650.24985s) started
T12 << 1462346072.91440892 libvdwxc nonlocal (13668.56537s) stopped
T12 >> 1462346072.91446996 redistribute (2177.33073s) started
T12 << 1462346074.62976909 redistribute (2179.04603s) stopped
T12 << 1462346074.63091612 van der Waals (20272.86807s) stopped
T12 << 1462346075.09552002 XC 3D grid (20990.96354s) stopped
T12 >> 1462346075.09555888 Poisson (4332.02702s) started
T12 << 1462346080.90754294 Poisson (4337.83901s) stopped
T12 >> 1462346080.90761209 Hartree integrate/restrict (276.33295s) started
T12 << 1462346080.95241189 Hartree integrate/restrict (276.37775s) stopped
T12 >> 1462346080.95245290 Hartree integrate/restrict (276.37778s) started
T12 << 1462346081.26049089 Hartree integrate/restrict (276.68581s) stopped
T12 >> 1462346081.26058006 Atomic (1772.48611s) started
T12 >> 1462346081.26231694 XC Correction (0.02453s) started
T12 << 1462346081.26233101 XC Correction (0.02455s) stopped
T12 << 1462346083.65493011 Atomic (1774.88046s) stopped
T12 >> 1462346083.65510106 Communicate (9768.97843s) started
T12 << 1462346102.39037108 Communicate (9787.71370s) stopped
T12 << 1462346102.39042807 Hamiltonian (37188.21445s) stopped
T12 >> 1462346102.39045310 LCAO eigensolver (52187.63352s) started
T12 >> 1462346102.39046502 Potential matrix (777.56128s) started
T12 << 1462346103.37887406 Potential matrix (778.54969s) stopped
T12 >> 1462346103.37894511 DistributedAtomicCorrection (330.92826s) started
T12 << 1462346103.81858110 DistributedAtomicCorrection (331.36790s) stopped
T12 >> 1462346103.81862712 Distribute overlap matrix (6086.22953s) started
T12 >> 1462346103.81865191 blocked summation (3398.30983s) started
T12 << 1462346108.42693400 blocked summation (3402.91811s) stopped
T12 >> 1462346108.43591309 Scalapack redistribute (2680.09246s) started
T12 << 1462346112.09924793 Scalapack redistribute (2683.75579s) stopped
T12 << 1462346112.09935093 Distribute overlap matrix (6094.51025s) stopped
T12 >> 1462346112.10338092 Blacs Orbital Layouts (43574.84768s) started
T12 >> 1462346112.11246490 General diagonalize (43403.19557s) started
T12 << 1462346166.58158112 General diagonalize (43457.66469s) stopped
T12 >> 1462346166.58162594 Redistribute coefs (6.64917s) started
T12 << 1462346166.58983493 Redistribute coefs (6.65738s) stopped
T12 >> 1462346166.58991694 Send coefs to domains (157.71925s) started
T12 << 1462346166.71662307 Send coefs to domains (157.84596s) stopped
T12 << 1462346166.71711612 Blacs Orbital Layouts (43629.46142s) stopped
T12 >> 1462346166.71714401 Calculate projections (1414.14062s) started
T12 << 1462346168.48492694 Calculate projections (1415.90840s) stopped
T12 << 1462346168.48511004 LCAO eigensolver (52253.72818s) stopped
T12 >> 1462346171.57834792 Density (12244.86585s) started
T12 >> 1462346171.57836294 Pseudo density (9434.97826s) started
T12 >> 1462346171.58107591 Calculate density matrix (8857.66649s) started
T12 << 1462346183.67873907 Calculate density matrix (8869.76416s) stopped
T12 >> 1462346183.67879200 Construct density (562.36607s) started
T12 << 1462346184.46192193 Construct density (563.14920s) stopped
T12 >> 1462346184.47587395 Symmetrize density (0.06340s) started
T12 << 1462346184.47593904 Symmetrize density (0.06347s) stopped
T12 << 1462346184.47793889 Pseudo density (9447.87784s) stopped
T12 >> 1462346184.47799993 Atomic density matrices (2482.58647s) started
T12 << 1462346187.98374009 Atomic density matrices (2486.09221s) stopped
T12 >> 1462346187.98376989 Multipole moments (9.40360s) started
T12 << 1462346187.99940395 Multipole moments (9.41923s) stopped
T12 >> 1462346187.99943399 Normalize (5.01965s) started
T12 << 1462346188.00567007 Normalize (5.02589s) stopped
T12 >> 1462346188.00571799 Mix (312.81858s) started
T12 << 1462346188.37706208 Mix (313.18993s) stopped
T12 << 1462346188.37712407 Density (12261.66462s) stopped
T12 >> 1462346188.37715411 Hamiltonian (37188.21446s) started
T12 >> 1462346188.37717009 vbar (19.84277s) started
T12 << 1462346188.40247703 vbar (19.86808s) stopped
T12 >> 1462346188.40259910 XC 3D grid (20990.96357s) started
T12 >> 1462346188.99290490 van der Waals (20272.86809s) started
T12 >> 1462346189.10269189 semilocal (4283.88223s) started
T12 << 1462346194.87508297 semilocal (4289.65462s) stopped
T12 >> 1462346194.95383310 redistribute (2179.04609s) started
T12 << 1462346196.00994611 redistribute (2180.10221s) stopped
T12 >> 1462346196.00998712 libvdwxc nonlocal (13668.56541s) started
T12 << 1462346214.13578892 libvdwxc nonlocal (13686.69121s) stopped
T12 >> 1462346214.13585210 redistribute (2180.10224s) started
T12 << 1462346215.86689401 redistribute (2181.83328s) stopped
T12 << 1462346215.86774993 van der Waals (20299.74294s) stopped
T12 << 1462346216.33108211 XC 3D grid (21018.89205s) stopped
T12 >> 1462346216.33113194 Poisson (4337.83906s) started
T12 << 1462346224.87104607 Poisson (4346.37897s) stopped
T12 >> 1462346224.87111712 Hartree integrate/restrict (276.68586s) started
T12 << 1462346224.91437793 Hartree integrate/restrict (276.72912s) stopped
T12 >> 1462346224.91442204 Hartree integrate/restrict (276.72915s) started
T12 << 1462346225.22991705 Hartree integrate/restrict (277.04465s) stopped
T12 >> 1462346225.22998905 Atomic (1774.88049s) started
T12 >> 1462346225.23171806 XC Correction (0.02456s) started
T12 << 1462346225.23173308 XC Correction (0.02457s) stopped
T12 << 1462346227.62055302 Atomic (1777.27105s) stopped
T12 >> 1462346227.62073112 Communicate (9787.71372s) started
T12 << 1462346246.27408004 Communicate (9806.36707s) stopped
T12 << 1462346246.27411389 Hamiltonian (37246.11142s) stopped
T12 >> 1462346246.27413988 LCAO eigensolver (52253.72820s) started
T12 >> 1462346246.27415299 Potential matrix (778.54973s) started
T12 << 1462346247.26041698 Potential matrix (779.53600s) stopped
T12 >> 1462346247.26048803 DistributedAtomicCorrection (331.36794s) started
T12 << 1462346247.70470810 DistributedAtomicCorrection (331.81216s) stopped
T12 >> 1462346247.70475507 Distribute overlap matrix (6094.51027s) started
T12 >> 1462346247.70478606 blocked summation (3402.91814s) started
T12 << 1462346252.34737802 blocked summation (3407.56073s) stopped
T12 >> 1462346252.35640597 Scalapack redistribute (2683.75586s) started
T12 << 1462346256.06605101 Scalapack redistribute (2687.46550s) stopped
T12 << 1462346256.06610799 Distribute overlap matrix (6102.87162s) stopped
T12 >> 1462346256.07106805 Blacs Orbital Layouts (43629.46144s) started
T12 >> 1462346256.07979608 General diagonalize (43457.66472s) started
T12 << 1462346312.06672001 General diagonalize (43513.65165s) stopped
T12 >> 1462346312.06676507 Redistribute coefs (6.65745s) started
T12 << 1462346312.07490897 Redistribute coefs (6.66559s) stopped
T12 >> 1462346312.07498503 Send coefs to domains (157.84599s) started
T12 << 1462346312.17847991 Send coefs to domains (157.94949s) stopped
T12 << 1462346312.17886710 Blacs Orbital Layouts (43685.56923s) stopped
T12 >> 1462346312.17889500 Calculate projections (1415.90845s) started
T12 << 1462346313.94342589 Calculate projections (1417.67298s) stopped
T12 << 1462346313.94360900 LCAO eigensolver (52321.39767s) stopped
T12 >> 1462346317.02842307 Density (12261.66464s) started
T12 >> 1462346317.02843809 Pseudo density (9447.87789s) started
T12 >> 1462346317.03106594 Calculate density matrix (8869.76419s) started
T12 << 1462346328.91733789 Calculate density matrix (8881.65046s) stopped
T12 >> 1462346328.91738605 Construct density (563.14925s) started
T12 << 1462346329.69815493 Construct density (563.93002s) stopped
T12 >> 1462346329.71205091 Symmetrize density (0.06348s) started
T12 << 1462346329.71211600 Symmetrize density (0.06355s) stopped
T12 << 1462346329.71407604 Pseudo density (9460.56352s) stopped
T12 >> 1462346329.71413493 Atomic density matrices (2486.09223s) started
T12 << 1462346333.21680999 Atomic density matrices (2489.59491s) stopped
T12 >> 1462346333.21684408 Multipole moments (9.41925s) started
T12 << 1462346333.23251891 Multipole moments (9.43493s) stopped
T12 >> 1462346333.23254800 Normalize (5.02592s) started
T12 << 1462346333.23880696 Normalize (5.03218s) stopped
T12 >> 1462346333.23885393 Mix (313.18999s) started
T12 << 1462346333.65420890 Mix (313.60534s) stopped
T12 << 1462346333.65427589 Density (12278.29049s) stopped
T12 >> 1462346333.65430403 Hamiltonian (37246.11143s) started
T12 >> 1462346333.65432000 vbar (19.86815s) started
T12 << 1462346333.67812705 vbar (19.89196s) stopped
T12 >> 1462346333.67824888 XC 3D grid (21018.89209s) started
T12 >> 1462346334.22217703 van der Waals (20299.74297s) started
T12 >> 1462346334.33385611 semilocal (4289.65473s) started
T12 << 1462346340.08660793 semilocal (4295.40749s) stopped
T12 >> 1462346340.16147590 redistribute (2181.83333s) started
T12 << 1462346341.23830295 redistribute (2182.91016s) stopped
T12 >> 1462346341.23835492 libvdwxc nonlocal (13686.69126s) started
T12 << 1462346360.01981306 libvdwxc nonlocal (13705.47272s) stopped
T12 >> 1462346360.01985407 redistribute (2182.91019s) started
T12 << 1462346361.73483205 redistribute (2184.62517s) stopped
T12 << 1462346361.73567390 van der Waals (20327.25646s) stopped
T12 << 1462346362.20504904 XC 3D grid (21047.41889s) stopped
T12 >> 1462346362.20509696 Poisson (4346.37903s) started
T12 << 1462346368.06322408 Poisson (4352.23715s) stopped
T12 >> 1462346368.06334805 Hartree integrate/restrict (277.04468s) started
T12 << 1462346368.10918999 Hartree integrate/restrict (277.09052s) stopped
T12 >> 1462346368.10923195 Hartree integrate/restrict (277.09055s) started
T12 << 1462346368.46907902 Hartree integrate/restrict (277.45039s) stopped
T12 >> 1462346368.46918297 Atomic (1777.27107s) started
T12 >> 1462346368.47096896 XC Correction (0.02458s) started
T12 << 1462346368.47098303 XC Correction (0.02460s) stopped
T12 << 1462346370.85106707 Atomic (1779.65296s) stopped
T12 >> 1462346370.85124207 Communicate (9806.36709s) started
T12 << 1462346388.68916297 Communicate (9824.20502s) stopped
T12 << 1462346388.68920207 Hamiltonian (37301.14633s) stopped
T12 >> 1462346388.68922806 LCAO eigensolver (52321.39769s) started
T12 >> 1462346388.68924093 Potential matrix (779.53604s) started
T12 << 1462346389.66502094 Potential matrix (780.51182s) stopped
T12 >> 1462346389.66509295 DistributedAtomicCorrection (331.81220s) started
T12 << 1462346390.11296797 DistributedAtomicCorrection (332.26007s) stopped
T12 >> 1462346390.11302495 Distribute overlap matrix (6102.87163s) started
T12 >> 1462346390.11304688 blocked summation (3407.56077s) started
T12 << 1462346394.75104809 blocked summation (3412.19877s) stopped
T12 >> 1462346394.76012111 Scalapack redistribute (2687.46554s) started
T12 << 1462346398.43390107 Scalapack redistribute (2691.13932s) stopped
T12 << 1462346398.43402290 Distribute overlap matrix (6111.19263s) stopped
T12 >> 1462346398.43782210 Blacs Orbital Layouts (43685.56925s) started
T12 >> 1462346398.44612002 General diagonalize (43513.65168s) started
T12 << 1462346451.33878803 General diagonalize (43566.54435s) stopped
T12 >> 1462346451.33883691 Redistribute coefs (6.66565s) started
T12 << 1462346451.34728193 Redistribute coefs (6.67410s) stopped
T12 >> 1462346451.34735799 Send coefs to domains (157.94952s) started
T12 << 1462346451.59013009 Send coefs to domains (158.19229s) stopped
T12 << 1462346451.59050894 Blacs Orbital Layouts (43738.72194s) stopped
T12 >> 1462346451.59053802 Calculate projections (1417.67303s) started
T12 << 1462346453.35510302 Calculate projections (1419.43760s) stopped
T12 << 1462346453.35528708 LCAO eigensolver (52386.06375s) stopped
T12 >> 1462346456.43155289 Density (12278.29050s) started
T12 >> 1462346456.43156910 Pseudo density (9460.56357s) started
T12 >> 1462346456.43449998 Calculate density matrix (8881.65050s) started
T12 << 1462346468.42457390 Calculate density matrix (8893.64057s) stopped
T12 >> 1462346468.42462206 Construct density (563.93007s) started
T12 << 1462346469.20669603 Construct density (564.71214s) stopped
T12 >> 1462346469.22053909 Symmetrize density (0.06356s) started
T12 << 1462346469.22060394 Symmetrize density (0.06363s) stopped
T12 << 1462346469.22256494 Pseudo density (9473.35457s) stopped
T12 >> 1462346469.22262502 Atomic density matrices (2489.59493s) started
T12 << 1462346472.70909190 Atomic density matrices (2493.08140s) stopped
T12 >> 1462346472.70912600 Multipole moments (9.43494s) started
T12 << 1462346472.72478604 Multipole moments (9.45060s) stopped
T12 >> 1462346472.72481704 Normalize (5.03221s) started
T12 << 1462346472.73128891 Normalize (5.03868s) stopped
T12 >> 1462346472.73136806 Mix (313.60541s) started
T12 << 1462346473.15736103 Mix (314.03140s) stopped
T12 << 1462346473.15739608 Density (12295.01635s) stopped
T12 >> 1462346473.15742493 Hamiltonian (37301.14634s) started
T12 >> 1462346473.15743995 vbar (19.89203s) started
T12 << 1462346473.18064308 vbar (19.91523s) stopped
T12 >> 1462346473.18075895 XC 3D grid (21047.41893s) started
T12 >> 1462346473.67339396 van der Waals (20327.25649s) started
T12 >> 1462346473.78072095 semilocal (4295.40759s) started
T12 << 1462346479.52194691 semilocal (4301.14882s) stopped
T12 >> 1462346479.61086297 redistribute (2184.62523s) started
T12 << 1462346480.69427109 redistribute (2185.70863s) stopped
T12 >> 1462346480.69432402 libvdwxc nonlocal (13705.47275s) started
T12 << 1462346498.95623302 libvdwxc nonlocal (13723.73466s) stopped
T12 >> 1462346498.95629597 redistribute (2185.70867s) started
T12 << 1462346500.67860103 redistribute (2187.43097s) stopped
T12 << 1462346500.67962503 van der Waals (20354.26272s) stopped
T12 << 1462346501.14338493 XC 3D grid (21075.38155s) stopped
T12 >> 1462346501.14342690 Poisson (4352.23725s) started
T12 << 1462346506.91302490 Poisson (4358.00685s) stopped
T12 >> 1462346506.91309690 Hartree integrate/restrict (277.45045s) started
T12 << 1462346506.96232796 Hartree integrate/restrict (277.49968s) stopped
T12 >> 1462346506.96241403 Hartree integrate/restrict (277.49974s) started
T12 << 1462346507.29793406 Hartree integrate/restrict (277.83526s) stopped
T12 >> 1462346507.29809189 Atomic (1779.65298s) started
T12 >> 1462346507.30068302 XC Correction (0.02461s) started
T12 << 1462346507.30071211 XC Correction (0.02464s) stopped
T12 << 1462346509.67751789 Atomic (1782.03241s) stopped
T12 >> 1462346509.67769098 Communicate (9824.20504s) started
T12 << 1462346526.95213389 Communicate (9841.47948s) stopped
T12 << 1462346526.95217204 Hamiltonian (37354.94109s) stopped
T12 >> 1462346526.95219707 LCAO eigensolver (52386.06376s) started
T12 >> 1462346526.95220995 Potential matrix (780.51186s) started
T12 << 1462346527.93020701 Potential matrix (781.48986s) stopped
T12 >> 1462346527.93029308 DistributedAtomicCorrection (332.26011s) started
T12 << 1462346528.38774490 DistributedAtomicCorrection (332.71756s) stopped
T12 >> 1462346528.38780499 Distribute overlap matrix (6111.19264s) started
T12 >> 1462346528.38782811 blocked summation (3412.19880s) started
T12 << 1462346532.98666000 blocked summation (3416.79763s) stopped
T12 >> 1462346532.99609494 Scalapack redistribute (2691.13941s) started
T12 << 1462346536.83150697 Scalapack redistribute (2694.97482s) stopped
T12 << 1462346536.83159995 Distribute overlap matrix (6119.63644s) stopped
T12 >> 1462346536.83552194 Blacs Orbital Layouts (43738.72196s) started
T12 >> 1462346536.84393597 General diagonalize (43566.54439s) started
T12 << 1462346589.79100490 General diagonalize (43619.49146s) stopped
T12 >> 1462346589.79105806 Redistribute coefs (6.67416s) started
T12 << 1462346589.80041194 Redistribute coefs (6.68351s) stopped
T12 >> 1462346589.80047894 Send coefs to domains (158.19233s) started
T12 << 1462346589.92726111 Send coefs to domains (158.31911s) stopped
T12 << 1462346589.92780304 Blacs Orbital Layouts (43791.81424s) stopped
T12 >> 1462346589.92784309 Calculate projections (1419.43765s) started
T12 << 1462346591.70705009 Calculate projections (1421.21686s) stopped
T12 << 1462346591.70750308 LCAO eigensolver (52450.81907s) stopped
T12 >> 1462346594.76500893 Density (12295.01636s) started
T12 >> 1462346594.76502490 Pseudo density (9473.35462s) started
T12 >> 1462346594.76884890 Calculate density matrix (8893.64060s) started
T12 << 1462346606.72456908 Calculate density matrix (8905.59632s) stopped
T12 >> 1462346606.72462511 Construct density (564.71219s) started
T12 << 1462346607.50799108 Construct density (565.49556s) stopped
T12 >> 1462346607.52446795 Symmetrize density (0.06365s) started
T12 << 1462346607.52454400 Symmetrize density (0.06372s) stopped
T12 << 1462346607.52702093 Pseudo density (9486.11661s) stopped
T12 >> 1462346607.52708912 Atomic density matrices (2493.08143s) started
T12 << 1462346611.09797597 Atomic density matrices (2496.65231s) stopped
T12 >> 1462346611.09801412 Multipole moments (9.45062s) started
T12 << 1462346611.11355495 Multipole moments (9.46616s) stopped
T12 >> 1462346611.11358690 Normalize (5.03874s) started
T12 << 1462346611.12124109 Normalize (5.04640s) stopped
T12 >> 1462346611.12129211 Mix (314.03144s) started
T12 << 1462346611.58975601 Mix (314.49990s) stopped
T12 << 1462346611.58983207 Density (12311.84118s) stopped
T12 >> 1462346611.58986306 Hamiltonian (37354.94111s) started
T12 >> 1462346611.58987904 vbar (19.91529s) started
T12 << 1462346611.61755395 vbar (19.94297s) stopped
T12 >> 1462346611.61769700 XC 3D grid (21075.38159s) started
T12 >> 1462346612.10931206 van der Waals (20354.26275s) started
T12 >> 1462346612.22326207 semilocal (4301.14892s) started
T12 << 1462346618.02760792 semilocal (4306.95327s) stopped
T12 >> 1462346618.10245895 redistribute (2187.43103s) started
T12 << 1462346619.10387492 redistribute (2188.43244s) stopped
T12 >> 1462346619.10392499 libvdwxc nonlocal (13723.73470s) started
T12 << 1462346637.24137402 libvdwxc nonlocal (13741.87215s) stopped
T12 >> 1462346637.24145794 redistribute (2188.43248s) started
T12 << 1462346639.42284298 redistribute (2190.61387s) stopped
T12 << 1462346639.42392302 van der Waals (20381.57736s) stopped
T12 << 1462346639.89193606 XC 3D grid (21103.65582s) stopped
T12 >> 1462346639.89200211 Poisson (4358.00690s) started
T12 << 1462346645.68195605 Poisson (4363.79686s) stopped
T12 >> 1462346645.68207502 Hartree integrate/restrict (277.83534s) started
T12 << 1462346645.72077107 Hartree integrate/restrict (277.87403s) stopped
T12 >> 1462346645.72088289 Hartree integrate/restrict (277.87411s) started
T12 << 1462346646.05062103 Hartree integrate/restrict (278.20385s) stopped
T12 >> 1462346646.05073810 Atomic (1782.03243s) started
T12 >> 1462346646.05274105 XC Correction (0.02465s) started
T12 << 1462346646.05275989 XC Correction (0.02467s) stopped
T12 << 1462346648.43197608 Atomic (1784.41367s) stopped
T12 >> 1462346648.43217397 Communicate (9841.47951s) started
T12 << 1462346665.65245509 Communicate (9858.69979s) stopped
T12 << 1462346665.65249896 Hamiltonian (37409.00374s) stopped
T12 >> 1462346665.65252590 LCAO eigensolver (52450.81909s) started
T12 >> 1462346665.65256500 Potential matrix (781.48991s) started
T12 << 1462346666.63715291 Potential matrix (782.47450s) stopped
T12 >> 1462346666.63723612 DistributedAtomicCorrection (332.71760s) started
T12 << 1462346667.08968210 DistributedAtomicCorrection (333.17005s) stopped
T12 >> 1462346667.08974004 Distribute overlap matrix (6119.63645s) started
T12 >> 1462346667.08976507 blocked summation (3416.79766s) started
T12 << 1462346671.68559694 blocked summation (3421.39349s) stopped
T12 >> 1462346671.69521189 Scalapack redistribute (2694.97487s) started
T12 << 1462346675.46160197 Scalapack redistribute (2698.74126s) stopped
T12 << 1462346675.46171308 Distribute overlap matrix (6128.00842s) stopped
T12 >> 1462346675.46635294 Blacs Orbital Layouts (43791.81426s) started
T12 >> 1462346675.47516298 General diagonalize (43619.49150s) started
T12 << 1462346728.56569791 General diagonalize (43672.58204s) stopped
T12 >> 1462346728.56575394 Redistribute coefs (6.68357s) started
T12 << 1462346728.57464004 Redistribute coefs (6.69245s) stopped
T12 >> 1462346728.57469010 Send coefs to domains (158.31915s) started
T12 << 1462346728.87139606 Send coefs to domains (158.61585s) stopped
T12 << 1462346728.87183809 Blacs Orbital Layouts (43845.21974s) stopped
T12 >> 1462346728.87187409 Calculate projections (1421.21692s) started
T12 << 1462346730.65134811 Calculate projections (1422.99639s) stopped
T12 << 1462346730.65174103 LCAO eigensolver (52515.81830s) stopped
T12 >> 1462346733.72682595 Density (12311.84120s) started
T12 >> 1462346733.72684693 Pseudo density (9486.11667s) started
T12 >> 1462346733.72991610 Calculate density matrix (8905.59636s) started
T12 << 1462346745.75229812 Calculate density matrix (8917.61874s) stopped
T12 >> 1462346745.75235796 Construct density (565.49562s) started
T12 << 1462346746.53647995 Construct density (566.27974s) stopped
T12 >> 1462346746.55297709 Symmetrize density (0.06374s) started
T12 << 1462346746.55305290 Symmetrize density (0.06382s) stopped
T12 << 1462346746.55550003 Pseudo density (9498.94532s) stopped
T12 >> 1462346746.55556703 Atomic density matrices (2496.65234s) started
T12 << 1462346750.11128998 Atomic density matrices (2500.20806s) stopped
T12 >> 1462346750.11133003 Multipole moments (9.46618s) started
T12 << 1462346750.12693310 Multipole moments (9.48178s) stopped
T12 >> 1462346750.12696505 Normalize (5.04644s) started
T12 << 1462346750.13464808 Normalize (5.05412s) stopped
T12 >> 1462346750.13469601 Mix (314.49997s) started
T12 << 1462346750.62343192 Mix (314.98870s) stopped
T12 << 1462346750.62349510 Density (12328.73787s) stopped
T12 >> 1462346750.62352395 Hamiltonian (37409.00375s) started
T12 >> 1462346750.62353802 vbar (19.94305s) started
T12 << 1462346750.64892101 vbar (19.96843s) stopped
T12 >> 1462346750.64908004 XC 3D grid (21103.65588s) started
T12 >> 1462346751.13021207 van der Waals (20381.57738s) started
T12 >> 1462346751.24351692 semilocal (4306.95335s) started
T12 << 1462346757.06798410 semilocal (4312.77781s) stopped
T12 >> 1462346757.14407492 redistribute (2190.61393s) started
T12 << 1462346758.09135699 redistribute (2191.56121s) stopped
T12 >> 1462346758.09140706 libvdwxc nonlocal (13741.87222s) started
T12 << 1462346775.96961999 libvdwxc nonlocal (13759.75043s) stopped
T12 >> 1462346775.96969509 redistribute (2191.56125s) started
T12 << 1462346777.90762091 redistribute (2193.49918s) stopped
T12 << 1462346777.90876007 van der Waals (20408.35593s) stopped
T12 << 1462346778.36918592 XC 3D grid (21131.37598s) stopped
T12 >> 1462346778.36923599 Poisson (4363.79695s) started
T12 << 1462346782.66079402 Poisson (4368.08850s) stopped
T12 >> 1462346782.66087103 Hartree integrate/restrict (278.20391s) started
T12 << 1462346782.69915295 Hartree integrate/restrict (278.24219s) stopped
T12 >> 1462346782.69923711 Hartree integrate/restrict (278.24224s) started
T12 << 1462346783.01835895 Hartree integrate/restrict (278.56136s) stopped
T12 >> 1462346783.01846409 Atomic (1784.41369s) started
T12 >> 1462346783.02043509 XC Correction (0.02468s) started
T12 << 1462346783.02045393 XC Correction (0.02470s) stopped
T12 << 1462346785.40536308 Atomic (1786.80059s) stopped
T12 >> 1462346785.40556097 Communicate (9858.69982s) started
T12 << 1462346802.68954206 Communicate (9875.98380s) stopped
T12 << 1462346802.68958402 Hamiltonian (37461.06981s) stopped
T12 >> 1462346802.68961191 LCAO eigensolver (52515.81832s) started
T12 >> 1462346802.68962502 Potential matrix (782.47455s) started
T12 << 1462346803.66512704 Potential matrix (783.45005s) stopped
T12 >> 1462346803.66521001 DistributedAtomicCorrection (333.17008s) started
T12 << 1462346804.12219501 DistributedAtomicCorrection (333.62707s) stopped
T12 >> 1462346804.12225294 Distribute overlap matrix (6128.00844s) started
T12 >> 1462346804.12227798 blocked summation (3421.39353s) started
T12 << 1462346808.71719289 blocked summation (3425.98844s) stopped
T12 >> 1462346808.72722411 Scalapack redistribute (2698.74132s) started
T12 << 1462346812.61118007 Scalapack redistribute (2702.62528s) stopped
T12 << 1462346812.61128998 Distribute overlap matrix (6136.49747s) stopped
T12 >> 1462346812.61589789 Blacs Orbital Layouts (43845.21976s) started
T12 >> 1462346812.62439799 General diagonalize (43672.58208s) started
T12 << 1462346868.14811802 General diagonalize (43728.10580s) stopped
T12 >> 1462346868.14816999 Redistribute coefs (6.69249s) started
T12 << 1462346868.15696192 Redistribute coefs (6.70129s) stopped
T12 >> 1462346868.15700889 Send coefs to domains (158.61589s) started
T12 << 1462346868.41210008 Send coefs to domains (158.87098s) stopped
T12 << 1462346868.41249108 Blacs Orbital Layouts (43901.01636s) stopped
T12 >> 1462346868.41252589 Calculate projections (1422.99645s) started
T12 << 1462346870.19087195 Calculate projections (1424.77480s) stopped
T12 << 1462346870.19126797 LCAO eigensolver (52583.31998s) stopped
T12 >> 1462346873.27592301 Density (12328.73788s) started
T12 >> 1462346873.27593899 Pseudo density (9498.94537s) started
T12 >> 1462346873.27856898 Calculate density matrix (8917.61878s) started
T12 << 1462346885.17755294 Calculate density matrix (8929.51777s) stopped
T12 >> 1462346885.17761111 Construct density (566.27980s) started
T12 << 1462346885.96091604 Construct density (567.06310s) stopped
T12 >> 1462346885.97717690 Symmetrize density (0.06384s) started
T12 << 1462346885.97724795 Symmetrize density (0.06391s) stopped
T12 << 1462346885.97969198 Pseudo density (9511.64912s) stopped
T12 >> 1462346885.97975993 Atomic density matrices (2500.20810s) started
T12 << 1462346889.50457191 Atomic density matrices (2503.73291s) stopped
T12 >> 1462346889.50461102 Multipole moments (9.48180s) started
T12 << 1462346889.52014494 Multipole moments (9.49733s) stopped
T12 >> 1462346889.52017593 Normalize (5.05416s) started
T12 << 1462346889.52676392 Normalize (5.06074s) stopped
T12 >> 1462346889.52680898 Mix (314.98877s) started
T12 << 1462346889.99920392 Mix (315.46116s) stopped
T12 << 1462346889.99925995 Density (12345.46122s) stopped
T12 >> 1462346889.99928689 Hamiltonian (37461.06983s) started
T12 >> 1462346889.99930191 vbar (19.96852s) started
T12 << 1462346890.02085209 vbar (19.99007s) stopped
T12 >> 1462346890.02097392 XC 3D grid (21131.37602s) started
T12 >> 1462346890.52993011 van der Waals (20408.35596s) started
T12 >> 1462346890.64420891 semilocal (4312.77788s) started
T12 << 1462346896.43277502 semilocal (4318.56644s) stopped
T12 >> 1462346896.50494409 redistribute (2193.49924s) started
T12 << 1462346897.50983500 redistribute (2194.50413s) stopped
T12 >> 1462346897.50988603 libvdwxc nonlocal (13759.75049s) started
T12 << 1462346915.67483211 libvdwxc nonlocal (13777.91543s) stopped
T12 >> 1462346915.67491508 redistribute (2194.50417s) started
T12 << 1462346917.69646597 redistribute (2196.52572s) stopped
T12 << 1462346917.69752097 van der Waals (20435.52355s) stopped
T12 << 1462346918.16095805 XC 3D grid (21159.51600s) stopped
T12 >> 1462346918.16102505 Poisson (4368.08856s) started
T12 << 1462346922.50858212 Poisson (4372.43612s) stopped
T12 >> 1462346922.50867796 Hartree integrate/restrict (278.56142s) started
T12 << 1462346922.54596496 Hartree integrate/restrict (278.59871s) stopped
T12 >> 1462346922.54609203 Hartree integrate/restrict (278.59879s) started
T12 << 1462346922.87624097 Hartree integrate/restrict (278.92894s) stopped
T12 >> 1462346922.87632108 Atomic (1786.80062s) started
T12 >> 1462346922.87816095 XC Correction (0.02471s) started
T12 << 1462346922.87817597 XC Correction (0.02473s) stopped
T12 << 1462346925.26043892 Atomic (1789.18474s) stopped
T12 >> 1462346925.26062799 Communicate (9875.98383s) started
T12 << 1462346942.55227089 Communicate (9893.27547s) stopped
T12 << 1462346942.55231404 Hamiltonian (37513.62285s) stopped
T12 >> 1462346942.55234098 LCAO eigensolver (52583.32000s) started
T12 >> 1462346942.55235505 Potential matrix (783.45009s) started
T12 << 1462346943.53579807 Potential matrix (784.43354s) stopped
T12 >> 1462346943.53590012 DistributedAtomicCorrection (333.62711s) started
T12 << 1462346943.99265099 DistributedAtomicCorrection (334.08386s) stopped
T12 >> 1462346943.99271107 Distribute overlap matrix (6136.49749s) started
T12 >> 1462346943.99273610 blocked summation (3425.98848s) started
T12 << 1462346948.64219689 blocked summation (3430.63794s) stopped
T12 >> 1462346948.65185094 Scalapack redistribute (2702.62534s) started
T12 << 1462346952.41211700 Scalapack redistribute (2706.38561s) stopped
T12 << 1462346952.41224098 Distribute overlap matrix (6144.91702s) stopped
T12 >> 1462346952.41692090 Blacs Orbital Layouts (43901.01638s) started
T12 >> 1462346952.42553711 General diagonalize (43728.10584s) started
T12 << 1462347006.32895708 General diagonalize (43782.00926s) stopped
T12 >> 1462347006.32900310 Redistribute coefs (6.70132s) started
T12 << 1462347006.33721495 Redistribute coefs (6.70953s) stopped
T12 >> 1462347006.33728600 Send coefs to domains (158.87102s) started
T12 << 1462347006.58717108 Send coefs to domains (159.12091s) stopped
T12 << 1462347006.58788705 Blacs Orbital Layouts (43955.18734s) stopped
T12 >> 1462347006.58791804 Calculate projections (1424.77485s) started
T12 << 1462347008.35678196 Calculate projections (1426.54371s) stopped
T12 << 1462347008.35726190 LCAO eigensolver (52649.12492s) stopped
T12 >> 1462347011.45524907 Density (12345.46124s) started
T12 >> 1462347011.45526409 Pseudo density (9511.64918s) started
T12 >> 1462347011.45766497 Calculate density matrix (8929.51781s) started
T12 << 1462347023.35542393 Calculate density matrix (8941.41556s) stopped
T12 >> 1462347023.35547090 Construct density (567.06316s) started
T12 << 1462347024.13862205 Construct density (567.84631s) stopped
T12 >> 1462347024.15274692 Symmetrize density (0.06393s) started
T12 << 1462347024.15281391 Symmetrize density (0.06399s) stopped
T12 << 1462347024.15487599 Pseudo density (9524.34879s) stopped
T12 >> 1462347024.15493202 Atomic density matrices (2503.73293s) started
T12 << 1462347027.74872589 Atomic density matrices (2507.32673s) stopped
T12 >> 1462347027.74876094 Multipole moments (9.49735s) started
T12 << 1462347027.76437497 Multipole moments (9.51296s) stopped
T12 >> 1462347027.76440501 Normalize (5.06077s) started
T12 << 1462347027.77054811 Normalize (5.06692s) stopped
T12 >> 1462347027.77060008 Mix (315.46122s) started
T12 << 1462347028.20192003 Mix (315.89253s) stopped
T12 << 1462347028.20199800 Density (12362.20798s) stopped
T12 >> 1462347028.20203400 Hamiltonian (37513.62287s) started
T12 >> 1462347028.20205212 vbar (19.99014s) started
T12 << 1462347028.22582698 vbar (20.01392s) stopped
T12 >> 1462347028.22591305 XC 3D grid (21159.51606s) started
T12 >> 1462347028.74612403 van der Waals (20435.52358s) started
T12 >> 1462347028.85856104 semilocal (4318.56652s) started
T12 << 1462347034.70900989 semilocal (4324.41697s) stopped
T12 >> 1462347034.78703094 redistribute (2196.52579s) started
T12 << 1462347035.75428891 redistribute (2197.49305s) stopped
T12 >> 1462347035.75434089 libvdwxc nonlocal (13777.91550s) started
T12 << 1462347054.31541705 libvdwxc nonlocal (13796.47657s) stopped
T12 >> 1462347054.31548095 redistribute (2197.49308s) started
T12 << 1462347056.08616900 redistribute (2199.26377s) stopped
T12 << 1462347056.08736706 van der Waals (20462.86482s) stopped
T12 << 1462347056.55404401 XC 3D grid (21187.84419s) stopped
T12 >> 1462347056.55411291 Poisson (4372.43618s) started
T12 << 1462347059.48673797 Poisson (4375.36881s) stopped
T12 >> 1462347059.48686194 Hartree integrate/restrict (278.92898s) started
T12 << 1462347059.53593302 Hartree integrate/restrict (278.97805s) stopped
T12 >> 1462347059.53604794 Hartree integrate/restrict (278.97813s) started
T12 << 1462347059.86794209 Hartree integrate/restrict (279.31002s) stopped
T12 >> 1462347059.86803102 Atomic (1789.18476s) started
T12 >> 1462347059.86978889 XC Correction (0.02474s) started
T12 << 1462347059.86980510 XC Correction (0.02475s) stopped
T12 << 1462347062.26480389 Atomic (1791.58153s) stopped
T12 >> 1462347062.26496410 Communicate (9893.27550s) started
T12 << 1462347079.53963804 Communicate (9910.55018s) stopped
T12 << 1462347079.53967595 Hamiltonian (37564.96051s) stopped
T12 >> 1462347079.53970098 LCAO eigensolver (52649.12494s) started
T12 >> 1462347079.53971410 Potential matrix (784.43360s) started
T12 << 1462347080.51235104 Potential matrix (785.40623s) stopped
T12 >> 1462347080.51242304 DistributedAtomicCorrection (334.08390s) started
T12 << 1462347080.96802902 DistributedAtomicCorrection (334.53951s) stopped
T12 >> 1462347080.96808505 Distribute overlap matrix (6144.91703s) started
T12 >> 1462347080.96810699 blocked summation (3430.63797s) started
T12 << 1462347085.62646008 blocked summation (3435.29633s) stopped
T12 >> 1462347085.63617611 Scalapack redistribute (2706.38568s) started
T12 << 1462347089.35205889 Scalapack redistribute (2710.10156s) stopped
T12 << 1462347089.35212588 Distribute overlap matrix (6153.30107s) stopped
T12 >> 1462347089.35734296 Blacs Orbital Layouts (43955.18736s) started
T12 >> 1462347089.36587095 General diagonalize (43782.00930s) started
T12 << 1462347141.98381901 General diagonalize (43834.62725s) stopped
T12 >> 1462347141.98386407 Redistribute coefs (6.70959s) started
T12 << 1462347141.99194098 Redistribute coefs (6.71767s) stopped
T12 >> 1462347141.99201012 Send coefs to domains (159.12094s) started
T12 << 1462347142.11984301 Send coefs to domains (159.24877s) stopped
T12 << 1462347142.12022901 Blacs Orbital Layouts (44007.95025s) stopped
T12 >> 1462347142.12026000 Calculate projections (1426.54376s) started
T12 << 1462347143.88770199 Calculate projections (1428.31120s) stopped
T12 << 1462347143.88805795 LCAO eigensolver (52713.47329s) stopped
T12 << 1462347146.96773911 SCF-cycle (105200.87768s) stopped
T12 >> 1462347149.30616093 Force calculation (4983.33697s) started
T12 >> 1462347149.30624509 LCAO forces (4929.52384s) started
T12 >> 1462347149.30661297 Initial (0.00142s) started
T12 << 1462347149.30662489 Initial (0.00143s) stopped
T12 >> 1462347149.31343603 Get density matrix (2562.28243s) started
T12 << 1462347158.44746900 Get density matrix (2571.41647s) stopped
T12 >> 1462347158.44751096 Potential (387.99394s) started
T12 << 1462347164.72734594 Potential (394.27377s) stopped
T12 >> 1462347164.72740006 Get density matrix (2571.41650s) started
T12 << 1462347196.46091890 Get density matrix (2603.15002s) stopped
T12 >> 1462347196.46097708 Prepare TCI loop (138.02128s) started
T12 >> 1462347196.46150088 Get neighbors (122.87103s) started
T12 << 1462347198.35974598 Get neighbors (124.76928s) stopped
T12 >> 1462347198.36058497 broadcast dH (15.07591s) started
T12 << 1462347198.77108097 broadcast dH (15.48641s) stopped
T12 << 1462347198.77112293 Prepare TCI loop (140.33142s) stopped
T12 >> 1462347198.77114201 Not so complicated loop (7.51632s) started
T12 << 1462347198.88947701 Not so complicated loop (7.63466s) stopped
T12 >> 1462347199.08555794 Complicated loop (1193.25906s) started
T12 << 1462347218.69136310 Complicated loop (1212.86487s) stopped
T12 >> 1462347218.69344997 Wait for sum (632.35927s) started
T12 << 1462347229.82841396 Wait for sum (643.49423s) stopped
T12 << 1462347229.82844901 LCAO forces (5010.04604s) stopped
T12 << 1462347230.67066097 Force calculation (5064.70147s) stopped
T12 >> 1462347230.68850398 Initialization (8345.66853s) started
T12 << 1462347230.68867898 Initialization (8345.66871s) stopped
T12 >> 1462347230.68890810 Initialization (8345.66872s) started
T12 << 1462347230.68904495 Initialization (8345.66886s) stopped
T12 >> 1462347230.68918610 Initialization (8345.66888s) started
T12 << 1462347230.68932009 Initialization (8345.66901s) stopped
T12 >> 1462347250.95550799 Initialization (8345.66903s) started
T12 >> 1462347251.13991308 Basic WFS set positions (5.67379s) started
T12 >> 1462347251.13993692 Redistribute (0.01618s) started
T12 << 1462347251.14006591 Redistribute (0.01631s) stopped
T12 << 1462347251.22976303 Basic WFS set positions (5.76364s) stopped
T12 >> 1462347251.22979498 Basis functions set positions (119.63917s) started
T12 << 1462347253.20905590 Basis functions set positions (121.61843s) stopped
T12 >> 1462347253.20995307 TCI: Calculate S, T, P (988.09273s) started
T12 << 1462347269.12491798 TCI: Calculate S, T, P (1004.00770s) stopped
T12 >> 1462347269.12497211 blocked summation (1643.71497s) started
T12 << 1462347301.88887596 blocked summation (1676.47888s) stopped
T12 >> 1462347301.89756894 Scalapack redistribute (593.03759s) started
T12 << 1462347310.69642997 Scalapack redistribute (601.83645s) stopped
T12 >> 1462347310.69748306 blocked summation (1676.47891s) started
T12 << 1462347311.77005792 blocked summation (1677.55149s) stopped
T12 >> 1462347311.77950096 Scalapack redistribute (601.83649s) started
T12 << 1462347312.02106690 Scalapack redistribute (602.07806s) stopped
T12 >> 1462347312.02275109 Redistribute (0.12294s) started
T12 << 1462347312.02326608 Redistribute (0.12345s) stopped
T12 >> 1462347313.80374002 Redistribute (0.12347s) started
T12 << 1462347313.80419588 Redistribute (0.12392s) stopped
T12 >> 1462347313.81897998 LCAO WFS Initialize (4869.90524s) started
T12 >> 1462347313.81901693 Density initialize from wavefunctions (919.26658s) started
T12 >> 1462347313.82532191 Calculate density matrix (633.90752s) started
T12 << 1462347323.68511796 Calculate density matrix (643.76732s) stopped
T12 >> 1462347323.68516397 Construct density (48.60077s) started
T12 << 1462347324.46486306 Construct density (49.38047s) stopped
T12 >> 1462347324.47899890 Symmetrize density (0.00527s) started
T12 << 1462347324.47906208 Symmetrize density (0.00534s) stopped
T12 << 1462347328.29360604 Density initialize from wavefunctions (933.74117s) stopped
T12 >> 1462347328.29392791 Hamiltonian (3949.70454s) started
T12 >> 1462347328.29394603 vbar (1.81049s) started
T12 << 1462347328.31637597 vbar (1.83292s) stopped
T12 >> 1462347328.31649089 XC 3D grid (1849.28325s) started
T12 >> 1462347328.82085299 van der Waals (1786.36309s) started
T12 >> 1462347328.93126893 semilocal (376.42650s) started
T12 << 1462347334.71254897 semilocal (382.20778s) stopped
T12 >> 1462347334.79240799 redistribute (201.22498s) started
T12 << 1462347335.81573296 redistribute (202.24831s) stopped
T12 >> 1462347335.81577396 libvdwxc nonlocal (1196.26744s) started
T12 << 1462347354.59151912 libvdwxc nonlocal (1215.04318s) stopped
T12 >> 1462347354.59158707 redistribute (202.24834s) started
T12 << 1462347356.27834010 redistribute (203.93509s) stopped
T12 << 1462347356.27948093 van der Waals (1813.82172s) stopped
T12 << 1462347356.74876094 XC 3D grid (1877.71552s) stopped
T12 >> 1462347356.74880505 Poisson (921.26258s) started
T12 << 1462347369.86050105 Poisson (934.37427s) stopped
T12 >> 1462347369.86057210 Hartree integrate/restrict (24.30551s) started
T12 << 1462347369.90798593 Hartree integrate/restrict (24.35293s) stopped
T12 >> 1462347369.90805793 Hartree integrate/restrict (24.35297s) started
T12 << 1462347370.22292900 Hartree integrate/restrict (24.66784s) stopped
T12 >> 1462347370.22302794 Atomic (154.26373s) started
T12 >> 1462347370.22498107 XC Correction (0.00234s) started
T12 << 1462347370.22499609 XC Correction (0.00236s) stopped
T12 << 1462347372.61056089 Atomic (156.65126s) stopped
T12 >> 1462347372.61072898 Communicate (998.72753s) started
T12 << 1462347390.94729900 Communicate (1017.06410s) stopped
T12 << 1462347390.94733310 Hamiltonian (4012.35795s) stopped
T12 << 1462347390.94734693 LCAO WFS Initialize (4947.03361s) stopped
T12 << 1462347390.95956302 Initialization (8485.67308s) stopped
T12 >> 1462347390.98558092 SCF-cycle (105200.87770s) started
T12 >> 1462347390.98561597 LCAO eigensolver (52713.47331s) started
T12 >> 1462347390.98562908 Potential matrix (785.40628s) started
T12 << 1462347391.95988011 Potential matrix (786.38053s) stopped
T12 >> 1462347391.95996499 DistributedAtomicCorrection (334.53954s) started
T12 << 1462347392.40973711 DistributedAtomicCorrection (334.98932s) stopped
T12 >> 1462347392.40978789 Distribute overlap matrix (6153.30108s) started
T12 >> 1462347392.40981507 blocked summation (3435.29636s) started
T12 << 1462347397.07782102 blocked summation (3439.96436s) stopped
T12 >> 1462347397.08809209 Scalapack redistribute (2710.10159s) started
T12 << 1462347400.84975910 Scalapack redistribute (2713.86326s) stopped
T12 << 1462347400.84984803 Distribute overlap matrix (6161.74115s) stopped
T12 >> 1462347400.85384798 Blacs Orbital Layouts (44007.95027s) started
T12 >> 1462347400.86272001 General diagonalize (43834.62729s) started
T12 << 1462347455.71347189 General diagonalize (43889.47804s) stopped
T12 >> 1462347455.71352506 Redistribute coefs (6.71773s) started
T12 << 1462347455.72253704 Redistribute coefs (6.72674s) stopped
T12 >> 1462347455.72259307 Send coefs to domains (159.24880s) started
T12 << 1462347455.83074903 Send coefs to domains (159.35696s) stopped
T12 << 1462347455.83131504 Blacs Orbital Layouts (44062.92773s) stopped
T12 >> 1462347455.83134604 Calculate projections (1428.31126s) started
T12 << 1462347457.61311412 Calculate projections (1430.09302s) stopped
T12 << 1462347457.61336899 LCAO eigensolver (52780.10107s) stopped
T12 >> 1462347460.69769502 Density (12362.20800s) started
T12 >> 1462347460.69771194 Pseudo density (9524.34883s) started
T12 >> 1462347460.70116401 Calculate density matrix (8941.41560s) started
T12 << 1462347472.61376810 Calculate density matrix (8953.32820s) stopped
T12 >> 1462347472.61383104 Construct density (567.84636s) started
T12 << 1462347473.39822793 Construct density (568.63076s) stopped
T12 >> 1462347473.41458392 Symmetrize density (0.06401s) started
T12 << 1462347473.41466308 Symmetrize density (0.06409s) stopped
T12 << 1462347473.41721296 Pseudo density (9537.06834s) stopped
T12 >> 1462347473.41728210 Atomic density matrices (2507.32676s) started
T12 << 1462347476.89758205 Atomic density matrices (2510.80705s) stopped
T12 >> 1462347476.89761806 Multipole moments (9.51298s) started
T12 << 1462347476.91255999 Multipole moments (9.52792s) stopped
T12 >> 1462347476.91258597 Normalize (5.06695s) started
T12 << 1462347476.92044497 Normalize (5.07481s) stopped
T12 >> 1462347476.92049503 Mix (315.89261s) started
T12 << 1462347477.32508111 Mix (316.29720s) stopped
T12 << 1462347477.32511210 Density (12378.83542s) stopped
T12 >> 1462347477.32513809 Hamiltonian (37564.96052s) started
T12 >> 1462347477.32515311 vbar (20.01396s) started
T12 << 1462347477.35281706 vbar (20.04163s) stopped
T12 >> 1462347477.35298109 XC 3D grid (21187.84425s) started
T12 >> 1462347477.81675100 van der Waals (20462.86484s) started
T12 >> 1462347477.92516494 semilocal (4324.41705s) started
T12 << 1462347483.62465310 semilocal (4330.11654s) stopped
T12 >> 1462347483.70960808 redistribute (2199.26382s) started
T12 << 1462347484.79060102 redistribute (2200.34482s) stopped
T12 >> 1462347484.79064488 libvdwxc nonlocal (13796.47662s) started
T12 << 1462347503.09474492 libvdwxc nonlocal (13814.78072s) stopped
T12 >> 1462347503.09482503 redistribute (2200.34485s) started
T12 << 1462347504.79421496 redistribute (2202.04424s) stopped
T12 << 1462347504.79535794 van der Waals (20489.84345s) stopped
T12 << 1462347505.25351095 XC 3D grid (21215.74478s) stopped
T12 >> 1462347505.25355005 Poisson (4375.36891s) started
T12 << 1462347509.81974792 Poisson (4379.93510s) stopped
T12 >> 1462347509.81981397 Hartree integrate/restrict (279.31007s) started
T12 << 1462347509.87031102 Hartree integrate/restrict (279.36057s) stopped
T12 >> 1462347509.87040901 Hartree integrate/restrict (279.36064s) started
T12 << 1462347510.20596409 Hartree integrate/restrict (279.69620s) stopped
T12 >> 1462347510.20606208 Atomic (1791.58156s) started
T12 >> 1462347510.20796800 XC Correction (0.02476s) started
T12 << 1462347510.20798302 XC Correction (0.02478s) stopped
T12 << 1462347512.60376501 Atomic (1793.97926s) stopped
T12 >> 1462347512.60394406 Communicate (9910.55020s) started
T12 << 1462347530.95484805 Communicate (9928.90111s) stopped
T12 << 1462347530.95488405 Hamiltonian (37618.59027s) stopped
T12 >> 1462347530.95490909 LCAO eigensolver (52780.10109s) started
T12 >> 1462347530.95492196 Potential matrix (786.38058s) started
T12 << 1462347531.93272209 Potential matrix (787.35838s) stopped
T12 >> 1462347531.93281102 DistributedAtomicCorrection (334.98935s) started
T12 << 1462347532.38968492 DistributedAtomicCorrection (335.44623s) stopped
T12 >> 1462347532.38973188 Distribute overlap matrix (6161.74116s) started
T12 >> 1462347532.38975906 blocked summation (3439.96441s) started
T12 << 1462347537.01504397 blocked summation (3444.58970s) stopped
T12 >> 1462347537.02520895 Scalapack redistribute (2713.86331s) started
T12 << 1462347540.88138700 Scalapack redistribute (2717.71949s) stopped
T12 << 1462347540.88146591 Distribute overlap matrix (6170.23289s) stopped
T12 >> 1462347540.88527203 Blacs Orbital Layouts (44062.92775s) started
T12 >> 1462347540.89407802 General diagonalize (43889.47808s) started
T12 << 1462347594.66159105 General diagonalize (43943.24559s) stopped
T12 >> 1462347594.66163802 Redistribute coefs (6.72678s) started
T12 << 1462347594.66963792 Redistribute coefs (6.73478s) stopped
T12 >> 1462347594.66968107 Send coefs to domains (159.35700s) started
T12 << 1462347594.96987009 Send coefs to domains (159.65718s) stopped
T12 << 1462347594.97031093 Blacs Orbital Layouts (44117.01279s) stopped
T12 >> 1462347594.97033906 Calculate projections (1430.09308s) started
T12 << 1462347596.73869300 Calculate projections (1431.86143s) stopped
T12 << 1462347596.73906708 LCAO eigensolver (52845.88524s) stopped
T12 >> 1462347599.88076591 Density (12378.83543s) started
T12 >> 1462347599.88078403 Pseudo density (9537.06839s) started
T12 >> 1462347599.88319993 Calculate density matrix (8953.32824s) started
T12 << 1462347611.70586991 Calculate density matrix (8965.15091s) stopped
T12 >> 1462347611.70591903 Construct density (568.63082s) started
T12 << 1462347612.48816204 Construct density (569.41306s) stopped
T12 >> 1462347612.50207210 Symmetrize density (0.06411s) started
T12 << 1462347612.50213599 Symmetrize density (0.06417s) stopped
T12 << 1462347612.50419688 Pseudo density (9549.69180s) stopped
T12 >> 1462347612.50425506 Atomic density matrices (2510.80708s) started
T12 << 1462347615.98436189 Atomic density matrices (2514.28719s) stopped
T12 >> 1462347615.98439288 Multipole moments (9.52794s) started
T12 << 1462347615.99999094 Multipole moments (9.54354s) stopped
T12 >> 1462347616.00002289 Normalize (5.07485s) started
T12 << 1462347616.00624895 Normalize (5.08107s) stopped
T12 >> 1462347616.00629997 Mix (316.29723s) started
T12 << 1462347616.37080503 Mix (316.66173s) stopped
T12 << 1462347616.37085795 Density (12395.32552s) stopped
T12 >> 1462347616.37088490 Hamiltonian (37618.59028s) started
T12 >> 1462347616.37089992 vbar (20.04172s) started
T12 << 1462347616.39478898 vbar (20.06561s) stopped
T12 >> 1462347616.39489102 XC 3D grid (21215.74481s) started
T12 >> 1462347616.88500500 van der Waals (20489.84348s) started
T12 >> 1462347616.99600410 semilocal (4330.11665s) started
T12 << 1462347622.71897101 semilocal (4335.83962s) stopped
T12 >> 1462347622.79936004 redistribute (2202.04430s) started
T12 << 1462347623.89224291 redistribute (2203.13718s) stopped
T12 >> 1462347623.89228702 libvdwxc nonlocal (13814.78079s) started
T12 << 1462347642.51659298 libvdwxc nonlocal (13833.40509s) stopped
T12 >> 1462347642.51665902 redistribute (2203.13721s) started
T12 << 1462347644.24772596 redistribute (2204.86828s) stopped
T12 << 1462347644.24897599 van der Waals (20517.20745s) stopped
T12 << 1462347644.71414089 XC 3D grid (21244.06406s) stopped
T12 >> 1462347644.71418405 Poisson (4379.93515s) started
T12 << 1462347652.14970493 Poisson (4387.37067s) stopped
T12 >> 1462347652.14976692 Hartree integrate/restrict (279.69625s) started
T12 << 1462347652.19596410 Hartree integrate/restrict (279.74245s) stopped
T12 >> 1462347652.19601893 Hartree integrate/restrict (279.74248s) started
T12 << 1462347652.51626301 Hartree integrate/restrict (280.06272s) stopped
T12 >> 1462347652.51634502 Atomic (1793.97928s) started
T12 >> 1462347652.51806307 XC Correction (0.02479s) started
T12 << 1462347652.51807809 XC Correction (0.02480s) stopped
T12 << 1462347654.93800902 Atomic (1796.40095s) stopped
T12 >> 1462347654.93818402 Communicate (9928.90113s) started
T12 << 1462347673.32369208 Communicate (9947.28664s) stopped
T12 << 1462347673.32372904 Hamiltonian (37675.54312s) stopped
T12 >> 1462347673.32375407 LCAO eigensolver (52845.88526s) started
T12 >> 1462347673.32376695 Potential matrix (787.35843s) started
T12 << 1462347674.30053711 Potential matrix (788.33520s) stopped
T12 >> 1462347674.30060792 DistributedAtomicCorrection (335.44627s) started
T12 << 1462347674.75600290 DistributedAtomicCorrection (335.90166s) stopped
T12 >> 1462347674.75605106 Distribute overlap matrix (6170.23290s) started
T12 >> 1462347674.75607800 blocked summation (3444.58973s) started
T12 << 1462347679.51445198 blocked summation (3449.34810s) stopped
T12 >> 1462347679.52412796 Scalapack redistribute (2717.71955s) started
T12 << 1462347683.14053702 Scalapack redistribute (2721.33596s) stopped
T12 << 1462347683.14062095 Distribute overlap matrix (6178.61747s) stopped
T12 >> 1462347683.14467502 Blacs Orbital Layouts (44117.01281s) started
T12 >> 1462347683.15359902 General diagonalize (43943.24563s) started
T12 << 1462347737.47287202 General diagonalize (43997.56490s) stopped
T12 >> 1462347737.47291708 Redistribute coefs (6.73482s) started
T12 << 1462347737.48087502 Redistribute coefs (6.74277s) stopped
T12 >> 1462347737.48092604 Send coefs to domains (159.65722s) started
T12 << 1462347737.58655405 Send coefs to domains (159.76284s) stopped
T12 << 1462347737.58699989 Blacs Orbital Layouts (44171.45514s) stopped
T12 >> 1462347737.58702803 Calculate projections (1431.86148s) started
T12 << 1462347739.35575199 Calculate projections (1433.63020s) stopped
T12 << 1462347739.35612702 LCAO eigensolver (52911.91763s) stopped
T12 >> 1462347742.49588299 Density (12395.32553s) started
T12 >> 1462347742.49589705 Pseudo density (9549.69185s) started
T12 >> 1462347742.49837804 Calculate density matrix (8965.15095s) started
T12 << 1462347754.31629801 Calculate density matrix (8976.96887s) stopped
T12 >> 1462347754.31634498 Construct density (569.41311s) started
T12 << 1462347755.09915590 Construct density (570.19592s) stopped
T12 >> 1462347755.11389899 Symmetrize density (0.06419s) started
T12 << 1462347755.11396289 Symmetrize density (0.06425s) stopped
T12 << 1462347755.11604810 Pseudo density (9562.31200s) stopped
T12 >> 1462347755.11610603 Atomic density matrices (2514.28722s) started
T12 << 1462347758.62146807 Atomic density matrices (2517.79258s) stopped
T12 >> 1462347758.62149906 Multipole moments (9.54355s) started
T12 << 1462347758.63727593 Multipole moments (9.55933s) stopped
T12 >> 1462347758.63730788 Normalize (5.08111s) started
T12 << 1462347758.64383101 Normalize (5.08763s) stopped
T12 >> 1462347758.64388108 Mix (316.66179s) started
T12 << 1462347759.01612401 Mix (317.03403s) stopped
T12 << 1462347759.01622510 Density (12411.84588s) stopped
T12 >> 1462347759.01626205 Hamiltonian (37675.54314s) started
T12 >> 1462347759.01627898 vbar (20.06566s) started
T12 << 1462347759.03729010 vbar (20.08667s) stopped
T12 >> 1462347759.03738904 XC 3D grid (21244.06409s) started
T12 >> 1462347759.55913305 van der Waals (20517.20747s) started
T12 >> 1462347759.66602898 semilocal (4335.83973s) started
T12 << 1462347765.45716691 semilocal (4341.63087s) stopped
T12 >> 1462347765.53100801 redistribute (2204.86833s) started
T12 << 1462347766.50301194 redistribute (2205.84034s) stopped
T12 >> 1462347766.50305295 libvdwxc nonlocal (13833.40514s) started
T12 << 1462347785.56467891 libvdwxc nonlocal (13852.46677s) stopped
T12 >> 1462347785.56472611 redistribute (2205.84037s) started
T12 << 1462347787.21978092 redistribute (2207.49542s) stopped
T12 << 1462347787.22075796 van der Waals (20544.86910s) stopped
T12 << 1462347787.68589306 XC 3D grid (21272.71259s) stopped
T12 >> 1462347787.68595791 Poisson (4387.37072s) started
T12 << 1462347797.86770010 Poisson (4397.55246s) stopped
T12 >> 1462347797.86786604 Hartree integrate/restrict (280.06276s) started
T12 << 1462347797.91163206 Hartree integrate/restrict (280.10652s) stopped
T12 >> 1462347797.91176200 Hartree integrate/restrict (280.10661s) started
T12 << 1462347798.22802091 Hartree integrate/restrict (280.42287s) stopped
T12 >> 1462347798.22812295 Atomic (1796.40097s) started
T12 >> 1462347798.23005605 XC Correction (0.02481s) started
T12 << 1462347798.23007107 XC Correction (0.02483s) stopped
T12 << 1462347800.66288590 Atomic (1798.83573s) stopped
T12 >> 1462347800.66309190 Communicate (9947.28666s) started
T12 << 1462347818.93337107 Communicate (9965.55694s) stopped
T12 << 1462347818.93341088 Hamiltonian (37735.46029s) stopped
T12 >> 1462347818.93343711 LCAO eigensolver (52911.91765s) started
T12 >> 1462347818.93345094 Potential matrix (788.33524s) started
T12 << 1462347819.92224598 Potential matrix (789.32404s) stopped
T12 >> 1462347819.92232800 DistributedAtomicCorrection (335.90170s) started
T12 << 1462347820.38221598 DistributedAtomicCorrection (336.36159s) stopped
T12 >> 1462347820.38226509 Distribute overlap matrix (6178.61749s) started
T12 >> 1462347820.38229489 blocked summation (3449.34813s) started
T12 << 1462347825.10980010 blocked summation (3454.07564s) stopped
T12 >> 1462347825.11851406 Scalapack redistribute (2721.33603s) started
T12 << 1462347828.79853106 Scalapack redistribute (2725.01604s) stopped
T12 << 1462347828.79861808 Distribute overlap matrix (6187.03384s) stopped
T12 >> 1462347828.80303192 Blacs Orbital Layouts (44171.45516s) started
T12 >> 1462347828.81188989 General diagonalize (43997.56494s) started
T12 << 1462347884.09429502 General diagonalize (44052.84735s) stopped
T12 >> 1462347884.09434700 Redistribute coefs (6.74281s) started
T12 << 1462347884.10288405 Redistribute coefs (6.75135s) stopped
T12 >> 1462347884.10293102 Send coefs to domains (159.76288s) started
T12 << 1462347884.48130107 Send coefs to domains (160.14125s) stopped
T12 << 1462347884.48172402 Blacs Orbital Layouts (44227.13385s) stopped
T12 >> 1462347884.48175311 Calculate projections (1433.63025s) started
T12 << 1462347886.26135111 Calculate projections (1435.40985s) stopped
T12 << 1462347886.26155996 LCAO eigensolver (52979.24577s) stopped
T12 >> 1462347889.38908505 Density (12411.84589s) started
T12 >> 1462347889.38910007 Pseudo density (9562.31205s) started
T12 >> 1462347889.39201403 Calculate density matrix (8976.96890s) started
T12 << 1462347901.28586197 Calculate density matrix (8988.86275s) stopped
T12 >> 1462347901.28591895 Construct density (570.19597s) started
T12 << 1462347902.07113791 Construct density (570.98119s) stopped
T12 >> 1462347902.08768511 Symmetrize density (0.06427s) started
T12 << 1462347902.08776093 Symmetrize density (0.06435s) stopped
T12 << 1462347902.09025598 Pseudo density (9575.01320s) stopped
T12 >> 1462347902.09032798 Atomic density matrices (2517.79260s) started
T12 << 1462347905.60688496 Atomic density matrices (2521.30916s) stopped
T12 >> 1462347905.60692310 Multipole moments (9.55935s) started
T12 << 1462347905.62245488 Multipole moments (9.57488s) stopped
T12 >> 1462347905.62249088 Normalize (5.08767s) started
T12 << 1462347905.62930298 Normalize (5.09448s) stopped
T12 >> 1462347905.62935305 Mix (317.03413s) started
T12 << 1462347906.06987309 Mix (317.47465s) stopped
T12 << 1462347906.06993699 Density (12428.52674s) stopped
T12 >> 1462347906.06996703 Hamiltonian (37735.46030s) started
T12 >> 1462347906.06998301 vbar (20.08673s) started
T12 << 1462347906.10030890 vbar (20.11706s) stopped
T12 >> 1462347906.10050797 XC 3D grid (21272.71265s) started
T12 >> 1462347906.58465004 van der Waals (20544.86912s) started
T12 >> 1462347906.69974399 semilocal (4341.63094s) started
T12 << 1462347912.50161004 semilocal (4347.43281s) stopped
T12 >> 1462347912.57896900 redistribute (2207.49548s) started
T12 << 1462347913.58503389 redistribute (2208.50154s) stopped
T12 >> 1462347913.58512092 libvdwxc nonlocal (13852.46681s) started
T12 << 1462347931.76949406 libvdwxc nonlocal (13870.65118s) stopped
T12 >> 1462347931.76957893 redistribute (2208.50160s) started
T12 << 1462347933.80294704 redistribute (2210.53497s) stopped
T12 << 1462347933.80386591 van der Waals (20572.08833s) stopped
T12 << 1462347934.26545596 XC 3D grid (21300.87760s) stopped
T12 >> 1462347934.26552200 Poisson (4397.55259s) started
T12 << 1462347940.07660198 Poisson (4403.36367s) stopped
T12 >> 1462347940.07669091 Hartree integrate/restrict (280.42292s) started
T12 << 1462347940.11723709 Hartree integrate/restrict (280.46347s) stopped
T12 >> 1462347940.11739397 Hartree integrate/restrict (280.46357s) started
T12 << 1462347940.44669199 Hartree integrate/restrict (280.79287s) stopped
T12 >> 1462347940.44678998 Atomic (1798.83576s) started
T12 >> 1462347940.44868493 XC Correction (0.02484s) started
T12 << 1462347940.44870090 XC Correction (0.02485s) stopped
T12 << 1462347942.86327195 Atomic (1801.25224s) stopped
T12 >> 1462347942.86347699 Communicate (9965.55697s) started
T12 << 1462347960.31070089 Communicate (9983.00419s) stopped
T12 << 1462347960.31074405 Hamiltonian (37789.70108s) stopped
T12 >> 1462347960.31077290 LCAO eigensolver (52979.24579s) started
T12 >> 1462347960.31078601 Potential matrix (789.32408s) started
T12 << 1462347961.28781891 Potential matrix (790.30111s) stopped
T12 >> 1462347961.28790402 DistributedAtomicCorrection (336.36163s) started
T12 << 1462347961.76447010 DistributedAtomicCorrection (336.83820s) stopped
T12 >> 1462347961.76453209 Distribute overlap matrix (6187.03385s) started
T12 >> 1462347961.76455688 blocked summation (3454.07570s) started
T12 << 1462347966.46495891 blocked summation (3458.77610s) stopped
T12 >> 1462347966.47473693 Scalapack redistribute (2725.01611s) started
T12 << 1462347970.13443494 Scalapack redistribute (2728.67580s) stopped
T12 << 1462347970.13456297 Distribute overlap matrix (6195.40388s) stopped
T12 >> 1462347970.13938904 Blacs Orbital Layouts (44227.13387s) started
T12 >> 1462347970.14808702 General diagonalize (44052.84739s) started
T12 << 1462348025.76483393 General diagonalize (44108.46414s) stopped
T12 >> 1462348025.76488805 Redistribute coefs (6.75139s) started
T12 << 1462348025.77351308 Redistribute coefs (6.76001s) stopped
T12 >> 1462348025.77356100 Send coefs to domains (160.14129s) started
T12 << 1462348026.11773205 Send coefs to domains (160.48546s) stopped
T12 << 1462348026.11819696 Blacs Orbital Layouts (44283.11268s) stopped
T12 >> 1462348026.11823010 Calculate projections (1435.40991s) started
T12 << 1462348027.89672089 Calculate projections (1437.18840s) stopped
T12 << 1462348027.89721608 LCAO eigensolver (53046.83224s) stopped
T12 >> 1462348030.99589491 Density (12428.52676s) started
T12 >> 1462348030.99591208 Pseudo density (9575.01326s) started
T12 >> 1462348030.99818802 Calculate density matrix (8988.86279s) started
T12 << 1462348042.82116508 Calculate density matrix (9000.68577s) stopped
T12 >> 1462348042.82121205 Construct density (570.98125s) started
T12 << 1462348043.60188508 Construct density (571.76192s) stopped
T12 >> 1462348043.61550498 Symmetrize density (0.06437s) started
T12 << 1462348043.61556697 Symmetrize density (0.06443s) stopped
T12 << 1462348043.61765790 Pseudo density (9587.63501s) stopped
T12 >> 1462348043.61771607 Atomic density matrices (2521.30919s) started
T12 << 1462348047.22807693 Atomic density matrices (2524.91955s) stopped
T12 >> 1462348047.22811103 Multipole moments (9.57490s) started
T12 << 1462348047.24359488 Multipole moments (9.59038s) stopped
T12 >> 1462348047.24362707 Normalize (5.09452s) started
T12 << 1462348047.24980211 Normalize (5.10069s) stopped
T12 >> 1462348047.24989700 Mix (317.47471s) started
T12 << 1462348047.66827393 Mix (317.89309s) stopped
T12 << 1462348047.66834402 Density (12445.19921s) stopped
T12 >> 1462348047.66837692 Hamiltonian (37789.70109s) started
T12 >> 1462348047.66839194 vbar (20.11717s) started
T12 << 1462348047.69066310 vbar (20.13944s) stopped
T12 >> 1462348047.69075799 XC 3D grid (21300.87765s) started
T12 >> 1462348048.19710803 van der Waals (20572.08836s) started
T12 >> 1462348048.30640507 semilocal (4347.43289s) started
T12 << 1462348054.05999804 semilocal (4353.18649s) stopped
T12 >> 1462348054.14076900 redistribute (2210.53503s) started
T12 << 1462348055.17309189 redistribute (2211.56735s) stopped
T12 >> 1462348055.17314601 libvdwxc nonlocal (13870.65124s) started
T12 << 1462348073.78193092 libvdwxc nonlocal (13889.26003s) stopped
T12 >> 1462348073.78200006 redistribute (2211.56738s) started
T12 << 1462348075.47720695 redistribute (2213.26259s) stopped
T12 << 1462348075.47818494 van der Waals (20599.36943s) stopped
T12 << 1462348075.95016098 XC 3D grid (21329.13705s) stopped
T12 >> 1462348075.95020890 Poisson (4403.36373s) started
T12 << 1462348080.37019205 Poisson (4407.78371s) stopped
T12 >> 1462348080.37029195 Hartree integrate/restrict (280.79292s) started
T12 << 1462348080.41117501 Hartree integrate/restrict (280.83380s) stopped
T12 >> 1462348080.41135097 Hartree integrate/restrict (280.83392s) started
T12 << 1462348080.76053405 Hartree integrate/restrict (281.18311s) stopped
T12 >> 1462348080.76060605 Atomic (1801.25227s) started
T12 >> 1462348080.76233792 XC Correction (0.02486s) started
T12 << 1462348080.76235199 XC Correction (0.02488s) stopped
T12 << 1462348083.18013597 Atomic (1803.67180s) stopped
T12 >> 1462348083.18031096 Communicate (9983.00422s) started
T12 << 1462348099.93618298 Communicate (9999.76009s) stopped
T12 << 1462348099.93622088 Hamiltonian (37841.96893s) stopped
T12 >> 1462348099.93624592 LCAO eigensolver (53046.83226s) started
T12 >> 1462348099.93625998 Potential matrix (790.30116s) started
T12 << 1462348100.91585898 Potential matrix (791.28076s) stopped
T12 >> 1462348100.91594410 DistributedAtomicCorrection (336.83823s) started
T12 << 1462348101.37053704 DistributedAtomicCorrection (337.29283s) stopped
T12 >> 1462348101.37059689 Distribute overlap matrix (6195.40390s) started
T12 >> 1462348101.37061906 blocked summation (3458.77614s) started
T12 << 1462348106.08261895 blocked summation (3463.48814s) stopped
T12 >> 1462348106.09188890 Scalapack redistribute (2728.67587s) started
T12 << 1462348109.80523992 Scalapack redistribute (2732.38922s) stopped
T12 << 1462348109.80534410 Distribute overlap matrix (6203.83864s) stopped
T12 >> 1462348109.81001806 Blacs Orbital Layouts (44283.11270s) started
T12 >> 1462348109.81899905 General diagonalize (44108.46418s) started
T12 << 1462348162.51775289 General diagonalize (44161.16293s) stopped
T12 >> 1462348162.51782990 Redistribute coefs (6.76005s) started
T12 << 1462348162.52631092 Redistribute coefs (6.76853s) stopped
T12 >> 1462348162.52635503 Send coefs to domains (160.48550s) started
T12 << 1462348162.65147591 Send coefs to domains (160.61062s) stopped
T12 << 1462348162.65191388 Blacs Orbital Layouts (44335.95459s) stopped
T12 >> 1462348162.65194511 Calculate projections (1437.18846s) started
T12 << 1462348164.42033505 Calculate projections (1438.95685s) stopped
T12 << 1462348164.42051101 LCAO eigensolver (53111.31652s) stopped
T12 >> 1462348167.53621602 Density (12445.19922s) started
T12 >> 1462348167.53623104 Pseudo density (9587.63505s) started
T12 >> 1462348167.53838706 Calculate density matrix (9000.68580s) started
T12 << 1462348179.50799608 Calculate density matrix (9012.65541s) stopped
T12 >> 1462348179.50804496 Construct density (571.76197s) started
T12 << 1462348180.28990889 Construct density (572.54383s) stopped
T12 >> 1462348180.30399489 Symmetrize density (0.06444s) started
T12 << 1462348180.30405307 Symmetrize density (0.06450s) stopped
T12 << 1462348180.30614901 Pseudo density (9600.40497s) stopped
T12 >> 1462348180.30620694 Atomic density matrices (2524.91957s) started
T12 << 1462348183.79539108 Atomic density matrices (2528.40876s) stopped
T12 >> 1462348183.79542494 Multipole moments (9.59040s) started
T12 << 1462348183.81026602 Multipole moments (9.60524s) stopped
T12 >> 1462348183.81029797 Normalize (5.10077s) started
T12 << 1462348183.81644893 Normalize (5.10692s) stopped
T12 >> 1462348183.81650209 Mix (317.89316s) started
T12 << 1462348184.23155999 Mix (318.30821s) stopped
T12 << 1462348184.23162198 Density (12461.89463s) stopped
T12 >> 1462348184.23165011 Hamiltonian (37841.96895s) started
T12 >> 1462348184.23166490 vbar (20.13950s) started
T12 << 1462348184.25640011 vbar (20.16423s) stopped
T12 >> 1462348184.25650311 XC 3D grid (21329.13709s) started
T12 >> 1462348184.77117300 van der Waals (20599.36946s) started
T12 >> 1462348184.88080406 semilocal (4353.18660s) started
T12 << 1462348190.60816598 semilocal (4358.91396s) stopped
T12 >> 1462348190.68611097 redistribute (2213.26265s) started
T12 << 1462348191.73509598 redistribute (2214.31163s) stopped
T12 >> 1462348191.73513889 libvdwxc nonlocal (13889.26008s) started
T12 << 1462348210.32711792 libvdwxc nonlocal (13907.85206s) stopped
T12 >> 1462348210.32716799 redistribute (2214.31166s) started
T12 << 1462348212.01819801 redistribute (2216.00269s) stopped
T12 << 1462348212.01933599 van der Waals (20626.61762s) stopped
T12 << 1462348212.48014998 XC 3D grid (21357.36074s) stopped
T12 >> 1462348212.48019409 Poisson (4407.78378s) started
T12 << 1462348218.39043403 Poisson (4413.69402s) stopped
T12 >> 1462348218.39050508 Hartree integrate/restrict (281.18314s) started
T12 << 1462348218.44114399 Hartree integrate/restrict (281.23378s) stopped
T12 >> 1462348218.44118905 Hartree integrate/restrict (281.23380s) started
T12 << 1462348218.74892497 Hartree integrate/restrict (281.54154s) stopped
T12 >> 1462348218.74902797 Atomic (1803.67182s) started
T12 >> 1462348218.75081992 XC Correction (0.02489s) started
T12 << 1462348218.75083494 XC Correction (0.02490s) stopped
T12 << 1462348221.17361093 Atomic (1806.09640s) stopped
T12 >> 1462348221.17378211 Communicate (9999.76012s) started
T12 << 1462348237.90109897 Communicate (10016.48744s) stopped
T12 << 1462348237.90113592 Hamiltonian (37895.63843s) stopped
T12 >> 1462348237.90116191 LCAO eigensolver (53111.31654s) started
T12 >> 1462348237.90117502 Potential matrix (791.28081s) started
T12 << 1462348238.88994908 Potential matrix (792.26959s) stopped
T12 >> 1462348238.89003301 DistributedAtomicCorrection (337.29287s) started
T12 << 1462348239.34607196 DistributedAtomicCorrection (337.74891s) stopped
T12 >> 1462348239.34612989 Distribute overlap matrix (6203.83866s) started
T12 >> 1462348239.34615207 blocked summation (3463.48817s) started
T12 << 1462348244.02851605 blocked summation (3468.17053s) stopped
T12 >> 1462348244.03769398 Scalapack redistribute (2732.38928s) started
T12 << 1462348247.77148294 Scalapack redistribute (2736.12307s) stopped
T12 << 1462348247.77158189 Distribute overlap matrix (6212.26411s) stopped
T12 >> 1462348247.77687907 Blacs Orbital Layouts (44335.95461s) started
T12 >> 1462348247.78611302 General diagonalize (44161.16300s) started
T12 << 1462348301.96075106 General diagonalize (44215.33764s) stopped
T12 >> 1462348301.96079898 Redistribute coefs (6.76856s) started
T12 << 1462348301.96849799 Redistribute coefs (6.77626s) stopped
T12 >> 1462348301.96854496 Send coefs to domains (160.61065s) started
T12 << 1462348302.23407102 Send coefs to domains (160.87618s) stopped
T12 << 1462348302.23467398 Blacs Orbital Layouts (44390.41241s) stopped
T12 >> 1462348302.23470497 Calculate projections (1438.95689s) started
T12 << 1462348304.01359892 Calculate projections (1440.73579s) stopped
T12 << 1462348304.01378798 LCAO eigensolver (53177.42917s) stopped
T12 >> 1462348307.10559702 Density (12461.89464s) started
T12 >> 1462348307.10561395 Pseudo density (9600.40502s) started
T12 >> 1462348307.10725999 Calculate density matrix (9012.65545s) started
T12 << 1462348318.99476099 Calculate density matrix (9024.54295s) stopped
T12 >> 1462348318.99484301 Construct density (572.54388s) started
T12 << 1462348319.77789903 Construct density (573.32694s) stopped
T12 >> 1462348319.79195595 Symmetrize density (0.06452s) started
T12 << 1462348319.79201388 Symmetrize density (0.06458s) stopped
T12 << 1462348319.79409790 Pseudo density (9613.09350s) stopped
T12 >> 1462348319.79415607 Atomic density matrices (2528.40878s) started
T12 << 1462348323.32753706 Atomic density matrices (2531.94216s) stopped
T12 >> 1462348323.32757211 Multipole moments (9.60526s) started
T12 << 1462348323.34294391 Multipole moments (9.62063s) stopped
T12 >> 1462348323.34297800 Normalize (5.10696s) started
T12 << 1462348323.34935999 Normalize (5.11334s) stopped
T12 >> 1462348323.34946203 Mix (318.30827s) started
T12 << 1462348323.75994492 Mix (318.71876s) stopped
T12 << 1462348323.76002097 Density (12478.54906s) stopped
T12 >> 1462348323.76005697 Hamiltonian (37895.63845s) started
T12 >> 1462348323.76007390 vbar (20.16429s) started
T12 << 1462348323.78924394 vbar (20.19346s) stopped
T12 >> 1462348323.78933907 XC 3D grid (21357.36077s) started
T12 >> 1462348324.31126690 van der Waals (20626.61764s) started
T12 >> 1462348324.42041302 semilocal (4358.91404s) started
T12 << 1462348330.24155092 semilocal (4364.73518s) stopped
T12 >> 1462348330.31877899 redistribute (2216.00275s) started
T12 << 1462348331.27555799 redistribute (2216.95953s) stopped
T12 >> 1462348331.27560091 libvdwxc nonlocal (13907.85210s) started
T12 << 1462348350.34402490 libvdwxc nonlocal (13926.92052s) stopped
T12 >> 1462348350.34408903 redistribute (2216.95956s) started
T12 << 1462348352.03725696 redistribute (2218.65273s) stopped
T12 << 1462348352.03833294 van der Waals (20654.34471s) stopped
T12 << 1462348352.51137495 XC 3D grid (21386.08281s) stopped
T12 >> 1462348352.51144409 Poisson (4413.69407s) started
T12 << 1462348356.92245197 Poisson (4418.10508s) stopped
T12 >> 1462348356.92252588 Hartree integrate/restrict (281.54159s) started
T12 << 1462348356.97691488 Hartree integrate/restrict (281.59598s) stopped
T12 >> 1462348356.97700000 Hartree integrate/restrict (281.59604s) started
T12 << 1462348357.34278607 Hartree integrate/restrict (281.96183s) stopped
T12 >> 1462348357.34289289 Atomic (1806.09642s) started
T12 >> 1462348357.34473801 XC Correction (0.02492s) started
T12 << 1462348357.34475589 XC Correction (0.02493s) stopped
T12 << 1462348359.76596403 Atomic (1808.51950s) stopped
T12 >> 1462348359.76613092 Communicate (10016.48746s) started
T12 << 1462348376.49068403 Communicate (10033.21201s) stopped
T12 << 1462348376.49072194 Hamiltonian (37948.36911s) stopped
T12 >> 1462348376.49074793 LCAO eigensolver (53177.42919s) started
T12 >> 1462348376.49076104 Potential matrix (792.26964s) started
T12 << 1462348377.47354507 Potential matrix (793.25242s) stopped
T12 >> 1462348377.47361398 DistributedAtomicCorrection (337.74894s) started
T12 << 1462348377.93486309 DistributedAtomicCorrection (338.21019s) stopped
T12 >> 1462348377.93492198 Distribute overlap matrix (6212.26412s) started
T12 >> 1462348377.93494391 blocked summation (3468.17056s) started
T12 << 1462348382.66372991 blocked summation (3472.89935s) stopped
T12 >> 1462348382.67286301 Scalapack redistribute (2736.12313s) started
T12 << 1462348386.42222595 Scalapack redistribute (2739.87249s) stopped
T12 << 1462348386.42231393 Distribute overlap matrix (6220.75151s) stopped
T12 >> 1462348386.42819500 Blacs Orbital Layouts (44390.41242s) started
T12 >> 1462348386.43714190 General diagonalize (44215.33768s) started
T12 << 1462348440.49033689 General diagonalize (44269.39087s) stopped
T12 >> 1462348440.49038911 Redistribute coefs (6.77630s) started
T12 << 1462348440.49940991 Redistribute coefs (6.78532s) stopped
T12 >> 1462348440.49945807 Send coefs to domains (160.87621s) started
T12 << 1462348440.60063910 Send coefs to domains (160.97739s) stopped
T12 << 1462348440.60129690 Blacs Orbital Layouts (44444.58553s) stopped
T12 >> 1462348440.60133100 Calculate projections (1440.73584s) started
T12 << 1462348442.38147497 Calculate projections (1442.51598s) stopped
T12 << 1462348442.38171697 LCAO eigensolver (53243.32016s) stopped
T12 >> 1462348447.52540112 Density (12478.54908s) started
T12 >> 1462348447.52541804 Pseudo density (9613.09355s) started
T12 >> 1462348447.53056407 Calculate density matrix (9024.54301s) started
T12 << 1462348457.36859989 Calculate density matrix (9034.38105s) stopped
T12 >> 1462348457.36865711 Construct density (573.32699s) started
T12 << 1462348458.15374494 Construct density (574.11208s) stopped
T12 >> 1462348458.17021894 Symmetrize density (0.06459s) started
T12 << 1462348458.17028308 Symmetrize density (0.06466s) stopped
T12 << 1462348458.17275691 Pseudo density (9623.74089s) stopped
T12 >> 1462348458.17282891 Atomic density matrices (2531.94219s) started
T12 << 1462348461.68917394 Atomic density matrices (2535.45853s) stopped
T12 >> 1462348461.68921208 Multipole moments (9.62065s) started
T12 << 1462348461.70463395 Multipole moments (9.63607s) stopped
T12 >> 1462348461.70466805 Normalize (5.11342s) started
T12 << 1462348461.71227789 Normalize (5.12103s) stopped
T12 >> 1462348461.71232605 Mix (318.71883s) started
T12 << 1462348462.14529395 Mix (319.15180s) stopped
T12 << 1462348462.14537001 Density (12493.16905s) stopped
T12 >> 1462348462.14540291 Hamiltonian (37948.36912s) started
T12 >> 1462348462.14542007 vbar (20.19352s) started
T12 << 1462348462.17120194 vbar (20.21930s) stopped
T12 >> 1462348462.17131710 XC 3D grid (21386.08286s) started
T12 >> 1462348462.69535995 van der Waals (20654.34474s) started
T12 >> 1462348462.80719304 semilocal (4364.73530s) started
T12 << 1462348468.60726500 semilocal (4370.53537s) stopped
T12 >> 1462348468.68021488 redistribute (2218.65278s) started
T12 << 1462348469.63206506 redistribute (2219.60463s) stopped
T12 >> 1462348469.63211489 libvdwxc nonlocal (13926.92057s) started
T12 << 1462348487.60440397 libvdwxc nonlocal (13944.89286s) stopped
T12 >> 1462348487.60448909 redistribute (2219.60467s) started
T12 << 1462348489.67470694 redistribute (2221.67489s) stopped
T12 << 1462348489.67586398 van der Waals (20681.32524s) stopped
T12 << 1462348490.13989401 XC 3D grid (21414.05144s) stopped
T12 >> 1462348490.13994408 Poisson (4418.10513s) started
T12 << 1462348494.44449806 Poisson (4422.40969s) stopped
T12 >> 1462348494.44458699 Hartree integrate/restrict (281.96189s) started
T12 << 1462348494.48265910 Hartree integrate/restrict (281.99996s) stopped
T12 >> 1462348494.48274112 Hartree integrate/restrict (282.00001s) started
T12 << 1462348494.81201410 Hartree integrate/restrict (282.32928s) stopped
T12 >> 1462348494.81209302 Atomic (1808.51952s) started
T12 >> 1462348494.81392908 XC Correction (0.02494s) started
T12 << 1462348494.81394410 XC Correction (0.02496s) stopped
T12 << 1462348497.22604609 Atomic (1810.93347s) stopped
T12 >> 1462348497.22623491 Communicate (10033.21204s) started
T12 << 1462348513.95898700 Communicate (10049.94479s) stopped
T12 << 1462348513.95902896 Hamiltonian (38000.18275s) stopped
T12 >> 1462348513.95905709 LCAO eigensolver (53243.32018s) started
T12 >> 1462348513.95906997 Potential matrix (793.25246s) started
T12 << 1462348514.93185091 Potential matrix (794.22524s) stopped
T12 >> 1462348514.93193197 DistributedAtomicCorrection (338.21023s) started
T12 << 1462348515.41406107 DistributedAtomicCorrection (338.69236s) stopped
T12 >> 1462348515.41411901 Distribute overlap matrix (6220.75153s) started
T12 >> 1462348515.41414404 blocked summation (3472.89938s) started
T12 << 1462348520.10787702 blocked summation (3477.59312s) stopped
T12 >> 1462348520.11691809 Scalapack redistribute (2739.87254s) started
T12 << 1462348523.86833405 Scalapack redistribute (2743.62395s) stopped
T12 << 1462348523.86844110 Distribute overlap matrix (6229.20585s) stopped
T12 >> 1462348523.87317896 Blacs Orbital Layouts (44444.58555s) started
T12 >> 1462348523.88179994 General diagonalize (44269.39092s) started
T12 << 1462348580.00957704 General diagonalize (44325.51869s) stopped
T12 >> 1462348580.00962901 Redistribute coefs (6.78535s) started
T12 << 1462348580.01843905 Redistribute coefs (6.79416s) stopped
T12 >> 1462348580.01848698 Send coefs to domains (160.97743s) started
T12 << 1462348580.18085790 Send coefs to domains (161.13980s) stopped
T12 << 1462348580.18136692 Blacs Orbital Layouts (44500.89373s) stopped
T12 >> 1462348580.18140197 Calculate projections (1442.51604s) started
T12 << 1462348581.96128392 Calculate projections (1444.29592s) stopped
T12 << 1462348581.96149611 LCAO eigensolver (53311.32261s) stopped
T12 >> 1462348585.06194806 Density (12493.16906s) started
T12 >> 1462348585.06196404 Pseudo density (9623.74094s) started
T12 >> 1462348585.06447911 Calculate density matrix (9034.38109s) started
T12 << 1462348597.03029108 Calculate density matrix (9046.34690s) stopped
T12 >> 1462348597.03034806 Construct density (574.11214s) started
T12 << 1462348597.81602597 Construct density (574.89781s) stopped
T12 >> 1462348597.83256507 Symmetrize density (0.06468s) started
T12 << 1462348597.83263898 Symmetrize density (0.06475s) stopped
T12 << 1462348597.83511901 Pseudo density (9636.51410s) stopped
T12 >> 1462348597.83518696 Atomic density matrices (2535.45856s) started
T12 << 1462348601.37405992 Atomic density matrices (2538.99743s) stopped
T12 >> 1462348601.37409997 Multipole moments (9.63608s) started
T12 << 1462348601.38954091 Multipole moments (9.65153s) stopped
T12 >> 1462348601.38957500 Normalize (5.12107s) started
T12 << 1462348601.39609694 Normalize (5.12759s) stopped
T12 >> 1462348601.39614511 Mix (319.15187s) started
T12 << 1462348601.82857609 Mix (319.58430s) stopped
T12 << 1462348601.82863593 Density (12509.93575s) stopped
T12 >> 1462348601.82866406 Hamiltonian (38000.18276s) started
T12 >> 1462348601.82867789 vbar (20.21936s) started
T12 << 1462348601.85424304 vbar (20.24493s) stopped
T12 >> 1462348601.85436511 XC 3D grid (21414.05148s) started
T12 >> 1462348602.34656096 van der Waals (20681.32527s) started
T12 >> 1462348602.45943189 semilocal (4370.53542s) started
T12 << 1462348608.23426199 semilocal (4376.31025s) stopped
T12 >> 1462348608.30782104 redistribute (2221.67495s) started
T12 << 1462348609.32476592 redistribute (2222.69190s) stopped
T12 >> 1462348609.32483196 libvdwxc nonlocal (13944.89292s) started
T12 << 1462348627.19148111 libvdwxc nonlocal (13962.75957s) stopped
T12 >> 1462348627.19155693 redistribute (2222.69193s) started
T12 << 1462348629.07950401 redistribute (2224.57988s) stopped
T12 << 1462348629.08052897 van der Waals (20708.05924s) stopped
T12 << 1462348629.54071403 XC 3D grid (21441.73783s) stopped
T12 >> 1462348629.54077506 Poisson (4422.40975s) started
T12 << 1462348632.47470307 Poisson (4425.34367s) stopped
T12 >> 1462348632.47480392 Hartree integrate/restrict (282.32932s) started
T12 << 1462348632.51864696 Hartree integrate/restrict (282.37316s) stopped
T12 >> 1462348632.51869011 Hartree integrate/restrict (282.37319s) started
T12 << 1462348632.83727908 Hartree integrate/restrict (282.69178s) stopped
T12 >> 1462348632.83736897 Atomic (1810.93349s) started
T12 >> 1462348632.83921504 XC Correction (0.02497s) started
T12 << 1462348632.83922911 XC Correction (0.02498s) stopped
T12 << 1462348635.25632596 Atomic (1813.35245s) stopped
T12 >> 1462348635.25648594 Communicate (10049.94482s) started
T12 << 1462348652.04484200 Communicate (10066.73318s) stopped
T12 << 1462348652.04487896 Hamiltonian (38050.39898s) stopped
T12 >> 1462348652.04490304 LCAO eigensolver (53311.32263s) started
T12 >> 1462348652.04491711 Potential matrix (794.22529s) started
T12 << 1462348653.02768397 Potential matrix (795.20805s) stopped
T12 >> 1462348653.02775502 DistributedAtomicCorrection (338.69240s) started
T12 << 1462348653.49388909 DistributedAtomicCorrection (339.15853s) stopped
T12 >> 1462348653.49394798 Distribute overlap matrix (6229.20586s) started
T12 >> 1462348653.49396992 blocked summation (3477.59315s) started
T12 << 1462348658.17424011 blocked summation (3482.27342s) stopped
T12 >> 1462348658.18349504 Scalapack redistribute (2743.62401s) started
T12 << 1462348661.93979907 Scalapack redistribute (2747.38032s) stopped
T12 << 1462348661.93990493 Distribute overlap matrix (6237.65182s) stopped
T12 >> 1462348661.94546890 Blacs Orbital Layouts (44500.89375s) started
T12 >> 1462348661.95412493 General diagonalize (44325.51873s) started
T12 << 1462348717.04788399 General diagonalize (44380.61249s) stopped
T12 >> 1462348717.04795599 Redistribute coefs (6.79420s) started
T12 << 1462348717.05652308 Redistribute coefs (6.80276s) stopped
T12 >> 1462348717.05659199 Send coefs to domains (161.13984s) started
T12 << 1462348717.42920303 Send coefs to domains (161.51245s) stopped
T12 << 1462348717.42952991 Blacs Orbital Layouts (44556.37781s) stopped
T12 >> 1462348717.42956209 Calculate projections (1444.29598s) started
T12 << 1462348719.20244789 Calculate projections (1446.06887s) stopped
T12 << 1462348719.20279193 LCAO eigensolver (53378.48052s) stopped
T12 >> 1462348722.33802509 Density (12509.93577s) started
T12 >> 1462348722.33804011 Pseudo density (9636.51415s) started
T12 >> 1462348722.34075189 Calculate density matrix (9046.34694s) started
T12 << 1462348734.25986409 Calculate density matrix (9058.26605s) stopped
T12 >> 1462348734.25991201 Construct density (574.89787s) started
T12 << 1462348735.04345703 Construct density (575.68142s) stopped
T12 >> 1462348735.05764008 Symmetrize density (0.06477s) started
T12 << 1462348735.05770397 Symmetrize density (0.06483s) stopped
T12 << 1462348735.05978489 Pseudo density (9649.23590s) stopped
T12 >> 1462348735.05984402 Atomic density matrices (2538.99746s) started
T12 << 1462348738.51821709 Atomic density matrices (2542.45584s) stopped
T12 >> 1462348738.51825094 Multipole moments (9.65154s) started
T12 << 1462348738.53399897 Multipole moments (9.66729s) stopped
T12 >> 1462348738.53403211 Normalize (5.12762s) started
T12 << 1462348738.54026198 Normalize (5.13385s) stopped
T12 >> 1462348738.54030704 Mix (319.58436s) started
T12 << 1462348738.94194889 Mix (319.98601s) stopped
T12 << 1462348738.94204712 Density (12526.53979s) stopped
T12 >> 1462348738.94208598 Hamiltonian (38050.39899s) started
T12 >> 1462348738.94210410 vbar (20.24500s) started
T12 << 1462348738.97494292 vbar (20.27784s) stopped
T12 >> 1462348738.97504807 XC 3D grid (21441.73788s) started
T12 >> 1462348739.51438689 van der Waals (20708.05926s) started
T12 >> 1462348739.62446594 semilocal (4376.31032s) started
T12 << 1462348745.40517592 semilocal (4382.09103s) stopped
T12 >> 1462348745.47611594 redistribute (2224.57994s) started
T12 << 1462348746.49614596 redistribute (2225.59997s) stopped
T12 >> 1462348746.49619889 libvdwxc nonlocal (13962.75963s) started
T12 << 1462348764.92040896 libvdwxc nonlocal (13981.18384s) stopped
T12 >> 1462348764.92047310 redistribute (2225.60001s) started
T12 << 1462348766.59144592 redistribute (2227.27098s) stopped
T12 << 1462348766.59227800 van der Waals (20735.13715s) stopped
T12 << 1462348767.05375195 XC 3D grid (21469.81658s) stopped
T12 >> 1462348767.05380607 Poisson (4425.34373s) started
T12 << 1462348769.98207092 Poisson (4428.27200s) stopped
T12 >> 1462348769.98214698 Hartree integrate/restrict (282.69183s) started
T12 << 1462348770.02727795 Hartree integrate/restrict (282.73696s) stopped
T12 >> 1462348770.02732396 Hartree integrate/restrict (282.73699s) started
T12 << 1462348770.34009409 Hartree integrate/restrict (283.04976s) stopped
T12 >> 1462348770.34018993 Atomic (1813.35247s) started
T12 >> 1462348770.34196806 XC Correction (0.02499s) started
T12 << 1462348770.34198403 XC Correction (0.02501s) stopped
T12 << 1462348772.75897288 Atomic (1815.77126s) stopped
T12 >> 1462348772.75913310 Communicate (10066.73320s) started
T12 << 1462348789.60321498 Communicate (10083.57728s) stopped
T12 << 1462348789.60325289 Hamiltonian (38101.06016s) stopped
T12 >> 1462348789.60327792 LCAO eigensolver (53378.48054s) started
T12 >> 1462348789.60329103 Potential matrix (795.20809s) started
T12 << 1462348790.58569694 Potential matrix (796.19050s) stopped
T12 >> 1462348790.58578801 DistributedAtomicCorrection (339.15857s) started
T12 << 1462348791.05360889 DistributedAtomicCorrection (339.62639s) stopped
T12 >> 1462348791.05366898 Distribute overlap matrix (6237.65183s) started
T12 >> 1462348791.05369091 blocked summation (3482.27347s) started
T12 << 1462348795.80116701 blocked summation (3487.02095s) stopped
T12 >> 1462348795.81128407 Scalapack redistribute (2747.38038s) started
T12 << 1462348799.49578190 Scalapack redistribute (2751.06488s) stopped
T12 << 1462348799.49588299 Distribute overlap matrix (6246.09404s) stopped
T12 >> 1462348799.50034308 Blacs Orbital Layouts (44556.37783s) started
T12 >> 1462348799.50924802 General diagonalize (44380.61255s) started
T12 << 1462348853.40758109 General diagonalize (44434.51088s) stopped
T12 >> 1462348853.40763211 Redistribute coefs (6.80282s) started
T12 << 1462348853.41706610 Redistribute coefs (6.81225s) stopped
T12 >> 1462348853.41711307 Send coefs to domains (161.51248s) started
T12 << 1462348853.56363297 Send coefs to domains (161.65900s) stopped
T12 << 1462348853.56412697 Blacs Orbital Layouts (44610.44162s) stopped
T12 >> 1462348853.56416297 Calculate projections (1446.06891s) started
T12 << 1462348855.34481311 Calculate projections (1447.84957s) stopped
T12 << 1462348855.34527802 LCAO eigensolver (53444.22254s) stopped
T12 << 1462348858.46738696 SCF-cycle (106668.35950s) stopped
T12 >> 1462348860.61444712 Force calculation (5064.70151s) started
T12 >> 1462348860.61454892 LCAO forces (5010.04605s) started
T12 >> 1462348860.61494303 Initial (0.00145s) started
T12 << 1462348860.61495495 Initial (0.00146s) stopped
T12 >> 1462348860.62166691 Get density matrix (2603.15005s) started
T12 << 1462348869.80588293 Get density matrix (2612.33427s) stopped
T12 >> 1462348869.80596709 Potential (394.27381s) started
T12 << 1462348876.08995008 Potential (400.55780s) stopped
T12 >> 1462348876.09001088 Get density matrix (2612.33433s) started
T12 << 1462348907.77664208 Get density matrix (2644.02097s) stopped
T12 >> 1462348907.77675390 Prepare TCI loop (140.33144s) started
T12 >> 1462348907.77729607 Get neighbors (124.76933s) started
T12 << 1462348909.81086802 Get neighbors (126.80291s) stopped
T12 >> 1462348909.81190300 broadcast dH (15.48644s) started
T12 << 1462348910.07470202 broadcast dH (15.74923s) stopped
T12 << 1462348910.07475090 Prepare TCI loop (142.62943s) stopped
T12 >> 1462348910.07477188 Not so complicated loop (7.63469s) started
T12 << 1462348910.20023894 Not so complicated loop (7.76016s) stopped
T12 >> 1462348910.32868099 Complicated loop (1212.86491s) started
T12 << 1462348930.26596808 Complicated loop (1232.80219s) stopped
T12 >> 1462348930.26852012 Wait for sum (643.49427s) started
T12 << 1462348941.21070004 Wait for sum (654.43645s) stopped
T12 << 1462348941.21074104 LCAO forces (5090.64225s) stopped
T12 << 1462348942.11044407 Force calculation (5146.19751s) stopped
T12 >> 1462348942.12858105 Initialization (8485.67310s) started
T12 << 1462348942.12875795 Initialization (8485.67328s) stopped
T12 >> 1462348942.12899208 Initialization (8485.67329s) started
T12 << 1462348942.12913203 Initialization (8485.67343s) stopped
T12 >> 1462348942.12927294 Initialization (8485.67345s) started
T12 << 1462348942.12940788 Initialization (8485.67358s) stopped
T12 >> 1462348962.49009395 Initialization (8485.67360s) started
T12 >> 1462348962.54031491 Basic WFS set positions (5.76366s) started
T12 >> 1462348962.54033995 Redistribute (0.01632s) started
T12 << 1462348962.54047108 Redistribute (0.01645s) stopped
T12 << 1462348962.63118911 Basic WFS set positions (5.85453s) stopped
T12 >> 1462348962.63121700 Basis functions set positions (121.61846s) started
T12 << 1462348964.60550189 Basis functions set positions (123.59275s) stopped
T12 >> 1462348964.60600901 TCI: Calculate S, T, P (1004.00773s) started
T12 << 1462348980.68898296 TCI: Calculate S, T, P (1020.09071s) stopped
T12 >> 1462348980.68904400 blocked summation (1677.55152s) started
T12 << 1462349010.87956190 blocked summation (1707.74204s) stopped
T12 >> 1462349010.88965297 Scalapack redistribute (602.07811s) started
T12 << 1462349022.96341896 Scalapack redistribute (614.15187s) stopped
T12 >> 1462349022.96447301 blocked summation (1707.74208s) started
T12 << 1462349023.99759197 blocked summation (1708.77520s) stopped
T12 >> 1462349024.00733900 Scalapack redistribute (614.15194s) started
T12 << 1462349024.25082898 Scalapack redistribute (614.39543s) stopped
T12 >> 1462349024.25281692 Redistribute (0.12396s) started
T12 << 1462349024.25335193 Redistribute (0.12449s) stopped
T12 >> 1462349026.02279592 Redistribute (0.12451s) started
T12 << 1462349026.02329111 Redistribute (0.12500s) stopped
T12 >> 1462349026.04142404 LCAO WFS Initialize (4947.03362s) started
T12 >> 1462349026.04146504 Density initialize from wavefunctions (933.74123s) started
T12 >> 1462349026.04601908 Calculate density matrix (643.76735s) started
T12 << 1462349035.88203812 Calculate density matrix (653.60337s) stopped
T12 >> 1462349035.88209605 Construct density (49.38052s) started
T12 << 1462349036.66725111 Construct density (50.16567s) stopped
T12 >> 1462349036.68123698 Symmetrize density (0.00536s) started
T12 << 1462349036.68131208 Symmetrize density (0.00543s) stopped
T12 << 1462349040.50556111 Density initialize from wavefunctions (948.20532s) stopped
T12 >> 1462349040.50585389 Hamiltonian (4012.35796s) started
T12 >> 1462349040.50587296 vbar (1.83299s) started
T12 << 1462349040.53637409 vbar (1.86350s) stopped
T12 >> 1462349040.53650999 XC 3D grid (1877.71555s) started
T12 >> 1462349041.00309706 van der Waals (1813.82175s) started
T12 >> 1462349041.11433291 semilocal (382.20789s) started
T12 << 1462349046.87379193 semilocal (387.96734s) stopped
T12 >> 1462349046.95861006 redistribute (203.93515s) started
T12 << 1462349048.00635409 redistribute (204.98289s) stopped
T12 >> 1462349048.00640297 libvdwxc nonlocal (1215.04324s) started
T12 << 1462349065.86178493 libvdwxc nonlocal (1232.89862s) stopped
T12 >> 1462349065.86188889 redistribute (204.98293s) started
T12 << 1462349067.82089210 redistribute (206.94194s) stopped
T12 << 1462349067.82198811 van der Waals (1840.64065s) stopped
T12 << 1462349068.28305197 XC 3D grid (1905.46209s) stopped
T12 >> 1462349068.28310204 Poisson (934.37433s) started
T12 << 1462349082.63517308 Poisson (948.72640s) stopped
T12 >> 1462349082.63525295 Hartree integrate/restrict (24.66789s) started
T12 << 1462349082.67744088 Hartree integrate/restrict (24.71008s) stopped
T12 >> 1462349082.67753410 Hartree integrate/restrict (24.71014s) started
T12 << 1462349083.00073290 Hartree integrate/restrict (25.03334s) stopped
T12 >> 1462349083.00081897 Atomic (156.65129s) started
T12 >> 1462349083.00348592 XC Correction (0.00237s) started
T12 << 1462349083.00350809 XC Correction (0.00239s) stopped
T12 << 1462349085.39776707 Atomic (159.04824s) stopped
T12 >> 1462349085.39796209 Communicate (1017.06412s) started
T12 << 1462349104.17290497 Communicate (1035.83906s) stopped
T12 << 1462349104.17294598 Hamiltonian (4076.02505s) stopped
T12 << 1462349104.17296100 LCAO WFS Initialize (5025.16516s) stopped
T12 << 1462349104.18532610 Initialization (8627.36883s) stopped
T12 >> 1462349104.21214008 SCF-cycle (106668.35953s) started
T12 >> 1462349104.21217990 LCAO eigensolver (53444.22256s) started
T12 >> 1462349104.21219301 Potential matrix (796.19055s) started
T12 << 1462349105.19828296 Potential matrix (797.17664s) stopped
T12 >> 1462349105.19836712 DistributedAtomicCorrection (339.62643s) started
T12 << 1462349105.66293311 DistributedAtomicCorrection (340.09100s) stopped
T12 >> 1462349105.66298199 Distribute overlap matrix (6246.09406s) started
T12 >> 1462349105.66301203 blocked summation (3487.02098s) started
T12 << 1462349110.43111300 blocked summation (3491.78908s) stopped
T12 >> 1462349110.44082093 Scalapack redistribute (2751.06494s) started
T12 << 1462349114.06068611 Scalapack redistribute (2754.68481s) stopped
T12 << 1462349114.06081009 Distribute overlap matrix (6254.49188s) stopped
T12 >> 1462349114.06524491 Blacs Orbital Layouts (44610.44164s) started
T12 >> 1462349114.07424402 General diagonalize (44434.51093s) started
T12 << 1462349168.72268891 General diagonalize (44489.15937s) stopped
T12 >> 1462349168.72274303 Redistribute coefs (6.81229s) started
T12 << 1462349168.73180604 Redistribute coefs (6.82135s) stopped
T12 >> 1462349168.73185802 Send coefs to domains (161.65904s) started
T12 << 1462349168.85341406 Send coefs to domains (161.78060s) stopped
T12 << 1462349168.85390711 Blacs Orbital Layouts (44665.23030s) stopped
T12 >> 1462349168.85393691 Calculate projections (1447.84962s) started
T12 << 1462349170.63294697 Calculate projections (1449.62863s) stopped
T12 << 1462349170.63337898 LCAO eigensolver (53510.64376s) stopped
T12 >> 1462349173.74425101 Density (12526.53981s) started
T12 >> 1462349173.74426794 Pseudo density (9649.23594s) started
T12 >> 1462349173.74616098 Calculate density matrix (9058.26609s) started
T12 << 1462349185.79505992 Calculate density matrix (9070.31499s) stopped
T12 >> 1462349185.79511404 Construct density (575.68147s) started
T12 << 1462349186.58289695 Construct density (576.46925s) stopped
T12 >> 1462349186.59666395 Symmetrize density (0.06485s) started
T12 << 1462349186.59674001 Symmetrize density (0.06493s) stopped
T12 << 1462349186.59872389 Pseudo density (9662.09040s) stopped
T12 >> 1462349186.59879494 Atomic density matrices (2542.45586s) started
T12 << 1462349190.10011601 Atomic density matrices (2545.95718s) stopped
T12 >> 1462349190.10015297 Multipole moments (9.66731s) started
T12 << 1462349190.11569405 Multipole moments (9.68285s) stopped
T12 >> 1462349190.11571789 Normalize (5.13389s) started
T12 << 1462349190.12193799 Normalize (5.14011s) stopped
T12 >> 1462349190.12200403 Mix (319.98610s) started
T12 << 1462349190.46426702 Mix (320.32837s) stopped
T12 << 1462349190.46433496 Density (12543.25989s) stopped
T12 >> 1462349190.46436405 Hamiltonian (38101.06017s) started
T12 >> 1462349190.46437907 vbar (20.27789s) started
T12 << 1462349190.48804998 vbar (20.30157s) stopped
T12 >> 1462349190.48818302 XC 3D grid (21469.81662s) started
T12 >> 1462349191.00314903 van der Waals (20735.13718s) started
T12 >> 1462349191.11233902 semilocal (4382.09107s) started
T12 << 1462349196.89820504 semilocal (4387.87694s) stopped
T12 >> 1462349196.97454000 redistribute (2227.27104s) started
T12 << 1462349197.95719099 redistribute (2228.25369s) stopped
T12 >> 1462349197.95724010 libvdwxc nonlocal (13981.18388s) started
T12 << 1462349216.53623295 libvdwxc nonlocal (13999.76288s) stopped
T12 >> 1462349216.53629398 redistribute (2228.25372s) started
T12 << 1462349218.63548112 redistribute (2230.35291s) stopped
T12 << 1462349218.63672304 van der Waals (20762.77075s) stopped
T12 << 1462349219.10910106 XC 3D grid (21498.43754s) stopped
T12 >> 1462349219.10915089 Poisson (4428.27206s) started
T12 << 1462349223.50903296 Poisson (4432.67194s) stopped
T12 >> 1462349223.50911689 Hartree integrate/restrict (283.04981s) started
T12 << 1462349223.54770303 Hartree integrate/restrict (283.08839s) stopped
T12 >> 1462349223.54778004 Hartree integrate/restrict (283.08844s) started
T12 << 1462349223.94664693 Hartree integrate/restrict (283.48731s) stopped
T12 >> 1462349223.94675803 Atomic (1815.77128s) started
T12 >> 1462349223.94881797 XC Correction (0.02503s) started
T12 << 1462349223.94884396 XC Correction (0.02505s) stopped
T12 << 1462349226.36137509 Atomic (1818.18590s) stopped
T12 >> 1462349226.36157608 Communicate (10083.57731s) started
T12 << 1462349245.11291695 Communicate (10102.32865s) stopped
T12 << 1462349245.11296105 Hamiltonian (38155.70877s) stopped
T12 >> 1462349245.11298704 LCAO eigensolver (53510.64378s) started
T12 >> 1462349245.11299992 Potential matrix (797.17669s) started
T12 << 1462349246.10121489 Potential matrix (798.16490s) stopped
T12 >> 1462349246.10129499 DistributedAtomicCorrection (340.09104s) started
T12 << 1462349246.56223798 DistributedAtomicCorrection (340.55198s) stopped
T12 >> 1462349246.56228590 Distribute overlap matrix (6254.49190s) started
T12 >> 1462349246.56231689 blocked summation (3491.78912s) started
T12 << 1462349251.25943303 blocked summation (3496.48623s) stopped
T12 >> 1462349251.26901603 Scalapack redistribute (2754.68487s) started
T12 << 1462349254.97719693 Scalapack redistribute (2758.39306s) stopped
T12 << 1462349254.97725606 Distribute overlap matrix (6262.90687s) stopped
T12 >> 1462349254.98271704 Blacs Orbital Layouts (44665.23032s) started
T12 >> 1462349254.99145293 General diagonalize (44489.15942s) started
T12 << 1462349310.71118999 General diagonalize (44544.87915s) stopped
T12 >> 1462349310.71124411 Redistribute coefs (6.82139s) started
T12 << 1462349310.72029305 Redistribute coefs (6.83044s) stopped
T12 >> 1462349310.72034001 Send coefs to domains (161.78064s) started
T12 << 1462349310.90437794 Send coefs to domains (161.96467s) stopped
T12 << 1462349310.90488100 Blacs Orbital Layouts (44721.15248s) stopped
T12 >> 1462349310.90491295 Calculate projections (1449.62869s) started
T12 << 1462349312.68572497 Calculate projections (1451.40950s) stopped
T12 << 1462349312.68612099 LCAO eigensolver (53578.21691s) stopped
T12 >> 1462349315.80259395 Density (12543.25990s) started
T12 >> 1462349315.80261111 Pseudo density (9662.09046s) started
T12 >> 1462349315.80456901 Calculate density matrix (9070.31504s) started
T12 << 1462349327.88904095 Calculate density matrix (9082.39951s) stopped
T12 >> 1462349327.88909888 Construct density (576.46931s) started
T12 << 1462349328.67500496 Construct density (577.25521s) stopped
T12 >> 1462349328.68956208 Symmetrize density (0.06495s) started
T12 << 1462349328.68963695 Symmetrize density (0.06502s) stopped
T12 << 1462349328.69161391 Pseudo density (9674.97946s) stopped
T12 >> 1462349328.69168210 Atomic density matrices (2545.95721s) started
T12 << 1462349332.15749407 Atomic density matrices (2549.42302s) stopped
T12 >> 1462349332.15753007 Multipole moments (9.68287s) started
T12 << 1462349332.17294312 Multipole moments (9.69828s) stopped
T12 >> 1462349332.17297792 Normalize (5.14015s) started
T12 << 1462349332.17924809 Normalize (5.14642s) stopped
T12 >> 1462349332.17930198 Mix (320.32843s) started
T12 << 1462349332.56359410 Mix (320.71272s) stopped
T12 << 1462349332.56365800 Density (12560.02097s) stopped
T12 >> 1462349332.56368709 Hamiltonian (38155.70878s) started
T12 >> 1462349332.56370306 vbar (20.30164s) started
T12 << 1462349332.58565688 vbar (20.32359s) stopped
T12 >> 1462349332.58576298 XC 3D grid (21498.43758s) started
T12 >> 1462349333.09535694 van der Waals (20762.77078s) started
T12 >> 1462349333.20450807 semilocal (4387.87702s) started
T12 << 1462349338.98113704 semilocal (4393.65365s) stopped
T12 >> 1462349339.05879688 redistribute (2230.35297s) started
T12 << 1462349340.06058598 redistribute (2231.35476s) stopped
T12 >> 1462349340.06063890 libvdwxc nonlocal (13999.76292s) started
T12 << 1462349358.18249202 libvdwxc nonlocal (14017.88478s) stopped
T12 >> 1462349358.18257499 redistribute (2231.35480s) started
T12 << 1462349360.37374496 redistribute (2233.54597s) stopped
T12 << 1462349360.37497401 van der Waals (20790.05039s) stopped
T12 << 1462349360.83937907 XC 3D grid (21526.69120s) stopped
T12 >> 1462349360.83942795 Poisson (4432.67200s) started
T12 << 1462349372.35520697 Poisson (4444.18778s) stopped
T12 >> 1462349372.35530210 Hartree integrate/restrict (283.48736s) started
T12 << 1462349372.39852309 Hartree integrate/restrict (283.53058s) stopped
T12 >> 1462349372.39860392 Hartree integrate/restrict (283.53064s) started
T12 << 1462349372.73258996 Hartree integrate/restrict (283.86462s) stopped
T12 >> 1462349372.73267603 Atomic (1818.18592s) started
T12 >> 1462349372.73535991 XC Correction (0.02507s) started
T12 << 1462349372.73541188 XC Correction (0.02512s) stopped
T12 << 1462349375.12814593 Atomic (1820.58139s) stopped
T12 >> 1462349375.12834191 Communicate (10102.32868s) started
T12 << 1462349393.96540499 Communicate (10121.16574s) stopped
T12 << 1462349393.96544790 Hamiltonian (38217.11054s) stopped
T12 >> 1462349393.96547508 LCAO eigensolver (53578.21693s) started
T12 >> 1462349393.96548891 Potential matrix (798.16495s) started
T12 << 1462349394.94580603 Potential matrix (799.14527s) stopped
T12 >> 1462349394.94590497 DistributedAtomicCorrection (340.55202s) started
T12 << 1462349395.40220499 DistributedAtomicCorrection (341.00832s) stopped
T12 >> 1462349395.40225291 Distribute overlap matrix (6262.90688s) started
T12 >> 1462349395.40228391 blocked summation (3496.48627s) started
T12 << 1462349400.24420691 blocked summation (3501.32819s) stopped
T12 >> 1462349400.25313210 Scalapack redistribute (2758.39310s) started
T12 << 1462349403.72382903 Scalapack redistribute (2761.86379s) stopped
T12 << 1462349403.72393298 Distribute overlap matrix (6271.22856s) stopped
T12 >> 1462349403.72817802 Blacs Orbital Layouts (44721.15251s) started
T12 >> 1462349403.73770595 General diagonalize (44544.87920s) started
T12 << 1462349459.87841296 General diagonalize (44601.01990s) stopped
T12 >> 1462349459.87846088 Redistribute coefs (6.83048s) started
T12 << 1462349459.88678408 Redistribute coefs (6.83880s) stopped
T12 >> 1462349459.88685703 Send coefs to domains (161.96471s) started
T12 << 1462349459.99783111 Send coefs to domains (162.07569s) stopped
T12 << 1462349459.99858904 Blacs Orbital Layouts (44777.42292s) stopped
T12 >> 1462349459.99861693 Calculate projections (1451.40956s) started
T12 << 1462349461.76763511 Calculate projections (1453.17857s) stopped
T12 << 1462349461.76787090 LCAO eigensolver (53646.01933s) stopped
T12 >> 1462349464.87641501 Density (12560.02098s) started
T12 >> 1462349464.87643003 Pseudo density (9674.97951s) started
T12 >> 1462349464.87970710 Calculate density matrix (9082.39955s) started
T12 << 1462349476.93435788 Calculate density matrix (9094.45420s) stopped
T12 >> 1462349476.93440700 Construct density (577.25527s) started
T12 << 1462349477.72117591 Construct density (578.04204s) stopped
T12 >> 1462349477.73748589 Symmetrize density (0.06504s) started
T12 << 1462349477.73755407 Symmetrize density (0.06511s) stopped
T12 << 1462349477.74002504 Pseudo density (9687.84311s) stopped
T12 >> 1462349477.74008203 Atomic density matrices (2549.42305s) started
T12 << 1462349481.25976491 Atomic density matrices (2552.94273s) stopped
T12 >> 1462349481.25979996 Multipole moments (9.69830s) started
T12 << 1462349481.27592802 Multipole moments (9.71443s) stopped
T12 >> 1462349481.27595901 Normalize (5.14646s) started
T12 << 1462349481.28276110 Normalize (5.15326s) stopped
T12 >> 1462349481.28280902 Mix (320.71279s) started
T12 << 1462349481.68016601 Mix (321.11014s) stopped
T12 << 1462349481.68022108 Density (12576.82479s) stopped
T12 >> 1462349481.68024993 Hamiltonian (38217.11056s) started
T12 >> 1462349481.68026495 vbar (20.32365s) started
T12 << 1462349481.70893502 vbar (20.35232s) stopped
T12 >> 1462349481.70915890 XC 3D grid (21526.69123s) started
T12 >> 1462349482.19141507 van der Waals (20790.05042s) started
T12 >> 1462349482.31211495 semilocal (4393.65370s) started
T12 << 1462349488.07047606 semilocal (4399.41206s) stopped
T12 >> 1462349488.14168811 redistribute (2233.54604s) started
T12 << 1462349489.16355395 redistribute (2234.56790s) stopped
T12 >> 1462349489.16359711 libvdwxc nonlocal (14017.88484s) started
T12 << 1462349507.38496304 libvdwxc nonlocal (14036.10621s) stopped
T12 >> 1462349507.38502789 redistribute (2234.56794s) started
T12 << 1462349509.09230208 redistribute (2236.27521s) stopped
T12 << 1462349509.09318805 van der Waals (20816.95219s) stopped
T12 << 1462349509.55794406 XC 3D grid (21554.54002s) stopped
T12 >> 1462349509.55800295 Poisson (4444.18785s) started
T12 << 1462349516.69086599 Poisson (4451.32071s) stopped
T12 >> 1462349516.69097304 Hartree integrate/restrict (283.86466s) started
T12 << 1462349516.73523402 Hartree integrate/restrict (283.90892s) stopped
T12 >> 1462349516.73530602 Hartree integrate/restrict (283.90897s) started
T12 << 1462349517.04850006 Hartree integrate/restrict (284.22217s) stopped
T12 >> 1462349517.04859805 Atomic (1820.58142s) started
T12 >> 1462349517.05037308 XC Correction (0.02514s) started
T12 << 1462349517.05038810 XC Correction (0.02515s) stopped
T12 << 1462349519.44865608 Atomic (1822.98148s) stopped
T12 >> 1462349519.44884300 Communicate (10121.16577s) started
T12 << 1462349538.20868111 Communicate (10139.92561s) stopped
T12 << 1462349538.20872211 Hamiltonian (38273.63903s) stopped
T12 >> 1462349538.20874810 LCAO eigensolver (53646.01935s) started
T12 >> 1462349538.20876098 Potential matrix (799.14532s) started
T12 << 1462349539.18326712 Potential matrix (800.11983s) stopped
T12 >> 1462349539.18334293 DistributedAtomicCorrection (341.00836s) started
T12 << 1462349539.64794207 DistributedAtomicCorrection (341.47296s) stopped
T12 >> 1462349539.64798999 Distribute overlap matrix (6271.22858s) started
T12 >> 1462349539.64801693 blocked summation (3501.32823s) started
T12 << 1462349544.51230502 blocked summation (3506.19252s) stopped
T12 >> 1462349544.52149296 Scalapack redistribute (2761.86385s) started
T12 << 1462349547.96549892 Scalapack redistribute (2765.30786s) stopped
T12 << 1462349547.96559501 Distribute overlap matrix (6279.54618s) stopped
T12 >> 1462349547.97059608 Blacs Orbital Layouts (44777.42294s) started
T12 >> 1462349547.97905993 General diagonalize (44601.01994s) started
T12 << 1462349603.71450806 General diagonalize (44656.75539s) stopped
T12 >> 1462349603.71455598 Redistribute coefs (6.83886s) started
T12 << 1462349603.72273803 Redistribute coefs (6.84704s) stopped
T12 >> 1462349603.72281289 Send coefs to domains (162.07572s) started
T12 << 1462349603.83446407 Send coefs to domains (162.18737s) stopped
T12 << 1462349603.83498096 Blacs Orbital Layouts (44833.28732s) stopped
T12 >> 1462349603.83500910 Calculate projections (1453.17863s) started
T12 << 1462349605.60365701 Calculate projections (1454.94727s) stopped
T12 << 1462349605.60384798 LCAO eigensolver (53713.41445s) stopped
T12 >> 1462349608.73664403 Density (12576.82480s) started
T12 >> 1462349608.73665905 Pseudo density (9687.84315s) started
T12 >> 1462349608.73898602 Calculate density matrix (9094.45423s) started
T12 << 1462349620.69734502 Calculate density matrix (9106.41259s) stopped
T12 >> 1462349620.69739509 Construct density (578.04210s) started
T12 << 1462349621.48492908 Construct density (578.82963s) stopped
T12 >> 1462349621.50128102 Symmetrize density (0.06512s) started
T12 << 1462349621.50134706 Symmetrize density (0.06519s) stopped
T12 << 1462349621.50377703 Pseudo density (9700.61027s) stopped
T12 >> 1462349621.50383997 Atomic density matrices (2552.94276s) started
T12 << 1462349625.05885601 Atomic density matrices (2556.49777s) stopped
T12 >> 1462349625.05889106 Multipole moments (9.71444s) started
T12 << 1462349625.07493401 Multipole moments (9.73049s) stopped
T12 >> 1462349625.07496810 Normalize (5.15329s) started
T12 << 1462349625.08148408 Normalize (5.15981s) stopped
T12 >> 1462349625.08152199 Mix (321.11019s) started
T12 << 1462349625.50374889 Mix (321.53242s) stopped
T12 << 1462349625.50380993 Density (12593.59197s) stopped
T12 >> 1462349625.50383711 Hamiltonian (38273.63904s) started
T12 >> 1462349625.50385189 vbar (20.35244s) started
T12 << 1462349625.52630305 vbar (20.37490s) stopped
T12 >> 1462349625.52640510 XC 3D grid (21554.54007s) started
T12 >> 1462349626.08710504 van der Waals (20816.95222s) started
T12 >> 1462349626.20106792 semilocal (4399.41215s) started
T12 << 1462349632.04961395 semilocal (4405.26069s) stopped
T12 >> 1462349632.12432504 redistribute (2236.27527s) started
T12 << 1462349633.07879305 redistribute (2237.22974s) stopped
T12 >> 1462349633.07884002 libvdwxc nonlocal (14036.10626s) started
T12 << 1462349651.65138698 libvdwxc nonlocal (14054.67880s) stopped
T12 >> 1462349651.65144801 redistribute (2237.22977s) started
T12 << 1462349653.32896996 redistribute (2238.90729s) stopped
T12 << 1462349653.32981396 van der Waals (20844.19493s) stopped
T12 << 1462349653.79104900 XC 3D grid (21582.80471s) stopped
T12 >> 1462349653.79109693 Poisson (4451.32079s) started
T12 << 1462349659.60879111 Poisson (4457.13848s) stopped
T12 >> 1462349659.60890293 Hartree integrate/restrict (284.22222s) started
T12 << 1462349659.65125990 Hartree integrate/restrict (284.26457s) stopped
T12 >> 1462349659.65133095 Hartree integrate/restrict (284.26462s) started
T12 << 1462349659.97825694 Hartree integrate/restrict (284.59155s) stopped
T12 >> 1462349659.97832704 Atomic (1822.98150s) started
T12 >> 1462349659.98013496 XC Correction (0.02516s) started
T12 << 1462349659.98014998 XC Correction (0.02518s) stopped
T12 << 1462349662.36955309 Atomic (1825.37273s) stopped
T12 >> 1462349662.36973095 Communicate (10139.92564s) started
T12 << 1462349680.47856307 Communicate (10158.03447s) stopped
T12 << 1462349680.47860193 Hamiltonian (38328.61381s) stopped
T12 >> 1462349680.47862792 LCAO eigensolver (53713.41447s) started
T12 >> 1462349680.47864103 Potential matrix (800.11987s) started
T12 << 1462349681.45611310 Potential matrix (801.09735s) stopped
T12 >> 1462349681.45618391 DistributedAtomicCorrection (341.47300s) started
T12 << 1462349681.92147207 DistributedAtomicCorrection (341.93828s) stopped
T12 >> 1462349681.92153001 Distribute overlap matrix (6279.54620s) started
T12 >> 1462349681.92155194 blocked summation (3506.19255s) started
T12 << 1462349686.76165390 blocked summation (3511.03265s) stopped
T12 >> 1462349686.77185988 Scalapack redistribute (2765.30792s) started
T12 << 1462349690.34598589 Scalapack redistribute (2768.88205s) stopped
T12 << 1462349690.34608603 Distribute overlap matrix (6287.97075s) stopped
T12 >> 1462349690.35111189 Blacs Orbital Layouts (44833.28734s) started
T12 >> 1462349690.35958290 General diagonalize (44656.75543s) started
T12 << 1462349745.76961398 General diagonalize (44712.16546s) stopped
T12 >> 1462349745.76971889 Redistribute coefs (6.84710s) started
T12 << 1462349745.77941489 Redistribute coefs (6.85680s) stopped
T12 >> 1462349745.77947211 Send coefs to domains (162.18740s) started
T12 << 1462349745.90620494 Send coefs to domains (162.31414s) stopped
T12 << 1462349745.90667892 Blacs Orbital Layouts (44888.84291s) stopped
T12 >> 1462349745.90674090 Calculate projections (1454.94732s) started
T12 << 1462349747.68991303 Calculate projections (1456.73049s) stopped
T12 << 1462349747.69014812 LCAO eigensolver (53780.62599s) stopped
T12 >> 1462349750.78552294 Density (12593.59198s) started
T12 >> 1462349750.78554010 Pseudo density (9700.61032s) started
T12 >> 1462349750.78793597 Calculate density matrix (9106.41263s) started
T12 << 1462349762.73825908 Calculate density matrix (9118.36295s) stopped
T12 >> 1462349762.73831511 Construct density (578.82968s) started
T12 << 1462349763.52449298 Construct density (579.61586s) stopped
T12 >> 1462349763.53885698 Symmetrize density (0.06521s) started
T12 << 1462349763.53893709 Symmetrize density (0.06529s) stopped
T12 << 1462349763.54104590 Pseudo density (9713.36583s) stopped
T12 >> 1462349763.54111505 Atomic density matrices (2556.49780s) started
T12 << 1462349766.99445796 Atomic density matrices (2559.95114s) stopped
T12 >> 1462349766.99449396 Multipole moments (9.73050s) started
T12 << 1462349767.01008892 Multipole moments (9.74610s) stopped
T12 >> 1462349767.01012301 Normalize (5.15984s) started
T12 << 1462349767.01632309 Normalize (5.16604s) stopped
T12 >> 1462349767.01638889 Mix (321.53248s) started
T12 << 1462349767.42445707 Mix (321.94055s) stopped
T12 << 1462349767.42454195 Density (12610.23100s) stopped
T12 >> 1462349767.42457891 Hamiltonian (38328.61382s) started
T12 >> 1462349767.42459702 vbar (20.37495s) started
T12 << 1462349767.45467496 vbar (20.40503s) stopped
T12 >> 1462349767.45480490 XC 3D grid (21582.80475s) started
T12 >> 1462349767.98666000 van der Waals (20844.19496s) started
T12 >> 1462349768.09621406 semilocal (4405.26076s) started
T12 << 1462349773.86967993 semilocal (4411.03423s) stopped
T12 >> 1462349773.94778609 redistribute (2238.90735s) started
T12 << 1462349774.95001698 redistribute (2239.90958s) stopped
T12 >> 1462349774.95010900 libvdwxc nonlocal (14054.67885s) started
T12 << 1462349792.93162489 libvdwxc nonlocal (14072.66037s) stopped
T12 >> 1462349792.93170404 redistribute (2239.90965s) started
T12 << 1462349794.88046694 redistribute (2241.85841s) stopped
T12 << 1462349794.88168597 van der Waals (20871.08998s) stopped
T12 << 1462349795.34533000 XC 3D grid (21610.69527s) stopped
T12 >> 1462349795.34538007 Poisson (4457.13857s) started
T12 << 1462349801.07865095 Poisson (4462.87184s) stopped
T12 >> 1462349801.07874393 Hartree integrate/restrict (284.59158s) started
T12 << 1462349801.11608505 Hartree integrate/restrict (284.62892s) stopped
T12 >> 1462349801.11617804 Hartree integrate/restrict (284.62898s) started
T12 << 1462349801.47260404 Hartree integrate/restrict (284.98541s) stopped
T12 >> 1462349801.47270703 Atomic (1825.37275s) started
T12 >> 1462349801.47461796 XC Correction (0.02519s) started
T12 << 1462349801.47463489 XC Correction (0.02521s) stopped
T12 << 1462349803.85047102 Atomic (1827.75051s) stopped
T12 >> 1462349803.85065198 Communicate (10158.03449s) started
T12 << 1462349821.14023304 Communicate (10175.32407s) stopped
T12 << 1462349821.14026904 Hamiltonian (38382.32951s) stopped
T12 >> 1462349821.14029288 LCAO eigensolver (53780.62601s) started
T12 >> 1462349821.14030600 Potential matrix (801.09739s) started
T12 << 1462349822.11085200 Potential matrix (802.06793s) stopped
T12 >> 1462349822.11092401 DistributedAtomicCorrection (341.93832s) started
T12 << 1462349822.57271791 DistributedAtomicCorrection (342.40012s) stopped
T12 >> 1462349822.57277703 Distribute overlap matrix (6287.97076s) started
T12 >> 1462349822.57280302 blocked summation (3511.03268s) started
T12 << 1462349827.35144997 blocked summation (3515.81133s) stopped
T12 >> 1462349827.36195207 Scalapack redistribute (2768.88211s) started
T12 << 1462349831.06775904 Scalapack redistribute (2772.58792s) stopped
T12 << 1462349831.06787205 Distribute overlap matrix (6296.46586s) stopped
T12 >> 1462349831.07248592 Blacs Orbital Layouts (44888.84293s) started
T12 >> 1462349831.08139610 General diagonalize (44712.16555s) started
T12 << 1462349886.73730707 General diagonalize (44767.82146s) stopped
T12 >> 1462349886.73735404 Redistribute coefs (6.85684s) started
T12 << 1462349886.74557304 Redistribute coefs (6.86506s) stopped
T12 >> 1462349886.74564290 Send coefs to domains (162.31417s) started
T12 << 1462349886.97088504 Send coefs to domains (162.53942s) stopped
T12 << 1462349886.97136497 Blacs Orbital Layouts (44944.74181s) stopped
T12 >> 1462349886.97139502 Calculate projections (1456.73055s) started
T12 << 1462349888.74223304 Calculate projections (1458.50139s) stopped
T12 << 1462349888.74258804 LCAO eigensolver (53848.22830s) stopped
T12 >> 1462349891.83916211 Density (12610.23102s) started
T12 >> 1462349891.83917809 Pseudo density (9713.36588s) started
T12 >> 1462349891.84160805 Calculate density matrix (9118.36299s) started
T12 << 1462349903.72560906 Calculate density matrix (9130.24699s) stopped
T12 >> 1462349903.72565699 Construct density (579.61592s) started
T12 << 1462349904.51186490 Construct density (580.40213s) stopped
T12 >> 1462349904.52831101 Symmetrize density (0.06531s) started
T12 << 1462349904.52837610 Symmetrize density (0.06537s) stopped
T12 << 1462349904.53080201 Pseudo density (9726.05751s) stopped
T12 >> 1462349904.53085995 Atomic density matrices (2559.95117s) started
T12 << 1462349908.06220698 Atomic density matrices (2563.48252s) stopped
T12 >> 1462349908.06224108 Multipole moments (9.74612s) started
T12 << 1462349908.07832408 Multipole moments (9.76220s) stopped
T12 >> 1462349908.07835507 Normalize (5.16609s) started
T12 << 1462349908.08522105 Normalize (5.17295s) stopped
T12 >> 1462349908.08525991 Mix (321.94063s) started
T12 << 1462349908.55252600 Mix (322.40790s) stopped
T12 << 1462349908.55258298 Density (12626.94444s) stopped
T12 >> 1462349908.55260801 Hamiltonian (38382.32952s) started
T12 >> 1462349908.55262208 vbar (20.40510s) started
T12 << 1462349908.57517505 vbar (20.42765s) stopped
T12 >> 1462349908.57528806 XC 3D grid (21610.69531s) started
T12 >> 1462349909.14691305 van der Waals (20871.09000s) started
T12 >> 1462349909.25955296 semilocal (4411.03431s) started
T12 << 1462349915.01935792 semilocal (4416.79411s) stopped
T12 >> 1462349915.09375691 redistribute (2241.85847s) started
T12 << 1462349916.11017799 redistribute (2242.87489s) stopped
T12 >> 1462349916.11022091 libvdwxc nonlocal (14072.66042s) started
T12 << 1462349935.12003589 libvdwxc nonlocal (14091.67024s) stopped
T12 >> 1462349935.12010407 redistribute (2242.87492s) started
T12 << 1462349936.82110906 redistribute (2244.57592s) stopped
T12 << 1462349936.82216501 van der Waals (20898.76525s) stopped
T12 << 1462349937.28803110 XC 3D grid (21639.40805s) stopped
T12 >> 1462349937.28811193 Poisson (4462.87191s) started
T12 << 1462349941.74102592 Poisson (4467.32482s) stopped
T12 >> 1462349941.74113297 Hartree integrate/restrict (284.98546s) started
T12 << 1462349941.78839397 Hartree integrate/restrict (285.03272s) stopped
T12 >> 1462349941.78845406 Hartree integrate/restrict (285.03276s) started
T12 << 1462349942.08851790 Hartree integrate/restrict (285.33282s) stopped
T12 >> 1462349942.08861899 Atomic (1827.75054s) started
T12 >> 1462349942.09045196 XC Correction (0.02522s) started
T12 << 1462349942.09047008 XC Correction (0.02524s) stopped
T12 << 1462349944.57736993 Atomic (1830.23929s) stopped
T12 >> 1462349944.57754207 Communicate (10175.32410s) started
T12 << 1462349961.88591290 Communicate (10192.63247s) stopped
T12 << 1462349961.88595009 Hamiltonian (38435.66286s) stopped
T12 >> 1462349961.88597488 LCAO eigensolver (53848.22832s) started
T12 >> 1462349961.88598800 Potential matrix (802.06798s) started
T12 << 1462349962.87022710 Potential matrix (803.05222s) stopped
T12 >> 1462349962.87029791 DistributedAtomicCorrection (342.40016s) started
T12 << 1462349963.32985997 DistributedAtomicCorrection (342.85972s) stopped
T12 >> 1462349963.32992101 Distribute overlap matrix (6296.46587s) started
T12 >> 1462349963.32994390 blocked summation (3515.81136s) started
T12 << 1462349968.18910098 blocked summation (3520.67052s) stopped
T12 >> 1462349968.19897699 Scalapack redistribute (2772.58799s) started
T12 << 1462349971.74754691 Scalapack redistribute (2776.13656s) stopped
T12 << 1462349971.74765897 Distribute overlap matrix (6304.88361s) stopped
T12 >> 1462349971.75246906 Blacs Orbital Layouts (44944.74183s) started
T12 >> 1462349971.76096392 General diagonalize (44767.82150s) started
T12 << 1462350024.81977391 General diagonalize (44820.88031s) stopped
T12 >> 1462350024.81985211 Redistribute coefs (6.86512s) started
T12 << 1462350024.82867908 Redistribute coefs (6.87394s) stopped
T12 >> 1462350024.82874894 Send coefs to domains (162.53945s) started
T12 << 1462350024.98167300 Send coefs to domains (162.69237s) stopped
T12 << 1462350024.98233700 Blacs Orbital Layouts (44997.97169s) stopped
T12 >> 1462350024.98236799 Calculate projections (1458.50144s) started
T12 << 1462350026.75192308 Calculate projections (1460.27099s) stopped
T12 << 1462350026.75228000 LCAO eigensolver (53913.09463s) stopped
T12 >> 1462350029.86290598 Density (12626.94445s) started
T12 >> 1462350029.86292195 Pseudo density (9726.05755s) started
T12 >> 1462350029.86641908 Calculate density matrix (9130.24702s) started
T12 << 1462350041.81451011 Calculate density matrix (9142.19511s) stopped
T12 >> 1462350041.81455803 Construct density (580.40218s) started
T12 << 1462350042.59976697 Construct density (581.18739s) stopped
T12 >> 1462350042.61589503 Symmetrize density (0.06539s) started
T12 << 1462350042.61595702 Symmetrize density (0.06545s) stopped
T12 << 1462350042.61837196 Pseudo density (9738.81300s) stopped
T12 >> 1462350042.61842704 Atomic density matrices (2563.48254s) started
T12 << 1462350046.15446210 Atomic density matrices (2567.01858s) stopped
T12 >> 1462350046.15449595 Multipole moments (9.76222s) started
T12 << 1462350046.17059112 Multipole moments (9.77831s) stopped
T12 >> 1462350046.17062092 Normalize (5.17298s) started
T12 << 1462350046.17744994 Normalize (5.17981s) stopped
T12 >> 1462350046.17749000 Mix (322.40795s) started
T12 << 1462350046.61773300 Mix (322.84819s) stopped
T12 << 1462350046.61779809 Density (12643.69934s) stopped
T12 >> 1462350046.61782503 Hamiltonian (38435.66287s) started
T12 >> 1462350046.61783910 vbar (20.42772s) started
T12 << 1462350046.63841891 vbar (20.44830s) stopped
T12 >> 1462350046.63850689 XC 3D grid (21639.40812s) started
T12 >> 1462350047.18634009 van der Waals (20898.76528s) started
T12 >> 1462350047.30172801 semilocal (4416.79419s) started
T12 << 1462350053.05345607 semilocal (4422.54592s) stopped
T12 >> 1462350053.12923694 redistribute (2244.57598s) started
T12 << 1462350054.14744592 redistribute (2245.59419s) stopped
T12 >> 1462350054.14751410 libvdwxc nonlocal (14091.67029s) started
T12 << 1462350072.32326508 libvdwxc nonlocal (14109.84604s) stopped
T12 >> 1462350072.32332993 redistribute (2245.59424s) started
T12 << 1462350074.09968209 redistribute (2247.37059s) stopped
T12 << 1462350074.10067701 van der Waals (20925.67962s) stopped
T12 << 1462350074.56171894 XC 3D grid (21667.33134s) stopped
T12 >> 1462350074.56175995 Poisson (4467.32489s) started
T12 << 1462350078.98566008 Poisson (4471.74879s) stopped
T12 >> 1462350078.98574996 Hartree integrate/restrict (285.33288s) started
T12 << 1462350079.03290391 Hartree integrate/restrict (285.38003s) stopped
T12 >> 1462350079.03294802 Hartree integrate/restrict (285.38006s) started
T12 << 1462350079.34891295 Hartree integrate/restrict (285.69603s) stopped
T12 >> 1462350079.34901500 Atomic (1830.23931s) started
T12 >> 1462350079.35078812 XC Correction (0.02525s) started
T12 << 1462350079.35080290 XC Correction (0.02526s) stopped
T12 << 1462350081.74043608 Atomic (1832.63073s) stopped
T12 >> 1462350081.74060297 Communicate (10192.63249s) started
T12 << 1462350099.02411199 Communicate (10209.91600s) stopped
T12 << 1462350099.02414894 Hamiltonian (38488.06920s) stopped
T12 >> 1462350099.02417397 LCAO eigensolver (53913.09464s) started
T12 >> 1462350099.02418709 Potential matrix (803.05226s) started
T12 << 1462350100.01030993 Potential matrix (804.03838s) stopped
T12 >> 1462350100.01038098 DistributedAtomicCorrection (342.85976s) started
T12 << 1462350100.46891689 DistributedAtomicCorrection (343.31830s) stopped
T12 >> 1462350100.46897602 Distribute overlap matrix (6304.88362s) started
T12 >> 1462350100.46899700 blocked summation (3520.67055s) started
T12 << 1462350105.27572203 blocked summation (3525.47727s) stopped
T12 >> 1462350105.28553891 Scalapack redistribute (2776.13663s) started
T12 << 1462350108.96527410 Scalapack redistribute (2779.81636s) stopped
T12 << 1462350108.96534204 Distribute overlap matrix (6313.37999s) stopped
T12 >> 1462350108.97028708 Blacs Orbital Layouts (44997.97172s) started
T12 >> 1462350108.97900701 General diagonalize (44820.88037s) started
T12 << 1462350165.87363601 General diagonalize (44877.77500s) stopped
T12 >> 1462350165.87368202 Redistribute coefs (6.87400s) started
T12 << 1462350165.88210893 Redistribute coefs (6.88243s) stopped
T12 >> 1462350165.88217711 Send coefs to domains (162.69240s) started
T12 << 1462350165.97530389 Send coefs to domains (162.78553s) stopped
T12 << 1462350165.97571802 Blacs Orbital Layouts (45054.97715s) stopped
T12 >> 1462350165.97577190 Calculate projections (1460.27104s) started
T12 << 1462350167.74615598 Calculate projections (1462.04143s) stopped
T12 << 1462350167.74651694 LCAO eigensolver (53981.81699s) stopped
T12 >> 1462350170.84933996 Density (12643.69936s) started
T12 >> 1462350170.84935594 Pseudo density (9738.81305s) started
T12 >> 1462350170.85237598 Calculate density matrix (9142.19514s) started
T12 << 1462350182.73717403 Calculate density matrix (9154.07994s) stopped
T12 >> 1462350182.73722196 Construct density (581.18744s) started
T12 << 1462350183.52350998 Construct density (581.97373s) stopped
T12 >> 1462350183.53975105 Symmetrize density (0.06547s) started
T12 << 1462350183.53981900 Symmetrize density (0.06553s) stopped
T12 << 1462350183.54225302 Pseudo density (9751.50595s) stopped
T12 >> 1462350183.54231000 Atomic density matrices (2567.01860s) started
T12 << 1462350187.10336304 Atomic density matrices (2570.57966s) stopped
T12 >> 1462350187.10339594 Multipole moments (9.77833s) started
T12 << 1462350187.11953902 Multipole moments (9.79447s) stopped
T12 >> 1462350187.11957002 Normalize (5.17984s) started
T12 << 1462350187.12723207 Normalize (5.18750s) stopped
T12 >> 1462350187.12727308 Mix (322.84826s) started
T12 << 1462350187.54206395 Mix (323.26305s) stopped
T12 << 1462350187.54211712 Density (12660.39213s) stopped
T12 >> 1462350187.54214406 Hamiltonian (38488.06921s) started
T12 >> 1462350187.54215789 vbar (20.44835s) started
T12 << 1462350187.56172395 vbar (20.46792s) stopped
T12 >> 1462350187.56182408 XC 3D grid (21667.33137s) started
T12 >> 1462350188.23354101 van der Waals (20925.67964s) started
T12 >> 1462350188.34468198 semilocal (4422.54599s) started
T12 << 1462350194.14762306 semilocal (4428.34893s) stopped
T12 >> 1462350194.22365999 redistribute (2247.37065s) started
T12 << 1462350195.22350693 redistribute (2248.37050s) stopped
T12 >> 1462350195.22357106 libvdwxc nonlocal (14109.84609s) started
T12 << 1462350214.23576689 libvdwxc nonlocal (14128.85829s) stopped
T12 >> 1462350214.23585296 redistribute (2248.37055s) started
T12 << 1462350216.02822590 redistribute (2250.16292s) stopped
T12 << 1462350216.02918005 van der Waals (20953.47528s) stopped
T12 << 1462350216.50343394 XC 3D grid (21696.27298s) stopped
T12 >> 1462350216.50349903 Poisson (4471.74885s) started
T12 << 1462350220.98230791 Poisson (4476.22766s) stopped
T12 >> 1462350220.98239899 Hartree integrate/restrict (285.69608s) started
T12 << 1462350221.03902006 Hartree integrate/restrict (285.75270s) stopped
T12 >> 1462350221.03909397 Hartree integrate/restrict (285.75275s) started
T12 << 1462350221.33658099 Hartree integrate/restrict (286.05024s) stopped
T12 >> 1462350221.33667397 Atomic (1832.63076s) started
T12 >> 1462350221.33852291 XC Correction (0.02527s) started
T12 << 1462350221.33853889 XC Correction (0.02529s) stopped
T12 << 1462350223.73171997 Atomic (1835.02580s) stopped
T12 >> 1462350223.73188710 Communicate (10209.91602s) started
T12 << 1462350241.15582299 Communicate (10227.33996s) stopped
T12 << 1462350241.15586209 Hamiltonian (38541.68293s) stopped
T12 >> 1462350241.15588689 LCAO eigensolver (53981.81701s) started
T12 >> 1462350241.15590000 Potential matrix (804.03842s) started
T12 << 1462350242.13262296 Potential matrix (805.01515s) stopped
T12 >> 1462350242.13269591 DistributedAtomicCorrection (343.31833s) started
T12 << 1462350242.59397888 DistributedAtomicCorrection (343.77962s) stopped
T12 >> 1462350242.59403706 Distribute overlap matrix (6313.38000s) started
T12 >> 1462350242.59405899 blocked summation (3525.47731s) started
T12 << 1462350247.42723107 blocked summation (3530.31048s) stopped
T12 >> 1462350247.43729901 Scalapack redistribute (2779.81640s) started
T12 << 1462350251.08309889 Scalapack redistribute (2783.46220s) stopped
T12 << 1462350251.08319807 Distribute overlap matrix (6321.86916s) stopped
T12 >> 1462350251.08769608 Blacs Orbital Layouts (45054.97717s) started
T12 >> 1462350251.09664702 General diagonalize (44877.77504s) started
T12 << 1462350306.06913710 General diagonalize (44932.74753s) stopped
T12 >> 1462350306.06920910 Redistribute coefs (6.88248s) started
T12 << 1462350306.07811999 Redistribute coefs (6.89140s) stopped
T12 >> 1462350306.07819390 Send coefs to domains (162.78556s) started
T12 << 1462350306.22254896 Send coefs to domains (162.92992s) stopped
T12 << 1462350306.22302890 Blacs Orbital Layouts (45110.11250s) stopped
T12 >> 1462350306.22308207 Calculate projections (1462.04148s) started
T12 << 1462350307.99276209 Calculate projections (1463.81116s) stopped
T12 << 1462350307.99312210 LCAO eigensolver (54048.65424s) stopped
T12 >> 1462350311.10997105 Density (12660.39215s) started
T12 >> 1462350311.10998607 Pseudo density (9751.50599s) started
T12 >> 1462350311.11246610 Calculate density matrix (9154.07998s) started
T12 << 1462350323.04269409 Calculate density matrix (9166.01020s) stopped
T12 >> 1462350323.04274201 Construct density (581.97378s) started
T12 << 1462350323.82925296 Construct density (582.76029s) stopped
T12 >> 1462350323.84553003 Symmetrize density (0.06555s) started
T12 << 1462350323.84559298 Symmetrize density (0.06561s) stopped
T12 << 1462350323.84804511 Pseudo density (9764.24405s) stopped
T12 >> 1462350323.84810400 Atomic density matrices (2570.57968s) started
T12 << 1462350327.48176098 Atomic density matrices (2574.21334s) stopped
T12 >> 1462350327.48179889 Multipole moments (9.79449s) started
T12 << 1462350327.49869490 Multipole moments (9.81138s) stopped
T12 >> 1462350327.49872589 Normalize (5.18753s) started
T12 << 1462350327.50549507 Normalize (5.19430s) stopped
T12 >> 1462350327.50553703 Mix (323.26310s) started
T12 << 1462350327.94147992 Mix (323.69904s) stopped
T12 << 1462350327.94154906 Density (12677.22373s) stopped
T12 >> 1462350327.94157791 Hamiltonian (38541.68294s) started
T12 >> 1462350327.94159293 vbar (20.46798s) started
T12 << 1462350327.96446490 vbar (20.49085s) stopped
T12 >> 1462350327.96455503 XC 3D grid (21696.27303s) started
T12 >> 1462350328.49119806 van der Waals (20953.47531s) started
T12 >> 1462350328.60649490 semilocal (4428.34899s) started
T12 << 1462350334.42455912 semilocal (4434.16706s) stopped
T12 >> 1462350334.49886990 redistribute (2250.16298s) started
T12 << 1462350335.52147508 redistribute (2251.18558s) stopped
T12 >> 1462350335.52152991 libvdwxc nonlocal (14128.85836s) started
T12 << 1462350353.96414804 libvdwxc nonlocal (14147.30098s) stopped
T12 >> 1462350353.96421099 redistribute (2251.18561s) started
T12 << 1462350355.77000403 redistribute (2252.99141s) stopped
T12 << 1462350355.77096009 van der Waals (20980.75507s) stopped
T12 << 1462350356.23456812 XC 3D grid (21724.54304s) stopped
T12 >> 1462350356.23462701 Poisson (4476.22773s) started
T12 << 1462350359.25662899 Poisson (4479.24973s) stopped
T12 >> 1462350359.25675511 Hartree integrate/restrict (286.05029s) started
T12 << 1462350359.29867291 Hartree integrate/restrict (286.09220s) stopped
T12 >> 1462350359.29871893 Hartree integrate/restrict (286.09223s) started
T12 << 1462350359.62459111 Hartree integrate/restrict (286.41810s) stopped
T12 >> 1462350359.62469792 Atomic (1835.02583s) started
T12 >> 1462350359.62647104 XC Correction (0.02530s) started
T12 << 1462350359.62648606 XC Correction (0.02531s) stopped
T12 << 1462350362.02063489 Atomic (1837.42176s) stopped
T12 >> 1462350362.02079797 Communicate (10227.33998s) started
T12 << 1462350379.44813108 Communicate (10244.76732s) stopped
T12 << 1462350379.44816399 Hamiltonian (38593.18953s) stopped
T12 >> 1462350379.44818807 LCAO eigensolver (54048.65426s) started
T12 >> 1462350379.44820094 Potential matrix (805.01519s) started
T12 << 1462350380.43111992 Potential matrix (805.99811s) stopped
T12 >> 1462350380.43120599 DistributedAtomicCorrection (343.77966s) started
T12 << 1462350380.89823604 DistributedAtomicCorrection (344.24669s) stopped
T12 >> 1462350380.89829493 Distribute overlap matrix (6321.86917s) started
T12 >> 1462350380.89831710 blocked summation (3530.31051s) started
T12 << 1462350385.69797111 blocked summation (3535.11017s) stopped
T12 >> 1462350385.70842791 Scalapack redistribute (2783.46226s) started
T12 << 1462350389.36730003 Scalapack redistribute (2787.12113s) stopped
T12 << 1462350389.36740208 Distribute overlap matrix (6330.33828s) stopped
T12 >> 1462350389.37183094 Blacs Orbital Layouts (45110.11252s) started
T12 >> 1462350389.38087010 General diagonalize (44932.74759s) started
T12 << 1462350445.13587499 General diagonalize (44988.50259s) stopped
T12 >> 1462350445.13595104 Redistribute coefs (6.89146s) started
T12 << 1462350445.14432096 Redistribute coefs (6.89983s) stopped
T12 >> 1462350445.14439988 Send coefs to domains (162.92995s) started
T12 << 1462350445.26756597 Send coefs to domains (163.05312s) stopped
T12 << 1462350445.26799297 Blacs Orbital Layouts (45166.00868s) stopped
T12 >> 1462350445.26802301 Calculate projections (1463.81121s) started
T12 << 1462350447.03652501 Calculate projections (1465.57971s) stopped
T12 << 1462350447.03688097 LCAO eigensolver (54116.24295s) stopped
T12 >> 1462350450.15876794 Density (12677.22374s) started
T12 >> 1462350450.15878701 Pseudo density (9764.24410s) started
T12 >> 1462350450.16113400 Calculate density matrix (9166.01024s) started
T12 << 1462350462.14114094 Calculate density matrix (9177.99025s) stopped
T12 >> 1462350462.14119005 Construct density (582.76034s) started
T12 << 1462350462.92640901 Construct density (583.54556s) stopped
T12 >> 1462350462.94263411 Symmetrize density (0.06563s) started
T12 << 1462350462.94270205 Symmetrize density (0.06570s) stopped
T12 << 1462350462.94514298 Pseudo density (9777.03045s) stopped
T12 >> 1462350462.94520211 Atomic density matrices (2574.21337s) started
T12 << 1462350466.55841804 Atomic density matrices (2577.82658s) stopped
T12 >> 1462350466.55847096 Multipole moments (9.81140s) started
T12 << 1462350466.57467103 Multipole moments (9.82760s) stopped
T12 >> 1462350466.57470202 Normalize (5.19433s) started
T12 << 1462350466.58152699 Normalize (5.20115s) stopped
T12 >> 1462350466.58156705 Mix (323.69911s) started
T12 << 1462350467.06296396 Mix (324.18051s) stopped
T12 << 1462350467.06299496 Density (12694.12797s) stopped
T12 >> 1462350467.06301999 Hamiltonian (38593.18954s) started
T12 >> 1462350467.06303406 vbar (20.49091s) started
T12 << 1462350467.08889890 vbar (20.51677s) stopped
T12 >> 1462350467.08897901 XC 3D grid (21724.54309s) started
T12 >> 1462350467.58266902 van der Waals (20980.75510s) started
T12 >> 1462350467.69649911 semilocal (4434.16714s) started
T12 << 1462350473.53194404 semilocal (4440.00259s) stopped
T12 >> 1462350473.60487199 redistribute (2252.99147s) started
T12 << 1462350474.56595397 redistribute (2253.95255s) stopped
T12 >> 1462350474.56600904 libvdwxc nonlocal (14147.30103s) started
T12 << 1462350493.04490399 libvdwxc nonlocal (14165.77992s) stopped
T12 >> 1462350493.04496908 redistribute (2253.95258s) started
T12 << 1462350494.77649093 redistribute (2255.68410s) stopped
T12 << 1462350494.77743912 van der Waals (21007.94987s) stopped
T12 << 1462350495.23747802 XC 3D grid (21752.69159s) stopped
T12 >> 1462350495.23751998 Poisson (4479.24983s) started
T12 << 1462350499.59779310 Poisson (4483.61010s) stopped
T12 >> 1462350499.59786010 Hartree integrate/restrict (286.41816s) started
T12 << 1462350499.64484811 Hartree integrate/restrict (286.46515s) stopped
T12 >> 1462350499.64489388 Hartree integrate/restrict (286.46518s) started
T12 << 1462350499.96152306 Hartree integrate/restrict (286.78181s) stopped
T12 >> 1462350499.96159410 Atomic (1837.42178s) started
T12 >> 1462350499.96338606 XC Correction (0.02532s) started
T12 << 1462350499.96340108 XC Correction (0.02534s) stopped
T12 << 1462350502.35181999 Atomic (1839.81201s) stopped
T12 >> 1462350502.35197711 Communicate (10244.76734s) started
T12 << 1462350519.83411098 Communicate (10262.24947s) stopped
T12 << 1462350519.83414888 Hamiltonian (38645.96067s) stopped
T12 >> 1462350519.83417392 LCAO eigensolver (54116.24297s) started
T12 >> 1462350519.83418703 Potential matrix (805.99816s) started
T12 << 1462350520.81986809 Potential matrix (806.98384s) stopped
T12 >> 1462350520.81995296 DistributedAtomicCorrection (344.24672s) started
T12 << 1462350521.29060888 DistributedAtomicCorrection (344.71738s) stopped
T12 >> 1462350521.29066992 Distribute overlap matrix (6330.33829s) started
T12 >> 1462350521.29069090 blocked summation (3535.11020s) started
T12 << 1462350526.10614300 blocked summation (3539.92565s) stopped
T12 >> 1462350526.11543012 Scalapack redistribute (2787.12119s) started
T12 << 1462350529.85588908 Scalapack redistribute (2790.86165s) stopped
T12 << 1462350529.85598612 Distribute overlap matrix (6338.90361s) stopped
T12 >> 1462350529.86051393 Blacs Orbital Layouts (45166.00870s) started
T12 >> 1462350529.86944103 General diagonalize (44988.50266s) started
T12 << 1462350584.05560493 General diagonalize (45042.68882s) stopped
T12 >> 1462350584.05565906 Redistribute coefs (6.89989s) started
T12 << 1462350584.06528807 Redistribute coefs (6.90952s) stopped
T12 >> 1462350584.06534290 Send coefs to domains (163.05315s) started
T12 << 1462350584.21748304 Send coefs to domains (163.20529s) stopped
T12 << 1462350584.21797705 Blacs Orbital Layouts (45220.36616s) stopped
T12 >> 1462350584.21801090 Calculate projections (1465.57976s) started
T12 << 1462350586.00071692 Calculate projections (1467.36247s) stopped
T12 << 1462350586.00117803 LCAO eigensolver (54182.40998s) stopped
T12 << 1462350589.11026311 SCF-cycle (108153.25765s) stopped
T12 >> 1462350591.39568210 Force calculation (5146.19754s) started
T12 >> 1462350591.39578009 LCAO forces (5090.64226s) started
T12 >> 1462350591.39617300 Initial (0.00147s) started
T12 << 1462350591.39618492 Initial (0.00148s) stopped
T12 >> 1462350591.40297890 Get density matrix (2644.02100s) started
T12 << 1462350600.77540207 Get density matrix (2653.39342s) stopped
T12 >> 1462350600.77544999 Potential (400.55784s) started
T12 << 1462350607.05441189 Potential (406.83681s) stopped
T12 >> 1462350607.05447412 Get density matrix (2653.39346s) started
T12 << 1462350638.85703301 Get density matrix (2685.19602s) stopped
T12 >> 1462350638.85710406 Prepare TCI loop (142.62944s) started
T12 >> 1462350638.85769010 Get neighbors (126.80297s) started
T12 << 1462350640.93893695 Get neighbors (128.88421s) stopped
T12 >> 1462350640.93988705 broadcast dH (15.74926s) started
T12 << 1462350641.21674490 broadcast dH (16.02612s) stopped
T12 << 1462350641.21679306 Prepare TCI loop (144.98913s) stopped
T12 >> 1462350641.21681690 Not so complicated loop (7.76019s) started
T12 << 1462350641.34292603 Not so complicated loop (7.88630s) stopped
T12 >> 1462350641.47064710 Complicated loop (1232.80223s) started
T12 << 1462350661.46994901 Complicated loop (1252.80154s) stopped
T12 >> 1462350661.47266507 Wait for sum (654.43649s) started
T12 << 1462350672.67931700 Wait for sum (665.64314s) stopped
T12 << 1462350672.67936301 LCAO forces (5171.92584s) stopped
T12 << 1462350673.58293390 Force calculation (5228.38479s) stopped
T12 >> 1462350673.60093689 Initialization (8627.36885s) started
T12 << 1462350673.60111499 Initialization (8627.36903s) stopped
T12 >> 1462350673.60134006 Initialization (8627.36905s) started
T12 << 1462350673.60147595 Initialization (8627.36918s) stopped
T12 >> 1462350673.60161710 Initialization (8627.36920s) started
T12 << 1462350673.60174990 Initialization (8627.36933s) stopped
T12 >> 1462350693.89903903 Initialization (8627.36935s) started
T12 >> 1462350694.01704192 Basic WFS set positions (5.85455s) started
T12 >> 1462350694.01706910 Redistribute (0.01647s) started
T12 << 1462350694.01720405 Redistribute (0.01660s) stopped
T12 << 1462350694.11037302 Basic WFS set positions (5.94789s) stopped
T12 >> 1462350694.11040592 Basis functions set positions (123.59278s) started
T12 << 1462350696.08977199 Basis functions set positions (125.57214s) stopped
T12 >> 1462350696.09043407 TCI: Calculate S, T, P (1020.09074s) started
T12 << 1462350712.06053710 TCI: Calculate S, T, P (1036.06085s) stopped
T12 >> 1462350712.06059599 blocked summation (1708.77524s) started
T12 << 1462350743.91633701 blocked summation (1740.63098s) stopped
T12 >> 1462350743.92588592 Scalapack redistribute (614.39547s) started
T12 << 1462350754.45133400 Scalapack redistribute (624.92092s) stopped
T12 >> 1462350754.45238090 blocked summation (1740.63102s) started
T12 << 1462350755.49030089 blocked summation (1741.66894s) stopped
T12 >> 1462350755.50029492 Scalapack redistribute (624.92098s) started
T12 << 1462350755.70383310 Scalapack redistribute (625.12452s) stopped
T12 >> 1462350755.70604300 Redistribute (0.12502s) started
T12 << 1462350755.70657611 Redistribute (0.12556s) stopped
T12 >> 1462350757.46713400 Redistribute (0.12557s) started
T12 << 1462350757.46764112 Redistribute (0.12608s) stopped
T12 >> 1462350757.48368311 LCAO WFS Initialize (5025.16517s) started
T12 >> 1462350757.48372602 Density initialize from wavefunctions (948.20538s) started
T12 >> 1462350757.48869801 Calculate density matrix (653.60341s) started
T12 << 1462350767.33321404 Calculate density matrix (663.44792s) stopped
T12 >> 1462350767.33327103 Construct density (50.16573s) started
T12 << 1462350768.12052393 Construct density (50.95298s) stopped
T12 >> 1462350768.13448906 Symmetrize density (0.00545s) started
T12 << 1462350768.13456607 Symmetrize density (0.00553s) stopped
T12 << 1462350771.99485111 Density initialize from wavefunctions (962.71650s) stopped
T12 >> 1462350771.99516296 Hamiltonian (4076.02507s) started
T12 >> 1462350771.99518299 vbar (1.86357s) started
T12 << 1462350772.01954007 vbar (1.88792s) stopped
T12 >> 1462350772.01960397 XC 3D grid (1905.46213s) started
T12 >> 1462350772.51392889 van der Waals (1840.64067s) started
T12 >> 1462350772.62518907 semilocal (387.96747s) started
T12 << 1462350778.40787792 semilocal (393.75016s) stopped
T12 >> 1462350778.49222898 redistribute (206.94200s) started
T12 << 1462350779.48891497 redistribute (207.93868s) stopped
T12 >> 1462350779.48897600 libvdwxc nonlocal (1232.89870s) started
T12 << 1462350797.35744810 libvdwxc nonlocal (1250.76717s) stopped
T12 >> 1462350797.35753107 redistribute (207.93872s) started
T12 << 1462350799.55391192 redistribute (210.13510s) stopped
T12 << 1462350799.55499506 van der Waals (1867.68174s) stopped
T12 << 1462350800.02058291 XC 3D grid (1933.46311s) stopped
T12 >> 1462350800.02065396 Poisson (948.72646s) started
T12 << 1462350811.47804594 Poisson (960.18385s) stopped
T12 >> 1462350811.47813797 Hartree integrate/restrict (25.03337s) started
T12 << 1462350811.51825905 Hartree integrate/restrict (25.07349s) stopped
T12 >> 1462350811.51835704 Hartree integrate/restrict (25.07355s) started
T12 << 1462350811.85278010 Hartree integrate/restrict (25.40798s) stopped
T12 >> 1462350811.85289502 Atomic (159.04826s) started
T12 >> 1462350811.85507607 XC Correction (0.00240s) started
T12 << 1462350811.85509109 XC Correction (0.00242s) stopped
T12 << 1462350814.23430610 Atomic (161.42967s) stopped
T12 >> 1462350814.23449612 Communicate (1035.83909s) started
T12 << 1462350833.23900008 Communicate (1054.84360s) stopped
T12 << 1462350833.23903799 Hamiltonian (4137.26894s) stopped
T12 << 1462350833.23905301 LCAO WFS Initialize (5100.92054s) stopped
T12 << 1462350833.25144291 Initialization (8766.72175s) stopped
T12 >> 1462350833.27801800 SCF-cycle (108153.25767s) started
T12 >> 1462350833.27805710 LCAO eigensolver (54182.41000s) started
T12 >> 1462350833.27806997 Potential matrix (806.98389s) started
T12 << 1462350834.25719404 Potential matrix (807.96301s) stopped
T12 >> 1462350834.25727606 DistributedAtomicCorrection (344.71742s) started
T12 << 1462350834.71514702 DistributedAtomicCorrection (345.17529s) stopped
T12 >> 1462350834.71519709 Distribute overlap matrix (6338.90362s) started
T12 >> 1462350834.71523309 blocked summation (3539.92568s) started
T12 << 1462350839.46531796 blocked summation (3544.67577s) stopped
T12 >> 1462350839.47517896 Scalapack redistribute (2790.86171s) started
T12 << 1462350843.11070895 Scalapack redistribute (2794.49724s) stopped
T12 << 1462350843.11082292 Distribute overlap matrix (6347.29925s) stopped
T12 >> 1462350843.11621690 Blacs Orbital Layouts (45220.36618s) started
T12 >> 1462350843.12473702 General diagonalize (45042.68887s) started
T12 << 1462350897.50077009 General diagonalize (45097.06490s) stopped
T12 >> 1462350897.50081992 Redistribute coefs (6.90956s) started
T12 << 1462350897.50954795 Redistribute coefs (6.91829s) stopped
T12 >> 1462350897.50958896 Send coefs to domains (163.20533s) started
T12 << 1462350897.77801108 Send coefs to domains (163.47375s) stopped
T12 << 1462350897.77852297 Blacs Orbital Layouts (45275.02849s) stopped
T12 >> 1462350897.77855110 Calculate projections (1467.36252s) started
T12 << 1462350899.54587793 Calculate projections (1469.12985s) stopped
T12 << 1462350899.54641199 LCAO eigensolver (54248.67835s) stopped
T12 >> 1462350902.67547989 Density (12694.12798s) started
T12 >> 1462350902.67549491 Pseudo density (9777.03050s) started
T12 >> 1462350902.67874289 Calculate density matrix (9177.99028s) started
T12 << 1462350914.71246195 Calculate density matrix (9190.02400s) stopped
T12 >> 1462350914.71251011 Construct density (583.54561s) started
T12 << 1462350915.49842811 Construct density (584.33153s) stopped
T12 >> 1462350915.51468801 Symmetrize density (0.06571s) started
T12 << 1462350915.51475501 Symmetrize density (0.06578s) stopped
T12 << 1462350915.51720810 Pseudo density (9789.87222s) stopped
T12 >> 1462350915.51726794 Atomic density matrices (2577.82663s) started
T12 << 1462350919.08535790 Atomic density matrices (2581.39472s) stopped
T12 >> 1462350919.08539009 Multipole moments (9.82761s) started
T12 << 1462350919.10195589 Multipole moments (9.84418s) stopped
T12 >> 1462350919.10197997 Normalize (5.20118s) started
T12 << 1462350919.11126304 Normalize (5.21046s) stopped
T12 >> 1462350919.11133409 Mix (324.18054s) started
T12 << 1462350919.50445890 Mix (324.57367s) stopped
T12 << 1462350919.50452089 Density (12710.95702s) stopped
T12 >> 1462350919.50454903 Hamiltonian (38645.96068s) started
T12 >> 1462350919.50456309 vbar (20.51681s) started
T12 << 1462350919.52625895 vbar (20.53851s) stopped
T12 >> 1462350919.52635789 XC 3D grid (21752.69162s) started
T12 >> 1462350920.07683706 van der Waals (21007.94989s) started
T12 >> 1462350920.18864393 semilocal (4440.00265s) started
T12 << 1462350925.90432501 semilocal (4445.71833s) stopped
T12 >> 1462350925.98062491 redistribute (2255.68416s) started
T12 << 1462350927.04391193 redistribute (2256.74744s) stopped
T12 >> 1462350927.04395509 libvdwxc nonlocal (14165.77997s) started
T12 << 1462350945.35423207 libvdwxc nonlocal (14184.09025s) stopped
T12 >> 1462350945.35429597 redistribute (2256.74748s) started
T12 << 1462350947.15423489 redistribute (2258.54742s) stopped
T12 << 1462350947.15557790 van der Waals (21035.02863s) stopped
T12 << 1462350947.60718799 XC 3D grid (21780.77245s) stopped
T12 >> 1462350947.60722804 Poisson (4483.61015s) started
T12 << 1462350953.41037393 Poisson (4489.41330s) stopped
T12 >> 1462350953.41044402 Hartree integrate/restrict (286.78184s) started
T12 << 1462350953.45426202 Hartree integrate/restrict (286.82566s) stopped
T12 >> 1462350953.45432901 Hartree integrate/restrict (286.82570s) started
T12 << 1462350953.79688692 Hartree integrate/restrict (287.16826s) stopped
T12 >> 1462350953.79696298 Atomic (1839.81203s) started
T12 >> 1462350953.79885602 XC Correction (0.02535s) started
T12 << 1462350953.79887104 XC Correction (0.02536s) stopped
T12 << 1462350956.18421793 Atomic (1842.19929s) stopped
T12 >> 1462350956.18439388 Communicate (10262.24950s) started
T12 << 1462350975.17394710 Communicate (10281.23905s) stopped
T12 << 1462350975.17398310 Hamiltonian (38701.63011s) stopped
T12 >> 1462350975.17400789 LCAO eigensolver (54248.67837s) started
T12 >> 1462350975.17402005 Potential matrix (807.96306s) started
T12 << 1462350976.15549994 Potential matrix (808.94454s) stopped
T12 >> 1462350976.15557098 DistributedAtomicCorrection (345.17533s) started
T12 << 1462350976.60207200 DistributedAtomicCorrection (345.62183s) stopped
T12 >> 1462350976.60211802 Distribute overlap matrix (6347.29926s) started
T12 >> 1462350976.60214901 blocked summation (3544.67580s) started
T12 << 1462350981.36454201 blocked summation (3549.43819s) stopped
T12 >> 1462350981.37512803 Scalapack redistribute (2794.49730s) started
T12 << 1462350985.00155306 Scalapack redistribute (2798.12372s) stopped
T12 << 1462350985.00165200 Distribute overlap matrix (6355.69880s) stopped
T12 >> 1462350985.00707293 Blacs Orbital Layouts (45275.02851s) started
T12 >> 1462350985.01594496 General diagonalize (45097.06494s) started
T12 << 1462351040.89660001 General diagonalize (45152.94560s) stopped
T12 >> 1462351040.89664793 Redistribute coefs (6.91832s) started
T12 << 1462351040.90537405 Redistribute coefs (6.92704s) stopped
T12 >> 1462351040.90541506 Send coefs to domains (163.47378s) started
T12 << 1462351041.03014207 Send coefs to domains (163.59851s) stopped
T12 << 1462351041.03052998 Blacs Orbital Layouts (45331.05197s) stopped
T12 >> 1462351041.03055811 Calculate projections (1469.12990s) started
T12 << 1462351042.79773211 Calculate projections (1470.89708s) stopped
T12 << 1462351042.79808688 LCAO eigensolver (54316.30245s) stopped
T12 >> 1462351045.92260194 Density (12710.95704s) started
T12 >> 1462351045.92261696 Pseudo density (9789.87226s) started
T12 >> 1462351045.92597890 Calculate density matrix (9190.02403s) started
T12 << 1462351057.82066703 Calculate density matrix (9201.91872s) stopped
T12 >> 1462351057.82071495 Construct density (584.33158s) started
T12 << 1462351058.60558510 Construct density (585.11645s) stopped
T12 >> 1462351058.62245202 Symmetrize density (0.06580s) started
T12 << 1462351058.62251592 Symmetrize density (0.06586s) stopped
T12 << 1462351058.62495089 Pseudo density (9802.57460s) stopped
T12 >> 1462351058.62501001 Atomic density matrices (2581.39474s) started
T12 << 1462351062.19356704 Atomic density matrices (2584.96330s) stopped
T12 >> 1462351062.19361806 Multipole moments (9.84420s) started
T12 << 1462351062.21003604 Multipole moments (9.86061s) stopped
T12 >> 1462351062.21006799 Normalize (5.21052s) started
T12 << 1462351062.21786809 Normalize (5.21832s) stopped
T12 >> 1462351062.21790791 Mix (324.57372s) started
T12 << 1462351062.58907390 Mix (324.94489s) stopped
T12 << 1462351062.58912301 Density (12727.62356s) stopped
T12 >> 1462351062.58914900 Hamiltonian (38701.63013s) started
T12 >> 1462351062.58916306 vbar (20.53857s) started
T12 << 1462351062.61290407 vbar (20.56231s) stopped
T12 >> 1462351062.61305594 XC 3D grid (21780.77248s) started
T12 >> 1462351063.11171293 van der Waals (21035.02867s) started
T12 >> 1462351063.22540593 semilocal (4445.71838s) started
T12 << 1462351068.94257307 semilocal (4451.43555s) stopped
T12 >> 1462351069.01850104 redistribute (2258.54748s) started
T12 << 1462351070.08071208 redistribute (2259.60969s) stopped
T12 >> 1462351070.08077598 libvdwxc nonlocal (14184.09030s) started
T12 << 1462351088.77737999 libvdwxc nonlocal (14202.78690s) stopped
T12 >> 1462351088.77744389 redistribute (2259.60974s) started
T12 << 1462351090.75310397 redistribute (2261.58540s) stopped
T12 << 1462351090.75483203 van der Waals (21062.67179s) stopped
T12 << 1462351091.19419193 XC 3D grid (21809.35362s) stopped
T12 >> 1462351091.19423294 Poisson (4489.41335s) started
T12 << 1462351098.51802111 Poisson (4496.73713s) stopped
T12 >> 1462351098.51815104 Hartree integrate/restrict (287.16829s) started
T12 << 1462351098.56051993 Hartree integrate/restrict (287.21066s) stopped
T12 >> 1462351098.56058002 Hartree integrate/restrict (287.21070s) started
T12 << 1462351098.88263297 Hartree integrate/restrict (287.53275s) stopped
T12 >> 1462351098.88272309 Atomic (1842.19931s) started
T12 >> 1462351098.88447690 XC Correction (0.02537s) started
T12 << 1462351098.88449192 XC Correction (0.02539s) stopped
T12 << 1462351101.30247998 Atomic (1844.61907s) stopped
T12 >> 1462351101.30266595 Communicate (10281.23908s) started
T12 << 1462351120.35843492 Communicate (10300.29485s) stopped
T12 << 1462351120.35846710 Hamiltonian (38759.39945s) stopped
T12 >> 1462351120.35848999 LCAO eigensolver (54316.30247s) started
T12 >> 1462351120.35850310 Potential matrix (808.94458s) started
T12 << 1462351121.33995008 Potential matrix (809.92603s) stopped
T12 >> 1462351121.34002209 DistributedAtomicCorrection (345.62187s) started
T12 << 1462351121.78660202 DistributedAtomicCorrection (346.06845s) stopped
T12 >> 1462351121.78664804 Distribute overlap matrix (6355.69881s) started
T12 >> 1462351121.78667808 blocked summation (3549.43823s) started
T12 << 1462351126.59556508 blocked summation (3554.24711s) stopped
T12 >> 1462351126.60552502 Scalapack redistribute (2798.12378s) started
T12 << 1462351130.17879891 Scalapack redistribute (2801.69706s) stopped
T12 << 1462351130.17890501 Distribute overlap matrix (6364.09106s) stopped
T12 >> 1462351130.18323112 Blacs Orbital Layouts (45331.05199s) started
T12 >> 1462351130.19215703 General diagonalize (45152.94563s) started
T12 << 1462351185.69410300 General diagonalize (45208.44758s) stopped
T12 >> 1462351185.69418406 Redistribute coefs (6.92708s) started
T12 << 1462351185.70279002 Redistribute coefs (6.93568s) stopped
T12 >> 1462351185.70283389 Send coefs to domains (163.59854s) started
T12 << 1462351185.78983498 Send coefs to domains (163.68554s) stopped
T12 << 1462351185.79018998 Blacs Orbital Layouts (45386.65894s) stopped
T12 >> 1462351185.79021692 Calculate projections (1470.89713s) started
T12 << 1462351187.55804491 Calculate projections (1472.66496s) stopped
T12 << 1462351187.55839610 LCAO eigensolver (54383.50238s) stopped
T12 >> 1462351190.67636395 Density (12727.62357s) started
T12 >> 1462351190.67637897 Pseudo density (9802.57465s) started
T12 >> 1462351190.67956209 Calculate density matrix (9201.91875s) started
T12 << 1462351202.49844003 Calculate density matrix (9213.73763s) stopped
T12 >> 1462351202.49848795 Construct density (585.11650s) started
T12 << 1462351203.28152895 Construct density (585.89954s) stopped
T12 >> 1462351203.29777193 Symmetrize density (0.06588s) started
T12 << 1462351203.29784107 Symmetrize density (0.06595s) stopped
T12 << 1462351203.30025291 Pseudo density (9815.19852s) stopped
T12 >> 1462351203.30031109 Atomic density matrices (2584.96334s) started
T12 << 1462351206.83393908 Atomic density matrices (2588.49697s) stopped
T12 >> 1462351206.83397102 Multipole moments (9.86063s) started
T12 << 1462351206.85041499 Multipole moments (9.87708s) stopped
T12 >> 1462351206.85044694 Normalize (5.21835s) started
T12 << 1462351206.85723400 Normalize (5.22513s) stopped
T12 >> 1462351206.85727906 Mix (324.94494s) started
T12 << 1462351207.26481700 Mix (325.35248s) stopped
T12 << 1462351207.26486611 Density (12744.21207s) stopped
T12 >> 1462351207.26489091 Hamiltonian (38759.39946s) started
T12 >> 1462351207.26490498 vbar (20.56240s) started
T12 << 1462351207.29301000 vbar (20.59050s) stopped
T12 >> 1462351207.29320502 XC 3D grid (21809.35365s) started
T12 >> 1462351207.76428008 van der Waals (21062.67186s) started
T12 >> 1462351207.88006592 semilocal (4451.43567s) started
T12 << 1462351213.65970492 semilocal (4457.21531s) stopped
T12 >> 1462351213.73346710 redistribute (2261.58547s) started
T12 << 1462351214.78095698 redistribute (2262.63296s) stopped
T12 >> 1462351214.78099990 libvdwxc nonlocal (14202.78695s) started
T12 << 1462351233.01501393 libvdwxc nonlocal (14221.02096s) stopped
T12 >> 1462351233.01507711 redistribute (2262.63299s) started
T12 << 1462351234.77958202 redistribute (2264.39749s) stopped
T12 << 1462351234.78054690 van der Waals (21089.68813s) stopped
T12 << 1462351235.23027992 XC 3D grid (21837.29072s) stopped
T12 >> 1462351235.23034000 Poisson (4496.73724s) started
T12 << 1462351242.62209606 Poisson (4504.12899s) stopped
T12 >> 1462351242.62221694 Hartree integrate/restrict (287.53280s) started
T12 << 1462351242.66673708 Hartree integrate/restrict (287.57732s) stopped
T12 >> 1462351242.66684008 Hartree integrate/restrict (287.57740s) started
T12 << 1462351242.98905206 Hartree integrate/restrict (287.89961s) stopped
T12 >> 1462351242.98914909 Atomic (1844.61909s) started
T12 >> 1462351242.99097896 XC Correction (0.02540s) started
T12 << 1462351242.99099398 XC Correction (0.02541s) stopped
T12 << 1462351245.38931203 Atomic (1847.01925s) stopped
T12 >> 1462351245.38949394 Communicate (10300.29487s) started
T12 << 1462351264.34260607 Communicate (10319.24798s) stopped
T12 << 1462351264.34264493 Hamiltonian (38816.47721s) stopped
T12 >> 1462351264.34267092 LCAO eigensolver (54383.50239s) started
T12 >> 1462351264.34268498 Potential matrix (809.92607s) started
T12 << 1462351265.32528901 Potential matrix (810.90868s) stopped
T12 >> 1462351265.32536006 DistributedAtomicCorrection (346.06849s) started
T12 << 1462351265.77894211 DistributedAtomicCorrection (346.52207s) stopped
T12 >> 1462351265.77898788 Distribute overlap matrix (6364.09108s) started
T12 >> 1462351265.77902102 blocked summation (3554.24714s) started
T12 << 1462351270.58947301 blocked summation (3559.05760s) stopped
T12 >> 1462351270.59822202 Scalapack redistribute (2801.69712s) started
T12 << 1462351274.17632794 Scalapack redistribute (2805.27523s) stopped
T12 << 1462351274.17642212 Distribute overlap matrix (6372.48851s) stopped
T12 >> 1462351274.18093395 Blacs Orbital Layouts (45386.65896s) started
T12 >> 1462351274.18996906 General diagonalize (45208.44765s) started
T12 << 1462351328.85856295 General diagonalize (45263.11624s) stopped
T12 >> 1462351328.85860801 Redistribute coefs (6.93572s) started
T12 << 1462351328.86719608 Redistribute coefs (6.94430s) stopped
T12 >> 1462351328.86723804 Send coefs to domains (163.68558s) started
T12 << 1462351328.97205710 Send coefs to domains (163.79040s) stopped
T12 << 1462351328.97238994 Blacs Orbital Layouts (45441.45042s) stopped
T12 >> 1462351328.97241807 Calculate projections (1472.66501s) started
T12 << 1462351330.73935699 Calculate projections (1474.43195s) stopped
T12 << 1462351330.73954511 LCAO eigensolver (54449.89927s) stopped
T12 >> 1462351333.85592794 Density (12744.21208s) started
T12 >> 1462351333.85596490 Pseudo density (9815.19857s) started
T12 >> 1462351333.85857105 Calculate density matrix (9213.73766s) started
T12 << 1462351345.75063205 Calculate density matrix (9225.62972s) stopped
T12 >> 1462351345.75067997 Construct density (585.89959s) started
T12 << 1462351346.53533912 Construct density (586.68425s) stopped
T12 >> 1462351346.55157495 Symmetrize density (0.06596s) started
T12 << 1462351346.55164289 Symmetrize density (0.06603s) stopped
T12 << 1462351346.55406904 Pseudo density (9827.89667s) stopped
T12 >> 1462351346.55412698 Atomic density matrices (2588.49699s) started
T12 << 1462351350.02998495 Atomic density matrices (2591.97285s) stopped
T12 >> 1462351350.03001904 Multipole moments (9.87709s) started
T12 << 1462351350.04641390 Multipole moments (9.89349s) stopped
T12 >> 1462351350.04644489 Normalize (5.22517s) started
T12 << 1462351350.05301809 Normalize (5.23174s) stopped
T12 >> 1462351350.05305791 Mix (325.35252s) started
T12 << 1462351350.45482492 Mix (325.75429s) stopped
T12 << 1462351350.45487309 Density (12760.81103s) stopped
T12 >> 1462351350.45489693 Hamiltonian (38816.47722s) started
T12 >> 1462351350.45491099 vbar (20.59061s) started
T12 << 1462351350.47893596 vbar (20.61463s) stopped
T12 >> 1462351350.47901797 XC 3D grid (21837.29077s) started
T12 >> 1462351351.01304793 van der Waals (21089.68815s) started
T12 >> 1462351351.12818789 semilocal (4457.21539s) started
T12 << 1462351356.82125092 semilocal (4462.90845s) stopped
T12 >> 1462351356.90283704 redistribute (2264.39755s) started
T12 << 1462351358.03100610 redistribute (2265.52572s) stopped
T12 >> 1462351358.03104901 libvdwxc nonlocal (14221.02101s) started
T12 << 1462351376.43411708 libvdwxc nonlocal (14239.42408s) stopped
T12 >> 1462351376.43415999 redistribute (2265.52575s) started
T12 << 1462351378.16274500 redistribute (2267.25433s) stopped
T12 << 1462351378.16370106 van der Waals (21116.83881s) stopped
T12 << 1462351378.61318111 XC 3D grid (21865.42494s) stopped
T12 >> 1462351378.61324501 Poisson (4504.12909s) started
T12 << 1462351387.31248593 Poisson (4512.82833s) stopped
T12 >> 1462351387.31258297 Hartree integrate/restrict (287.89966s) started
T12 << 1462351387.35644794 Hartree integrate/restrict (287.94353s) stopped
T12 >> 1462351387.35651708 Hartree integrate/restrict (287.94357s) started
T12 << 1462351387.68354392 Hartree integrate/restrict (288.27060s) stopped
T12 >> 1462351387.68361902 Atomic (1847.01927s) started
T12 >> 1462351387.68581510 XC Correction (0.02543s) started
T12 << 1462351387.68585300 XC Correction (0.02546s) stopped
T12 << 1462351390.09890008 Atomic (1849.43455s) stopped
T12 >> 1462351390.09907889 Communicate (10319.24800s) started
T12 << 1462351408.24772191 Communicate (10337.39665s) stopped
T12 << 1462351408.24776101 Hamiltonian (38874.27009s) stopped
T12 >> 1462351408.24779010 LCAO eigensolver (54449.89929s) started
T12 >> 1462351408.24780393 Potential matrix (810.90872s) started
T12 << 1462351409.22433805 Potential matrix (811.88525s) stopped
T12 >> 1462351409.22441101 DistributedAtomicCorrection (346.52211s) started
T12 << 1462351409.68211699 DistributedAtomicCorrection (346.97981s) stopped
T12 >> 1462351409.68217993 Distribute overlap matrix (6372.48852s) started
T12 >> 1462351409.68220210 blocked summation (3559.05763s) started
T12 << 1462351414.58102393 blocked summation (3563.95645s) stopped
T12 >> 1462351414.59048796 Scalapack redistribute (2805.27528s) started
T12 << 1462351418.03723693 Scalapack redistribute (2808.72203s) stopped
T12 << 1462351418.03734398 Distribute overlap matrix (6380.84369s) stopped
T12 >> 1462351418.04200196 Blacs Orbital Layouts (45441.45044s) started
T12 >> 1462351418.05079794 General diagonalize (45263.11628s) started
T12 << 1462351474.07568693 General diagonalize (45319.14117s) stopped
T12 >> 1462351474.07573199 Redistribute coefs (6.94434s) started
T12 << 1462351474.08417511 Redistribute coefs (6.95278s) stopped
T12 >> 1462351474.08421993 Send coefs to domains (163.79043s) started
T12 << 1462351474.20745397 Send coefs to domains (163.91367s) stopped
T12 << 1462351474.20786190 Blacs Orbital Layouts (45497.61630s) stopped
T12 >> 1462351474.20789194 Calculate projections (1474.43199s) started
T12 << 1462351475.97529292 Calculate projections (1476.19940s) stopped
T12 << 1462351475.97547889 LCAO eigensolver (54517.62698s) stopped
T12 >> 1462351479.10217190 Density (12760.81104s) started
T12 >> 1462351479.10218811 Pseudo density (9827.89672s) started
T12 >> 1462351479.10471702 Calculate density matrix (9225.62975s) started
T12 << 1462351492.31075597 Calculate density matrix (9238.83579s) stopped
T12 >> 1462351492.31080794 Construct density (586.68430s) started
T12 << 1462351493.09533501 Construct density (587.46883s) stopped
T12 >> 1462351493.11160398 Symmetrize density (0.06605s) started
T12 << 1462351493.11167002 Symmetrize density (0.06611s) stopped
T12 << 1462351493.11409712 Pseudo density (9841.90863s) stopped
T12 >> 1462351493.11415601 Atomic density matrices (2591.97288s) started
T12 << 1462351496.62972093 Atomic density matrices (2595.48844s) stopped
T12 >> 1462351496.62975502 Multipole moments (9.89350s) started
T12 << 1462351496.64607000 Multipole moments (9.90982s) stopped
T12 >> 1462351496.64610410 Normalize (5.23177s) started
T12 << 1462351496.65289497 Normalize (5.23856s) stopped
T12 >> 1462351496.65294409 Mix (325.75434s) started
T12 << 1462351497.09452510 Mix (326.19592s) stopped
T12 << 1462351497.09457588 Density (12778.80345s) stopped
T12 >> 1462351497.09460402 Hamiltonian (38874.27010s) started
T12 >> 1462351497.09461808 vbar (20.61468s) started
T12 << 1462351497.12844801 vbar (20.64851s) stopped
T12 >> 1462351497.12860298 XC 3D grid (21865.42499s) started
T12 >> 1462351497.60626006 van der Waals (21116.83883s) started
T12 >> 1462351497.72058511 semilocal (4462.90858s) started
T12 << 1462351503.54496288 semilocal (4468.73296s) stopped
T12 >> 1462351503.61900091 redistribute (2267.25440s) started
T12 << 1462351504.61125994 redistribute (2268.24666s) stopped
T12 >> 1462351504.61134195 libvdwxc nonlocal (14239.42411s) started
T12 << 1462351523.29794598 libvdwxc nonlocal (14258.11071s) stopped
T12 >> 1462351523.29799199 redistribute (2268.24672s) started
T12 << 1462351525.02353191 redistribute (2269.97226s) stopped
T12 << 1462351525.02482009 van der Waals (21144.25739s) stopped
T12 << 1462351525.46846390 XC 3D grid (21893.76485s) stopped
T12 >> 1462351525.46850491 Poisson (4512.82840s) started
T12 << 1462351529.90009689 Poisson (4517.25999s) stopped
T12 >> 1462351529.90015793 Hartree integrate/restrict (288.27063s) started
T12 << 1462351529.95062494 Hartree integrate/restrict (288.32110s) stopped
T12 >> 1462351529.95067191 Hartree integrate/restrict (288.32113s) started
T12 << 1462351530.30657506 Hartree integrate/restrict (288.67703s) stopped
T12 >> 1462351530.30667400 Atomic (1849.43458s) started
T12 >> 1462351530.30847406 XC Correction (0.02548s) started
T12 << 1462351530.30849004 XC Correction (0.02550s) stopped
T12 << 1462351532.68659997 Atomic (1851.81450s) stopped
T12 >> 1462351532.68677497 Communicate (10337.39667s) started
T12 << 1462351550.14461994 Communicate (10354.85452s) stopped
T12 << 1462351550.14465690 Hamiltonian (38927.32015s) stopped
T12 >> 1462351550.14468193 LCAO eigensolver (54517.62700s) started
T12 >> 1462351550.14469504 Potential matrix (811.88530s) started
T12 << 1462351551.11516905 Potential matrix (812.85577s) stopped
T12 >> 1462351551.11524105 DistributedAtomicCorrection (346.97985s) started
T12 << 1462351551.56975198 DistributedAtomicCorrection (347.43436s) stopped
T12 >> 1462351551.56981897 Distribute overlap matrix (6380.84370s) started
T12 >> 1462351551.56984091 blocked summation (3563.95649s) started
T12 << 1462351556.40981007 blocked summation (3568.79645s) stopped
T12 >> 1462351556.41950297 Scalapack redistribute (2808.72210s) started
T12 << 1462351559.97536397 Scalapack redistribute (2812.27796s) stopped
T12 << 1462351559.97546601 Distribute overlap matrix (6389.24935s) stopped
T12 >> 1462351559.98008895 Blacs Orbital Layouts (45497.61632s) started
T12 >> 1462351559.98889399 General diagonalize (45319.14120s) started
T12 << 1462351615.11801910 General diagonalize (45374.27033s) stopped
T12 >> 1462351615.11806512 Redistribute coefs (6.95281s) started
T12 << 1462351615.12653589 Redistribute coefs (6.96128s) stopped
T12 >> 1462351615.12657809 Send coefs to domains (163.91370s) started
T12 << 1462351615.26110697 Send coefs to domains (164.04823s) stopped
T12 << 1462351615.26147890 Blacs Orbital Layouts (45552.89771s) stopped
T12 >> 1462351615.26150894 Calculate projections (1476.19945s) started
T12 << 1462351617.02997088 Calculate projections (1477.96791s) stopped
T12 << 1462351617.03034091 LCAO eigensolver (54584.51265s) stopped
T12 >> 1462351620.13594794 Density (12778.80346s) started
T12 >> 1462351620.13596392 Pseudo density (9841.90867s) started
T12 >> 1462351620.13884497 Calculate density matrix (9238.83583s) started
T12 << 1462351632.14882112 Calculate density matrix (9250.84580s) stopped
T12 >> 1462351632.14886999 Construct density (587.46888s) started
T12 << 1462351632.93453503 Construct density (588.25455s) stopped
T12 >> 1462351632.95138311 Symmetrize density (0.06613s) started
T12 << 1462351632.95144010 Symmetrize density (0.06619s) stopped
T12 << 1462351632.95385909 Pseudo density (9854.72657s) stopped
T12 >> 1462351632.95391607 Atomic density matrices (2595.48847s) started
T12 << 1462351636.41804409 Atomic density matrices (2598.95259s) stopped
T12 >> 1462351636.41807795 Multipole moments (9.90984s) started
T12 << 1462351636.43348193 Multipole moments (9.92524s) stopped
T12 >> 1462351636.43351507 Normalize (5.23859s) started
T12 << 1462351636.44029498 Normalize (5.24537s) stopped
T12 >> 1462351636.44033408 Mix (326.19597s) started
T12 << 1462351636.88507009 Mix (326.64071s) stopped
T12 << 1462351636.88511992 Density (12795.55263s) stopped
T12 >> 1462351636.88514495 Hamiltonian (38927.32017s) started
T12 >> 1462351636.88515902 vbar (20.64860s) started
T12 << 1462351636.91186905 vbar (20.67531s) stopped
T12 >> 1462351636.91200590 XC 3D grid (21893.76488s) started
T12 >> 1462351637.40813088 van der Waals (21144.25742s) started
T12 >> 1462351637.52038193 semilocal (4468.73305s) started
T12 << 1462351643.28949904 semilocal (4474.50217s) stopped
T12 >> 1462351643.36211610 redistribute (2269.97230s) started
T12 << 1462351644.40003300 redistribute (2271.01021s) stopped
T12 >> 1462351644.40009904 libvdwxc nonlocal (14258.11075s) started
T12 << 1462351663.02972102 libvdwxc nonlocal (14276.74037s) stopped
T12 >> 1462351663.02979898 redistribute (2271.01027s) started
T12 << 1462351664.74287605 redistribute (2272.72334s) stopped
T12 << 1462351664.74428296 van der Waals (21171.59357s) stopped
T12 << 1462351665.18694711 XC 3D grid (21922.03982s) stopped
T12 >> 1462351665.18700910 Poisson (4517.26004s) started
T12 << 1462351669.60237694 Poisson (4521.67541s) stopped
T12 >> 1462351669.60249996 Hartree integrate/restrict (288.67708s) started
T12 << 1462351669.65222502 Hartree integrate/restrict (288.72680s) stopped
T12 >> 1462351669.65229511 Hartree integrate/restrict (288.72685s) started
T12 << 1462351669.96332598 Hartree integrate/restrict (289.03788s) stopped
T12 >> 1462351669.96341205 Atomic (1851.81452s) started
T12 >> 1462351669.96523309 XC Correction (0.02551s) started
T12 << 1462351669.96525908 XC Correction (0.02553s) stopped
T12 << 1462351672.37456489 Atomic (1854.22568s) stopped
T12 >> 1462351672.37473607 Communicate (10354.85454s) started
T12 << 1462351689.88420796 Communicate (10372.36402s) stopped
T12 << 1462351689.88424706 Hamiltonian (38980.31927s) stopped
T12 >> 1462351689.88427210 LCAO eigensolver (54584.51267s) started
T12 >> 1462351689.88428497 Potential matrix (812.85581s) started
T12 << 1462351690.86956310 Potential matrix (813.84109s) stopped
T12 >> 1462351690.86963391 DistributedAtomicCorrection (347.43440s) started
T12 << 1462351691.31752610 DistributedAtomicCorrection (347.88230s) stopped
T12 >> 1462351691.31758499 Distribute overlap matrix (6389.24936s) started
T12 >> 1462351691.31760693 blocked summation (3568.79648s) started
T12 << 1462351696.10577393 blocked summation (3573.58465s) stopped
T12 >> 1462351696.11546111 Scalapack redistribute (2812.27802s) started
T12 << 1462351699.58762598 Scalapack redistribute (2815.75019s) stopped
T12 << 1462351699.58771801 Distribute overlap matrix (6397.51949s) stopped
T12 >> 1462351699.59235811 Blacs Orbital Layouts (45552.89773s) started
T12 >> 1462351699.60139108 General diagonalize (45374.27037s) started
T12 << 1462351752.97488594 General diagonalize (45427.64386s) stopped
T12 >> 1462351752.97493196 Redistribute coefs (6.96131s) started
T12 << 1462351752.98334503 Redistribute coefs (6.96973s) stopped
T12 >> 1462351752.98340988 Send coefs to domains (164.04826s) started
T12 << 1462351753.07012391 Send coefs to domains (164.13497s) stopped
T12 << 1462351753.07058311 Blacs Orbital Layouts (45606.37595s) stopped
T12 >> 1462351753.07061291 Calculate projections (1477.96796s) started
T12 << 1462351754.84029889 Calculate projections (1479.73764s) stopped
T12 << 1462351754.84067297 LCAO eigensolver (54649.46907s) stopped
T12 >> 1462351757.95039511 Density (12795.55264s) started
T12 >> 1462351757.95040989 Pseudo density (9854.72661s) started
T12 >> 1462351757.95311403 Calculate density matrix (9250.84583s) started
T12 << 1462351769.82500601 Calculate density matrix (9262.71773s) stopped
T12 >> 1462351769.82505298 Construct density (588.25460s) started
T12 << 1462351770.60970998 Construct density (589.03926s) stopped
T12 >> 1462351770.62619209 Symmetrize density (0.06620s) started
T12 << 1462351770.62625289 Symmetrize density (0.06626s) stopped
T12 << 1462351770.62865210 Pseudo density (9867.40486s) stopped
T12 >> 1462351770.62870502 Atomic density matrices (2598.95262s) started
T12 << 1462351774.15777302 Atomic density matrices (2602.48169s) stopped
T12 >> 1462351774.15780997 Multipole moments (9.92526s) started
T12 << 1462351774.17418694 Multipole moments (9.94163s) stopped
T12 >> 1462351774.17421889 Normalize (5.24540s) started
T12 << 1462351774.18105197 Normalize (5.25223s) stopped
T12 >> 1462351774.18109202 Mix (326.64075s) started
T12 << 1462351774.60889602 Mix (327.06856s) stopped
T12 << 1462351774.60894108 Density (12812.21119s) stopped
T12 >> 1462351774.60896492 Hamiltonian (38980.31928s) started
T12 >> 1462351774.60897899 vbar (20.67539s) started
T12 << 1462351774.63383007 vbar (20.70024s) stopped
T12 >> 1462351774.63399792 XC 3D grid (21922.03988s) started
T12 >> 1462351775.12425208 van der Waals (21171.59361s) started
T12 >> 1462351775.23842597 semilocal (4474.50229s) started
T12 << 1462351780.94823098 semilocal (4480.21209s) stopped
T12 >> 1462351781.02010989 redistribute (2272.72342s) started
T12 << 1462351782.07452297 redistribute (2273.77783s) stopped
T12 >> 1462351782.07456708 libvdwxc nonlocal (14276.74042s) started
T12 << 1462351800.40553403 libvdwxc nonlocal (14295.07139s) stopped
T12 >> 1462351800.40559793 redistribute (2273.77786s) started
T12 << 1462351802.22103190 redistribute (2275.59330s) stopped
T12 << 1462351802.22246504 van der Waals (21198.69182s) stopped
T12 << 1462351802.65982604 XC 3D grid (21950.06570s) stopped
T12 >> 1462351802.65986800 Poisson (4521.67550s) started
T12 << 1462351807.05504107 Poisson (4526.07067s) stopped
T12 >> 1462351807.05511403 Hartree integrate/restrict (289.03793s) started
T12 << 1462351807.10020304 Hartree integrate/restrict (289.08302s) stopped
T12 >> 1462351807.10025096 Hartree integrate/restrict (289.08305s) started
T12 << 1462351807.47685289 Hartree integrate/restrict (289.45965s) stopped
T12 >> 1462351807.47696805 Atomic (1854.22570s) started
T12 >> 1462351807.47891498 XC Correction (0.02554s) started
T12 << 1462351807.47893190 XC Correction (0.02556s) stopped
T12 << 1462351809.88318610 Atomic (1856.63192s) stopped
T12 >> 1462351809.88337708 Communicate (10372.36404s) started
T12 << 1462351827.39147496 Communicate (10389.87214s) stopped
T12 << 1462351827.39151907 Hamiltonian (39033.10184s) stopped
T12 >> 1462351827.39154696 LCAO eigensolver (54649.46909s) started
T12 >> 1462351827.39156103 Potential matrix (813.84113s) started
T12 << 1462351828.37365508 Potential matrix (814.82323s) stopped
T12 >> 1462351828.37375093 DistributedAtomicCorrection (347.88233s) started
T12 << 1462351828.83820105 DistributedAtomicCorrection (348.34678s) stopped
T12 >> 1462351828.83827305 Distribute overlap matrix (6397.51950s) started
T12 >> 1462351828.83829904 blocked summation (3573.58469s) started
T12 << 1462351833.77495408 blocked summation (3578.52134s) stopped
T12 >> 1462351833.78524995 Scalapack redistribute (2815.75024s) started
T12 << 1462351837.16244602 Scalapack redistribute (2819.12744s) stopped
T12 << 1462351837.16255593 Distribute overlap matrix (6405.84379s) stopped
T12 >> 1462351837.16705704 Blacs Orbital Layouts (45606.37597s) started
T12 >> 1462351837.17558002 General diagonalize (45427.64390s) started
T12 << 1462351893.14716291 General diagonalize (45483.61548s) stopped
T12 >> 1462351893.14721608 Redistribute coefs (6.96978s) started
T12 << 1462351893.15617800 Redistribute coefs (6.97874s) stopped
T12 >> 1462351893.15622711 Send coefs to domains (164.13501s) started
T12 << 1462351893.28058195 Send coefs to domains (164.25936s) stopped
T12 << 1462351893.28096795 Blacs Orbital Layouts (45662.48988s) stopped
T12 >> 1462351893.28100300 Calculate projections (1479.73770s) started
T12 << 1462351895.06136799 Calculate projections (1481.51806s) stopped
T12 << 1462351895.06175900 LCAO eigensolver (54717.13930s) stopped
T12 >> 1462351898.14667797 Density (12812.21120s) started
T12 >> 1462351898.14669490 Pseudo density (9867.40490s) started
T12 >> 1462351898.14922810 Calculate density matrix (9262.71776s) started
T12 << 1462351910.00521708 Calculate density matrix (9274.57375s) stopped
T12 >> 1462351910.00527406 Construct density (589.03931s) started
T12 << 1462351910.79233694 Construct density (589.82637s) stopped
T12 >> 1462351910.80718899 Symmetrize density (0.06628s) started
T12 << 1462351910.80726290 Symmetrize density (0.06636s) stopped
T12 << 1462351910.80937099 Pseudo density (9880.06758s) stopped
T12 >> 1462351910.80944109 Atomic density matrices (2602.48172s) started
T12 << 1462351914.41138291 Atomic density matrices (2606.08366s) stopped
T12 >> 1462351914.41142201 Multipole moments (9.94165s) started
T12 << 1462351914.42774510 Multipole moments (9.95797s) stopped
T12 >> 1462351914.42778111 Normalize (5.25226s) started
T12 << 1462351914.43397498 Normalize (5.25846s) stopped
T12 >> 1462351914.43405890 Mix (327.06860s) started
T12 << 1462351914.83946896 Mix (327.47401s) stopped
T12 << 1462351914.83955312 Density (12828.90408s) stopped
T12 >> 1462351914.83959103 Hamiltonian (39033.10185s) started
T12 >> 1462351914.83960891 vbar (20.70033s) started
T12 << 1462351914.87430811 vbar (20.73503s) stopped
T12 >> 1462351914.87442207 XC 3D grid (21950.06574s) started
T12 >> 1462351915.41270208 van der Waals (21198.69187s) started
T12 >> 1462351915.52176499 semilocal (4480.21220s) started
T12 << 1462351921.36846805 semilocal (4486.05890s) stopped
T12 >> 1462351921.44879508 redistribute (2275.59335s) started
T12 << 1462351922.42682791 redistribute (2276.57138s) stopped
T12 >> 1462351922.42687798 libvdwxc nonlocal (14295.07143s) started
T12 << 1462351940.66044903 libvdwxc nonlocal (14313.30501s) stopped
T12 >> 1462351940.66053295 redistribute (2276.57142s) started
T12 << 1462351942.86418295 redistribute (2278.77507s) stopped
T12 << 1462351942.86533999 van der Waals (21226.14450s) stopped
T12 << 1462351943.32229209 XC 3D grid (21978.51361s) stopped
T12 >> 1462351943.32233906 Poisson (4526.07073s) started
T12 << 1462351947.75528598 Poisson (4530.50368s) stopped
T12 >> 1462351947.75543499 Hartree integrate/restrict (289.45971s) started
T12 << 1462351947.79275799 Hartree integrate/restrict (289.49703s) stopped
T12 >> 1462351947.79285693 Hartree integrate/restrict (289.49710s) started
T12 << 1462351948.13786697 Hartree integrate/restrict (289.84211s) stopped
T12 >> 1462351948.13796496 Atomic (1856.63194s) started
T12 >> 1462351948.13982201 XC Correction (0.02557s) started
T12 << 1462351948.13983703 XC Correction (0.02558s) stopped
T12 << 1462351950.55913401 Atomic (1859.05311s) stopped
T12 >> 1462351950.55931711 Communicate (10389.87217s) started
T12 << 1462351968.06985998 Communicate (10407.38271s) stopped
T12 << 1462351968.06989193 Hamiltonian (39086.33215s) stopped
T12 >> 1462351968.06991506 LCAO eigensolver (54717.13932s) started
T12 >> 1462351968.06992793 Potential matrix (814.82328s) started
T12 << 1462351969.03706193 Potential matrix (815.79041s) stopped
T12 >> 1462351969.03714204 DistributedAtomicCorrection (348.34682s) started
T12 << 1462351969.50203705 DistributedAtomicCorrection (348.81172s) stopped
T12 >> 1462351969.50210690 Distribute overlap matrix (6405.84380s) started
T12 >> 1462351969.50213194 blocked summation (3578.52138s) started
T12 << 1462351974.42319202 blocked summation (3583.44244s) stopped
T12 >> 1462351974.43312001 Scalapack redistribute (2819.12750s) started
T12 << 1462351977.84781909 Scalapack redistribute (2822.54220s) stopped
T12 << 1462351977.84795809 Distribute overlap matrix (6414.18965s) stopped
T12 >> 1462351977.85237098 Blacs Orbital Layouts (45662.48990s) started
T12 >> 1462351977.86087990 General diagonalize (45483.61553s) started
T12 << 1462352033.90496898 General diagonalize (45539.65962s) stopped
T12 >> 1462352033.90504408 Redistribute coefs (6.97878s) started
T12 << 1462352033.91417289 Redistribute coefs (6.98791s) stopped
T12 >> 1462352033.91422009 Send coefs to domains (164.25940s) started
T12 << 1462352034.07363892 Send coefs to domains (164.41882s) stopped
T12 << 1462352034.07395411 Blacs Orbital Layouts (45718.71149s) stopped
T12 >> 1462352034.07398891 Calculate projections (1481.51812s) started
T12 << 1462352035.85720992 Calculate projections (1483.30134s) stopped
T12 << 1462352035.85760593 LCAO eigensolver (54784.92701s) stopped
T12 >> 1462352038.94899702 Density (12828.90409s) started
T12 >> 1462352038.94901490 Pseudo density (9880.06763s) started
T12 >> 1462352038.95126104 Calculate density matrix (9274.57379s) started
T12 << 1462352050.96775103 Calculate density matrix (9286.59028s) stopped
T12 >> 1462352050.96780801 Construct density (589.82642s) started
T12 << 1462352051.75677299 Construct density (590.61539s) stopped
T12 >> 1462352051.77160692 Symmetrize density (0.06638s) started
T12 << 1462352051.77167797 Symmetrize density (0.06645s) stopped
T12 << 1462352051.77377892 Pseudo density (9892.89240s) stopped
T12 >> 1462352051.77384496 Atomic density matrices (2606.08369s) started
T12 << 1462352055.35060406 Atomic density matrices (2609.66045s) stopped
T12 >> 1462352055.35064292 Multipole moments (9.95799s) started
T12 << 1462352055.36701989 Multipole moments (9.97437s) stopped
T12 >> 1462352055.36705589 Normalize (5.25852s) started
T12 << 1462352055.37325001 Normalize (5.26471s) stopped
T12 >> 1462352055.37332797 Mix (327.47409s) started
T12 << 1462352055.81167698 Mix (327.91244s) stopped
T12 << 1462352055.81172109 Density (12845.76682s) stopped
T12 >> 1462352055.81174707 Hamiltonian (39086.33216s) started
T12 >> 1462352055.81176209 vbar (20.73510s) started
T12 << 1462352055.83703089 vbar (20.76037s) stopped
T12 >> 1462352055.83718896 XC 3D grid (21978.51364s) started
T12 >> 1462352056.33902693 van der Waals (21226.14454s) started
T12 >> 1462352056.45152998 semilocal (4486.05902s) started
T12 << 1462352062.27755189 semilocal (4491.88504s) stopped
T12 >> 1462352062.35582304 redistribute (2278.77511s) started
T12 << 1462352063.34220695 redistribute (2279.76150s) stopped
T12 >> 1462352063.34225702 libvdwxc nonlocal (14313.30507s) started
T12 << 1462352081.63785505 libvdwxc nonlocal (14331.60067s) stopped
T12 >> 1462352081.63793898 redistribute (2279.76154s) started
T12 << 1462352083.71468496 redistribute (2281.83828s) stopped
T12 << 1462352083.71578503 van der Waals (21253.52130s) stopped
T12 << 1462352084.16686392 XC 3D grid (22006.84332s) stopped
T12 >> 1462352084.16692710 Poisson (4530.50379s) started
T12 << 1462352087.10866904 Poisson (4533.44553s) stopped
T12 >> 1462352087.10883594 Hartree integrate/restrict (289.84216s) started
T12 << 1462352087.14735293 Hartree integrate/restrict (289.88068s) stopped
T12 >> 1462352087.14745808 Hartree integrate/restrict (289.88074s) started
T12 << 1462352087.47325206 Hartree integrate/restrict (290.20654s) stopped
T12 >> 1462352087.47339296 Atomic (1859.05314s) started
T12 >> 1462352087.47533989 XC Correction (0.02560s) started
T12 << 1462352087.47535706 XC Correction (0.02561s) stopped
T12 << 1462352089.89071202 Atomic (1861.47046s) stopped
T12 >> 1462352089.89089704 Communicate (10407.38273s) started
T12 << 1462352107.56233692 Communicate (10425.05417s) stopped
T12 << 1462352107.56237602 Hamiltonian (39138.08279s) stopped
T12 >> 1462352107.56240296 LCAO eigensolver (54784.92703s) started
T12 >> 1462352107.56241608 Potential matrix (815.79046s) started
T12 << 1462352108.53915691 Potential matrix (816.76720s) stopped
T12 >> 1462352108.53925490 DistributedAtomicCorrection (348.81176s) started
T12 << 1462352108.99961996 DistributedAtomicCorrection (349.27212s) stopped
T12 >> 1462352108.99968910 Distribute overlap matrix (6414.18967s) started
T12 >> 1462352108.99971390 blocked summation (3583.44247s) started
T12 << 1462352113.90040898 blocked summation (3588.34317s) stopped
T12 >> 1462352113.90980101 Scalapack redistribute (2822.54228s) started
T12 << 1462352117.34290099 Scalapack redistribute (2825.97538s) stopped
T12 << 1462352117.34300303 Distribute overlap matrix (6422.53298s) stopped
T12 >> 1462352117.34782600 Blacs Orbital Layouts (45718.71151s) started
T12 >> 1462352117.35646605 General diagonalize (45539.65968s) started
T12 << 1462352173.93344212 General diagonalize (45596.23665s) stopped
T12 >> 1462352173.93349600 Redistribute coefs (6.98794s) started
T12 << 1462352173.94241691 Redistribute coefs (6.99687s) stopped
T12 >> 1462352173.94246602 Send coefs to domains (164.41886s) started
T12 << 1462352174.05339789 Send coefs to domains (164.52979s) stopped
T12 << 1462352174.05380297 Blacs Orbital Layouts (45775.41749s) stopped
T12 >> 1462352174.05384207 Calculate projections (1483.30139s) started
T12 << 1462352175.83407402 Calculate projections (1485.08162s) stopped
T12 << 1462352175.83446193 LCAO eigensolver (54853.19909s) stopped
T12 << 1462352178.92611694 SCF-cycle (109498.90577s) stopped
T12 >> 1462352181.21854091 Force calculation (5228.38482s) started
T12 >> 1462352181.21863604 LCAO forces (5171.92585s) started
T12 >> 1462352181.21903205 Initial (0.00149s) started
T12 << 1462352181.21904397 Initial (0.00150s) stopped
T12 >> 1462352181.22581697 Get density matrix (2685.19606s) started
T12 << 1462352190.40363193 Get density matrix (2694.37388s) stopped
T12 >> 1462352190.40368104 Potential (406.83685s) started
T12 << 1462352196.70168805 Potential (413.13486s) stopped
T12 >> 1462352196.70175600 Get density matrix (2694.37391s) started
T12 << 1462352228.64524794 Get density matrix (2726.31741s) stopped
T12 >> 1462352228.64531708 Prepare TCI loop (144.98915s) started
T12 >> 1462352228.64588904 Get neighbors (128.88427s) started
T12 << 1462352230.76126003 Get neighbors (130.99964s) stopped
T12 >> 1462352230.76248193 broadcast dH (16.02615s) started
T12 << 1462352230.97838593 broadcast dH (16.24205s) stopped
T12 << 1462352230.97843504 Prepare TCI loop (147.32227s) stopped
T12 >> 1462352230.97845507 Not so complicated loop (7.88633s) started
T12 << 1462352231.10394311 Not so complicated loop (8.01182s) stopped
T12 >> 1462352231.23080707 Complicated loop (1252.80158s) started
T12 << 1462352251.33937693 Complicated loop (1272.91015s) stopped
T12 >> 1462352251.34219193 Wait for sum (665.64319s) started
T12 << 1462352262.50584006 Wait for sum (676.80683s) stopped
T12 << 1462352262.50588393 LCAO forces (5253.21310s) stopped
T12 << 1462352263.41091609 Force calculation (5310.57719s) stopped
T12 >> 1462352263.42900205 Initialization (8766.72177s) started
T12 << 1462352263.42917705 Initialization (8766.72195s) stopped
T12 >> 1462352263.42942810 Initialization (8766.72196s) started
T12 << 1462352263.42956591 Initialization (8766.72210s) stopped
T12 >> 1462352263.42970610 Initialization (8766.72211s) started
T12 << 1462352263.42984605 Initialization (8766.72225s) stopped
T12 >> 1462352283.69694710 Initialization (8766.72228s) started
T12 >> 1462352283.84682894 Basic WFS set positions (5.94791s) started
T12 >> 1462352283.84685612 Redistribute (0.01662s) started
T12 << 1462352283.85018802 Redistribute (0.01995s) stopped
T12 << 1462352283.93987989 Basic WFS set positions (6.04096s) stopped
T12 >> 1462352283.93990993 Basis functions set positions (125.57217s) started
T12 << 1462352285.92815590 Basis functions set positions (127.56042s) stopped
T12 >> 1462352285.92878604 TCI: Calculate S, T, P (1036.06088s) started
T12 << 1462352301.90681911 TCI: Calculate S, T, P (1052.03891s) stopped
T12 >> 1462352301.90687799 blocked summation (1741.66897s) started
T12 << 1462352334.78498793 blocked summation (1774.54708s) stopped
T12 >> 1462352334.79481697 Scalapack redistribute (625.12457s) started
T12 << 1462352345.04522204 Scalapack redistribute (635.37498s) stopped
T12 >> 1462352345.04640198 blocked summation (1774.54713s) started
T12 << 1462352346.04100394 blocked summation (1775.54173s) stopped
T12 >> 1462352346.05054688 Scalapack redistribute (635.37505s) started
T12 << 1462352346.39874506 Scalapack redistribute (635.72324s) stopped
T12 >> 1462352346.40085602 Redistribute (0.12610s) started
T12 << 1462352346.40152597 Redistribute (0.12677s) stopped
T12 >> 1462352348.15802598 Redistribute (0.12679s) started
T12 << 1462352348.15850806 Redistribute (0.12727s) stopped
T12 >> 1462352348.17900395 LCAO WFS Initialize (5100.92056s) started
T12 >> 1462352348.17905092 Density initialize from wavefunctions (962.71654s) started
T12 >> 1462352348.18422103 Calculate density matrix (663.44796s) started
T12 << 1462352358.08647394 Calculate density matrix (673.35021s) stopped
T12 >> 1462352358.08653092 Construct density (50.95304s) started
T12 << 1462352358.87100005 Construct density (51.73751s) stopped
T12 >> 1462352358.88516808 Symmetrize density (0.00555s) started
T12 << 1462352358.88524604 Symmetrize density (0.00562s) stopped
T12 << 1462352362.72208810 Density initialize from wavefunctions (977.25957s) stopped
T12 >> 1462352362.72244596 Hamiltonian (4137.26895s) started
T12 >> 1462352362.72246408 vbar (1.88796s) started
T12 << 1462352362.74835396 vbar (1.91385s) stopped
T12 >> 1462352362.74845695 XC 3D grid (1933.46317s) started
T12 >> 1462352363.26190495 van der Waals (1867.68177s) started
T12 >> 1462352363.37218404 semilocal (393.75025s) started
T12 << 1462352369.19538093 semilocal (399.57345s) stopped
T12 >> 1462352369.26827502 redistribute (210.13517s) started
T12 << 1462352370.23289800 redistribute (211.09979s) stopped
T12 >> 1462352370.23294091 libvdwxc nonlocal (1250.76724s) started
T12 << 1462352388.75015211 libvdwxc nonlocal (1269.28445s) stopped
T12 >> 1462352388.75021410 redistribute (211.09982s) started
T12 << 1462352390.44808292 redistribute (212.79769s) stopped
T12 << 1462352390.44912910 van der Waals (1894.86899s) stopped
T12 << 1462352390.91593790 XC 3D grid (1961.63065s) stopped
T12 >> 1462352390.91599011 Poisson (960.18392s) started
T12 << 1462352403.87876701 Poisson (973.14669s) stopped
T12 >> 1462352403.87886691 Hartree integrate/restrict (25.40804s) started
T12 << 1462352403.92453408 Hartree integrate/restrict (25.45371s) stopped
T12 >> 1462352403.92459702 Hartree integrate/restrict (25.45375s) started
T12 << 1462352404.22733688 Hartree integrate/restrict (25.75649s) stopped
T12 >> 1462352404.22742510 Atomic (161.42970s) started
T12 >> 1462352404.22935104 XC Correction (0.00243s) started
T12 << 1462352404.22936606 XC Correction (0.00245s) stopped
T12 << 1462352406.57765007 Atomic (163.77992s) stopped
T12 >> 1462352406.57781911 Communicate (1054.84362s) started
T12 << 1462352424.88886499 Communicate (1073.15467s) stopped
T12 << 1462352424.88890195 Hamiltonian (4199.43541s) stopped
T12 << 1462352424.88891697 LCAO WFS Initialize (5177.63047s) stopped
T12 << 1462352424.90108299 Initialization (8907.92641s) stopped
T12 >> 1462352424.92728901 SCF-cycle (109498.90579s) started
T12 >> 1462352424.92732501 LCAO eigensolver (54853.19911s) started
T12 >> 1462352424.92733788 Potential matrix (816.76725s) started
T12 << 1462352425.90571690 Potential matrix (817.74563s) stopped
T12 >> 1462352425.90580702 DistributedAtomicCorrection (349.27216s) started
T12 << 1462352426.34145498 DistributedAtomicCorrection (349.70781s) stopped
T12 >> 1462352426.34150195 Distribute overlap matrix (6422.53299s) started
T12 >> 1462352426.34153008 blocked summation (3588.34320s) started
T12 << 1462352431.16159892 blocked summation (3593.16327s) stopped
T12 >> 1462352431.17115903 Scalapack redistribute (2825.97544s) started
T12 << 1462352434.78075409 Scalapack redistribute (2829.58503s) stopped
T12 << 1462352434.78084397 Distribute overlap matrix (6430.97234s) stopped
T12 >> 1462352434.78532910 Blacs Orbital Layouts (45775.41751s) started
T12 >> 1462352434.79412508 General diagonalize (45596.23670s) started
T12 << 1462352491.15844798 General diagonalize (45652.60102s) stopped
T12 >> 1462352491.15849590 Redistribute coefs (6.99690s) started
T12 << 1462352491.16685510 Redistribute coefs (7.00526s) stopped
T12 >> 1462352491.16691995 Send coefs to domains (164.52983s) started
T12 << 1462352491.67242098 Send coefs to domains (165.03533s) stopped
T12 << 1462352491.67286801 Blacs Orbital Layouts (45832.30505s) stopped
T12 >> 1462352491.67289591 Calculate projections (1485.08168s) started
T12 << 1462352493.40226293 Calculate projections (1486.81104s) stopped
T12 << 1462352493.40264606 LCAO eigensolver (54921.67443s) stopped
T12 >> 1462352496.57354689 Density (12845.76683s) started
T12 >> 1462352496.57356191 Pseudo density (9892.89245s) started
T12 >> 1462352496.57683110 Calculate density matrix (9286.59031s) started
T12 << 1462352508.52065301 Calculate density matrix (9298.53414s) stopped
T12 >> 1462352508.52070189 Construct density (590.61544s) started
T12 << 1462352509.30452490 Construct density (591.39927s) stopped
T12 >> 1462352509.32090592 Symmetrize density (0.06646s) started
T12 << 1462352509.32097602 Symmetrize density (0.06653s) stopped
T12 << 1462352509.32343411 Pseudo density (9905.64232s) stopped
T12 >> 1462352509.32349300 Atomic density matrices (2609.66047s) started
T12 << 1462352512.92367506 Atomic density matrices (2613.26066s) stopped
T12 >> 1462352512.92370796 Multipole moments (9.97438s) started
T12 << 1462352512.93950510 Multipole moments (9.99018s) stopped
T12 >> 1462352512.93952990 Normalize (5.26477s) started
T12 << 1462352512.94872499 Normalize (5.27396s) stopped
T12 >> 1462352512.94878101 Mix (327.91249s) started
T12 << 1462352513.31553292 Mix (328.27924s) stopped
T12 << 1462352513.31559396 Density (12862.50888s) stopped
T12 >> 1462352513.31561995 Hamiltonian (39138.08281s) started
T12 >> 1462352513.31563497 vbar (20.76045s) started
T12 << 1462352513.34198189 vbar (20.78680s) stopped
T12 >> 1462352513.34209490 XC 3D grid (22006.84337s) started
T12 >> 1462352513.84852600 van der Waals (21253.52133s) started
T12 >> 1462352513.96427298 semilocal (4491.88513s) started
T12 << 1462352519.69139194 semilocal (4497.61225s) stopped
T12 >> 1462352519.76846409 redistribute (2281.83832s) started
T12 << 1462352520.81858397 redistribute (2282.88844s) stopped
T12 >> 1462352520.81865311 libvdwxc nonlocal (14331.60073s) started
T12 << 1462352539.18090010 libvdwxc nonlocal (14349.96298s) stopped
T12 >> 1462352539.18096209 redistribute (2282.88850s) started
T12 << 1462352540.86840200 redistribute (2284.57594s) stopped
T12 << 1462352540.86955190 van der Waals (21280.54235s) stopped
T12 << 1462352541.33304310 XC 3D grid (22034.83431s) stopped
T12 >> 1462352541.33308291 Poisson (4533.44565s) started
T12 << 1462352545.70076799 Poisson (4537.81334s) stopped
T12 >> 1462352545.70084596 Hartree integrate/restrict (290.20662s) started
T12 << 1462352545.75182509 Hartree integrate/restrict (290.25760s) stopped
T12 >> 1462352545.75188208 Hartree integrate/restrict (290.25764s) started
T12 << 1462352546.06306100 Hartree integrate/restrict (290.56882s) stopped
T12 >> 1462352546.06315088 Atomic (1861.47048s) started
T12 >> 1462352546.06501007 XC Correction (0.02563s) started
T12 << 1462352546.06502390 XC Correction (0.02564s) stopped
T12 << 1462352548.41373205 Atomic (1863.82106s) stopped
T12 >> 1462352548.41391110 Communicate (10425.05420s) started
T12 << 1462352566.71582890 Communicate (10443.35612s) stopped
T12 << 1462352566.71586895 Hamiltonian (39191.48306s) stopped
T12 >> 1462352566.71589589 LCAO eigensolver (54921.67445s) started
T12 >> 1462352566.71590900 Potential matrix (817.74569s) started
T12 << 1462352567.70119691 Potential matrix (818.73097s) stopped
T12 >> 1462352567.70127106 DistributedAtomicCorrection (349.70785s) started
T12 << 1462352568.15088701 DistributedAtomicCorrection (350.15747s) stopped
T12 >> 1462352568.15093493 Distribute overlap matrix (6430.97235s) started
T12 >> 1462352568.15096688 blocked summation (3593.16330s) started
T12 << 1462352572.98996806 blocked summation (3598.00230s) stopped
T12 >> 1462352572.99968100 Scalapack redistribute (2829.58508s) started
T12 << 1462352576.61950111 Scalapack redistribute (2833.20490s) stopped
T12 << 1462352576.61959791 Distribute overlap matrix (6439.44101s) stopped
T12 >> 1462352576.62414002 Blacs Orbital Layouts (45832.30507s) started
T12 >> 1462352576.63279295 General diagonalize (45652.60106s) started
T12 << 1462352634.55936790 General diagonalize (45710.52764s) stopped
T12 >> 1462352634.55943704 Redistribute coefs (7.00531s) started
T12 << 1462352634.56748199 Redistribute coefs (7.01336s) stopped
T12 >> 1462352634.56754589 Send coefs to domains (165.03536s) started
T12 << 1462352634.72129703 Send coefs to domains (165.18911s) stopped
T12 << 1462352634.72182703 Blacs Orbital Layouts (45890.40275s) stopped
T12 >> 1462352634.72185493 Calculate projections (1486.81109s) started
T12 << 1462352636.45265889 Calculate projections (1488.54189s) stopped
T12 << 1462352636.45304298 LCAO eigensolver (54991.41160s) stopped
T12 >> 1462352639.62219191 Density (12862.50889s) started
T12 >> 1462352639.62220693 Pseudo density (9905.64237s) started
T12 >> 1462352639.62510991 Calculate density matrix (9298.53417s) started
T12 << 1462352651.75482798 Calculate density matrix (9310.66389s) stopped
T12 >> 1462352651.75487590 Construct density (591.39932s) started
T12 << 1462352652.53694296 Construct density (592.18139s) stopped
T12 >> 1462352652.55385089 Symmetrize density (0.06655s) started
T12 << 1462352652.55391788 Symmetrize density (0.06662s) stopped
T12 << 1462352652.55635595 Pseudo density (9918.57652s) stopped
T12 >> 1462352652.55641389 Atomic density matrices (2613.26068s) started
T12 << 1462352656.18909097 Atomic density matrices (2616.89336s) stopped
T12 >> 1462352656.18912411 Multipole moments (9.99020s) started
T12 << 1462352656.20501494 Multipole moments (10.00609s) stopped
T12 >> 1462352656.20504999 Normalize (5.27400s) started
T12 << 1462352656.21187711 Normalize (5.28083s) stopped
T12 >> 1462352656.21191502 Mix (328.27930s) started
T12 << 1462352656.60032606 Mix (328.66771s) stopped
T12 << 1462352656.60035706 Density (12879.48706s) stopped
T12 >> 1462352656.60038209 Hamiltonian (39191.48307s) started
T12 >> 1462352656.60039592 vbar (20.78687s) started
T12 << 1462352656.62870598 vbar (20.81518s) stopped
T12 >> 1462352656.62885594 XC 3D grid (22034.83434s) started
T12 >> 1462352657.11707711 van der Waals (21280.54238s) started
T12 >> 1462352657.23197389 semilocal (4497.61239s) started
T12 << 1462352663.00504994 semilocal (4503.38547s) stopped
T12 >> 1462352663.08007193 redistribute (2284.57599s) started
T12 << 1462352664.10962391 redistribute (2285.60554s) stopped
T12 >> 1462352664.10966611 libvdwxc nonlocal (14349.96302s) started
T12 << 1462352682.76718497 libvdwxc nonlocal (14368.62054s) stopped
T12 >> 1462352682.76724505 redistribute (2285.60558s) started
T12 << 1462352684.52219105 redistribute (2287.36052s) stopped
T12 << 1462352684.52331591 van der Waals (21307.94862s) stopped
T12 << 1462352684.98795605 XC 3D grid (22063.19344s) stopped
T12 >> 1462352684.98799896 Poisson (4537.81339s) started
T12 << 1462352696.43621111 Poisson (4549.26161s) stopped
T12 >> 1462352696.43628597 Hartree integrate/restrict (290.56886s) started
T12 << 1462352696.48016691 Hartree integrate/restrict (290.61274s) stopped
T12 >> 1462352696.48024511 Hartree integrate/restrict (290.61280s) started
T12 << 1462352696.83251810 Hartree integrate/restrict (290.96507s) stopped
T12 >> 1462352696.83259511 Atomic (1863.82109s) started
T12 >> 1462352696.83433890 XC Correction (0.02565s) started
T12 << 1462352696.83435512 XC Correction (0.02567s) stopped
T12 << 1462352699.19513607 Atomic (1866.18363s) stopped
T12 >> 1462352699.19531798 Communicate (10443.35614s) started
T12 << 1462352717.53408194 Communicate (10461.69491s) stopped
T12 << 1462352717.53412294 Hamiltonian (39252.41681s) stopped
T12 >> 1462352717.53414798 LCAO eigensolver (54991.41162s) started
T12 >> 1462352717.53416204 Potential matrix (818.73102s) started
T12 << 1462352718.51116991 Potential matrix (819.70803s) stopped
T12 >> 1462352718.51124310 DistributedAtomicCorrection (350.15751s) started
T12 << 1462352718.95393109 DistributedAtomicCorrection (350.60019s) stopped
T12 >> 1462352718.95397806 Distribute overlap matrix (6439.44102s) started
T12 >> 1462352718.95401001 blocked summation (3598.00234s) started
T12 << 1462352723.75368905 blocked summation (3602.80201s) stopped
T12 >> 1462352723.76319289 Scalapack redistribute (2833.20495s) started
T12 << 1462352727.43301296 Scalapack redistribute (2836.87477s) stopped
T12 << 1462352727.43311906 Distribute overlap matrix (6447.92017s) stopped
T12 >> 1462352727.43746495 Blacs Orbital Layouts (45890.40277s) started
T12 >> 1462352727.44649100 General diagonalize (45710.52770s) started
T12 << 1462352780.87519312 General diagonalize (45763.95640s) stopped
T12 >> 1462352780.87523890 Redistribute coefs (7.01341s) started
T12 << 1462352780.88316107 Redistribute coefs (7.02133s) stopped
T12 >> 1462352780.88323307 Send coefs to domains (165.18914s) started
T12 << 1462352780.99749494 Send coefs to domains (165.30341s) stopped
T12 << 1462352780.99789691 Blacs Orbital Layouts (45943.96321s) stopped
T12 >> 1462352780.99792409 Calculate projections (1488.54195s) started
T12 << 1462352782.72939610 Calculate projections (1490.27342s) stopped
T12 << 1462352782.72975612 LCAO eigensolver (55056.60723s) stopped
T12 >> 1462352785.88048911 Density (12879.48707s) started
T12 >> 1462352785.88050604 Pseudo density (9918.57657s) started
T12 >> 1462352785.88432693 Calculate density matrix (9310.66392s) started
T12 << 1462352797.77179694 Calculate density matrix (9322.55139s) stopped
T12 >> 1462352797.77184510 Construct density (592.18144s) started
T12 << 1462352798.55263805 Construct density (592.96223s) stopped
T12 >> 1462352798.56865191 Symmetrize density (0.06663s) started
T12 << 1462352798.56871605 Symmetrize density (0.06670s) stopped
T12 << 1462352798.57114100 Pseudo density (9931.26720s) stopped
T12 >> 1462352798.57119608 Atomic density matrices (2616.89338s) started
T12 << 1462352802.10558796 Atomic density matrices (2620.42778s) stopped
T12 >> 1462352802.10561895 Multipole moments (10.00611s) started
T12 << 1462352802.12150502 Multipole moments (10.02199s) stopped
T12 >> 1462352802.12153792 Normalize (5.28086s) started
T12 << 1462352802.12841892 Normalize (5.28774s) stopped
T12 >> 1462352802.12845802 Mix (328.66774s) started
T12 << 1462352802.52673697 Mix (329.06602s) stopped
T12 << 1462352802.52678299 Density (12896.13336s) stopped
T12 >> 1462352802.52681398 Hamiltonian (39252.41682s) started
T12 >> 1462352802.52682900 vbar (20.81526s) started
T12 << 1462352802.54851699 vbar (20.83695s) stopped
T12 >> 1462352802.54863000 XC 3D grid (22063.19348s) started
T12 >> 1462352803.06606698 van der Waals (21307.94864s) started
T12 >> 1462352803.17782211 semilocal (4503.38554s) started
T12 << 1462352808.93567991 semilocal (4509.14340s) stopped
T12 >> 1462352809.01216793 redistribute (2287.36058s) started
T12 << 1462352810.03635693 redistribute (2288.38477s) stopped
T12 >> 1462352810.03642607 libvdwxc nonlocal (14368.62059s) started
T12 << 1462352828.37998199 libvdwxc nonlocal (14386.96415s) stopped
T12 >> 1462352828.38004589 redistribute (2288.38483s) started
T12 << 1462352830.07059503 redistribute (2290.07537s) stopped
T12 << 1462352830.07142305 van der Waals (21334.95399s) stopped
T12 << 1462352830.54059696 XC 3D grid (22091.18545s) stopped
T12 >> 1462352830.54065895 Poisson (4549.26166s) started
T12 << 1462352836.37808394 Poisson (4555.09909s) stopped
T12 >> 1462352836.37821198 Hartree integrate/restrict (290.96510s) started
T12 << 1462352836.42385602 Hartree integrate/restrict (291.01075s) stopped
T12 >> 1462352836.42396903 Hartree integrate/restrict (291.01083s) started
T12 << 1462352836.77605200 Hartree integrate/restrict (291.36291s) stopped
T12 >> 1462352836.77612901 Atomic (1866.18365s) started
T12 >> 1462352836.77791810 XC Correction (0.02568s) started
T12 << 1462352836.77793598 XC Correction (0.02570s) stopped
T12 << 1462352839.12243795 Atomic (1868.52996s) stopped
T12 >> 1462352839.12261105 Communicate (10461.69493s) started
T12 << 1462352857.35612202 Communicate (10479.92845s) stopped
T12 << 1462352857.35615993 Hamiltonian (39307.24617s) stopped
T12 >> 1462352857.35618591 LCAO eigensolver (55056.60725s) started
T12 >> 1462352857.35619903 Potential matrix (819.70807s) started
T12 << 1462352858.33300495 Potential matrix (820.68488s) stopped
T12 >> 1462352858.33307791 DistributedAtomicCorrection (350.60023s) started
T12 << 1462352858.77577209 DistributedAtomicCorrection (351.04293s) stopped
T12 >> 1462352858.77582312 Distribute overlap matrix (6447.92018s) started
T12 >> 1462352858.77585292 blocked summation (3602.80206s) started
T12 << 1462352863.63398004 blocked summation (3607.66018s) stopped
T12 >> 1462352863.64429808 Scalapack redistribute (2836.87484s) started
T12 << 1462352867.20089698 Scalapack redistribute (2840.43144s) stopped
T12 << 1462352867.20100188 Distribute overlap matrix (6456.34536s) stopped
T12 >> 1462352867.20554495 Blacs Orbital Layouts (45943.96323s) started
T12 >> 1462352867.21419907 General diagonalize (45763.95643s) started
T12 << 1462352921.81992602 General diagonalize (45818.56216s) stopped
T12 >> 1462352921.82001209 Redistribute coefs (7.02139s) started
T12 << 1462352921.82803798 Redistribute coefs (7.02942s) stopped
T12 >> 1462352921.82810307 Send coefs to domains (165.30344s) started
T12 << 1462352922.17521811 Send coefs to domains (165.65056s) stopped
T12 << 1462352922.17555904 Blacs Orbital Layouts (45998.93324s) stopped
T12 >> 1462352922.17558694 Calculate projections (1490.27347s) started
T12 << 1462352923.90602803 Calculate projections (1492.00391s) stopped
T12 << 1462352923.90638804 LCAO eigensolver (55123.15745s) stopped
T12 >> 1462352927.05657005 Density (12896.13338s) started
T12 >> 1462352927.05658388 Pseudo density (9931.26724s) started
T12 >> 1462352927.05900097 Calculate density matrix (9322.55142s) started
T12 << 1462352938.96338606 Calculate density matrix (9334.45580s) stopped
T12 >> 1462352938.96343398 Construct density (592.96228s) started
T12 << 1462352939.74598908 Construct density (593.74484s) stopped
T12 >> 1462352939.76227093 Symmetrize density (0.06671s) started
T12 << 1462352939.76233697 Symmetrize density (0.06678s) stopped
T12 << 1462352939.76477003 Pseudo density (9943.97543s) stopped
T12 >> 1462352939.76483202 Atomic density matrices (2620.42780s) started
T12 << 1462352943.29657698 Atomic density matrices (2623.95955s) stopped
T12 >> 1462352943.29661202 Multipole moments (10.02201s) started
T12 << 1462352943.31235194 Multipole moments (10.03775s) stopped
T12 >> 1462352943.31238508 Normalize (5.28777s) started
T12 << 1462352943.31932402 Normalize (5.29471s) stopped
T12 >> 1462352943.31937194 Mix (329.06606s) started
T12 << 1462352943.74532199 Mix (329.49201s) stopped
T12 << 1462352943.74539399 Density (12912.82220s) stopped
T12 >> 1462352943.74542308 Hamiltonian (39307.24618s) started
T12 >> 1462352943.74543905 vbar (20.83702s) started
T12 << 1462352943.77323198 vbar (20.86481s) stopped
T12 >> 1462352943.77335191 XC 3D grid (22091.18550s) started
T12 >> 1462352944.30922198 van der Waals (21334.95401s) started
T12 >> 1462352944.42359805 semilocal (4509.14353s) started
T12 << 1462352950.14595604 semilocal (4514.86588s) stopped
T12 >> 1462352950.22088408 redistribute (2290.07543s) started
T12 << 1462352951.32643390 redistribute (2291.18098s) stopped
T12 >> 1462352951.32648706 libvdwxc nonlocal (14386.96419s) started
T12 << 1462352969.79635692 libvdwxc nonlocal (14405.43406s) stopped
T12 >> 1462352969.79644895 redistribute (2291.18101s) started
T12 << 1462352971.66605091 redistribute (2293.05061s) stopped
T12 << 1462352971.66689610 van der Waals (21362.31169s) stopped
T12 << 1462352972.14087605 XC 3D grid (22119.55302s) stopped
T12 >> 1462352972.14092708 Poisson (4555.09919s) started
T12 << 1462352977.95362997 Poisson (4560.91189s) stopped
T12 >> 1462352977.95371103 Hartree integrate/restrict (291.36294s) started
T12 << 1462352977.99694896 Hartree integrate/restrict (291.40618s) stopped
T12 >> 1462352977.99700999 Hartree integrate/restrict (291.40622s) started
T12 << 1462352978.32347393 Hartree integrate/restrict (291.73268s) stopped
T12 >> 1462352978.32355809 Atomic (1868.52998s) started
T12 >> 1462352978.32531810 XC Correction (0.02571s) started
T12 << 1462352978.32533312 XC Correction (0.02572s) stopped
T12 << 1462352980.68091702 Atomic (1870.88734s) stopped
T12 >> 1462352980.68108606 Communicate (10479.92847s) started
T12 << 1462352998.20902991 Communicate (10497.45642s) stopped
T12 << 1462352998.20906091 Hamiltonian (39361.70982s) stopped
T12 >> 1462352998.20908308 LCAO eigensolver (55123.15747s) started
T12 >> 1462352998.20909595 Potential matrix (820.68492s) started
T12 << 1462352999.19112301 Potential matrix (821.66695s) stopped
T12 >> 1462352999.19119501 DistributedAtomicCorrection (351.04297s) started
T12 << 1462352999.63123989 DistributedAtomicCorrection (351.48301s) stopped
T12 >> 1462352999.63129902 Distribute overlap matrix (6456.34537s) started
T12 >> 1462352999.63132000 blocked summation (3607.66023s) started
T12 << 1462353004.49765205 blocked summation (3612.52657s) stopped
T12 >> 1462353004.50722694 Scalapack redistribute (2840.43150s) started
T12 << 1462353008.11247993 Scalapack redistribute (2844.03675s) stopped
T12 << 1462353008.11257911 Distribute overlap matrix (6464.82665s) stopped
T12 >> 1462353008.11746502 Blacs Orbital Layouts (45998.93326s) started
T12 >> 1462353008.12649107 General diagonalize (45818.56224s) started
T12 << 1462353064.00355601 General diagonalize (45874.43930s) stopped
T12 >> 1462353064.00360990 Redistribute coefs (7.02947s) started
T12 << 1462353064.01152706 Redistribute coefs (7.03739s) stopped
T12 >> 1462353064.01159596 Send coefs to domains (165.65059s) started
T12 << 1462353064.23706007 Send coefs to domains (165.87605s) stopped
T12 << 1462353064.23757696 Blacs Orbital Layouts (46055.05337s) stopped
T12 >> 1462353064.23760700 Calculate projections (1492.00396s) started
T12 << 1462353065.96693802 Calculate projections (1493.73329s) stopped
T12 << 1462353065.96712208 LCAO eigensolver (55190.91551s) stopped
T12 >> 1462353069.12396598 Density (12912.82222s) started
T12 >> 1462353069.12398195 Pseudo density (9943.97548s) started
T12 >> 1462353069.12767410 Calculate density matrix (9334.45584s) started
T12 << 1462353080.94120502 Calculate density matrix (9346.26937s) stopped
T12 >> 1462353080.94125295 Construct density (593.74489s) started
T12 << 1462353081.72502995 Construct density (594.52867s) stopped
T12 >> 1462353081.74130607 Symmetrize density (0.06680s) started
T12 << 1462353081.74137092 Symmetrize density (0.06686s) stopped
T12 << 1462353081.74381804 Pseudo density (9956.59532s) stopped
T12 >> 1462353081.74387598 Atomic density matrices (2623.95957s) started
T12 << 1462353085.40871596 Atomic density matrices (2627.62441s) stopped
T12 >> 1462353085.40874910 Multipole moments (10.03777s) started
T12 << 1462353085.42447805 Multipole moments (10.05350s) stopped
T12 >> 1462353085.42451191 Normalize (5.29474s) started
T12 << 1462353085.43366194 Normalize (5.30389s) stopped
T12 >> 1462353085.43370295 Mix (329.49209s) started
T12 << 1462353085.89461398 Mix (329.95300s) stopped
T12 << 1462353085.89465404 Density (12929.59291s) stopped
T12 >> 1462353085.89467812 Hamiltonian (39361.70983s) started
T12 >> 1462353085.89469194 vbar (20.86488s) started
T12 << 1462353085.92436004 vbar (20.89455s) stopped
T12 >> 1462353085.92456007 XC 3D grid (22119.55306s) started
T12 >> 1462353086.39548612 van der Waals (21362.31172s) started
T12 >> 1462353086.51208591 semilocal (4514.86599s) started
T12 << 1462353092.31589198 semilocal (4520.66979s) stopped
T12 >> 1462353092.39313102 redistribute (2293.05067s) started
T12 << 1462353093.40088010 redistribute (2294.05842s) stopped
T12 >> 1462353093.40093398 libvdwxc nonlocal (14405.43414s) started
T12 << 1462353111.53930306 libvdwxc nonlocal (14423.57251s) stopped
T12 >> 1462353111.53936791 redistribute (2294.05845s) started
T12 << 1462353113.29516101 redistribute (2295.81424s) stopped
T12 << 1462353113.29624796 van der Waals (21389.21248s) stopped
T12 << 1462353113.76468897 XC 3D grid (22147.39319s) stopped
T12 >> 1462353113.76472902 Poisson (4560.91195s) started
T12 << 1462353120.91753602 Poisson (4568.06476s) stopped
T12 >> 1462353120.91761589 Hartree integrate/restrict (291.73273s) started
T12 << 1462353120.95927691 Hartree integrate/restrict (291.77439s) stopped
T12 >> 1462353120.95936203 Hartree integrate/restrict (291.77445s) started
T12 << 1462353121.28147507 Hartree integrate/restrict (292.09656s) stopped
T12 >> 1462353121.28156090 Atomic (1870.88736s) started
T12 >> 1462353121.28327799 XC Correction (0.02573s) started
T12 << 1462353121.28329301 XC Correction (0.02575s) stopped
T12 << 1462353123.63314891 Atomic (1873.23895s) stopped
T12 >> 1462353123.63331103 Communicate (10497.45643s) started
T12 << 1462353140.60898995 Communicate (10514.43211s) stopped
T12 << 1462353140.60902596 Hamiltonian (39416.42418s) stopped
T12 >> 1462353140.60905004 LCAO eigensolver (55190.91552s) started
T12 >> 1462353140.60906410 Potential matrix (821.66699s) started
T12 << 1462353141.58596611 Potential matrix (822.64389s) stopped
T12 >> 1462353141.58603692 DistributedAtomicCorrection (351.48305s) started
T12 << 1462353142.02975893 DistributedAtomicCorrection (351.92677s) stopped
T12 >> 1462353142.02982402 Distribute overlap matrix (6464.82666s) started
T12 >> 1462353142.02984691 blocked summation (3612.52661s) started
T12 << 1462353146.86795902 blocked summation (3617.36473s) stopped
T12 >> 1462353146.87791896 Scalapack redistribute (2844.03681s) started
T12 << 1462353150.58376288 Scalapack redistribute (2847.74266s) stopped
T12 << 1462353150.58386302 Distribute overlap matrix (6473.38070s) stopped
T12 >> 1462353150.58852601 Blacs Orbital Layouts (46055.05339s) started
T12 >> 1462353150.59730601 General diagonalize (45874.43934s) started
T12 << 1462353204.63142395 General diagonalize (45928.47346s) stopped
T12 >> 1462353204.63147902 Redistribute coefs (7.03745s) started
T12 << 1462353204.64057112 Redistribute coefs (7.04654s) stopped
T12 >> 1462353204.64064097 Send coefs to domains (165.87608s) started
T12 << 1462353204.73883605 Send coefs to domains (165.97428s) stopped
T12 << 1462353204.73933196 Blacs Orbital Layouts (46109.20420s) stopped
T12 >> 1462353204.73936510 Calculate projections (1493.73334s) started
T12 << 1462353206.48106694 Calculate projections (1495.47504s) stopped
T12 << 1462353206.48153400 LCAO eigensolver (55256.78801s) stopped
T12 >> 1462353209.62561297 Density (12929.59292s) started
T12 >> 1462353209.62562990 Pseudo density (9956.59536s) started
T12 >> 1462353209.62784410 Calculate density matrix (9346.26940s) started
T12 << 1462353222.48622799 Calculate density matrix (9359.12779s) stopped
T12 >> 1462353222.48628497 Construct density (594.52872s) started
T12 << 1462353223.26951599 Construct density (595.31195s) stopped
T12 >> 1462353223.28362799 Symmetrize density (0.06688s) started
T12 << 1462353223.28369403 Symmetrize density (0.06695s) stopped
T12 << 1462353223.28582501 Pseudo density (9970.25556s) stopped
T12 >> 1462353223.28589392 Atomic density matrices (2627.62444s) started
T12 << 1462353226.84786296 Atomic density matrices (2631.18640s) stopped
T12 >> 1462353226.84790111 Multipole moments (10.05352s) started
T12 << 1462353226.86366510 Multipole moments (10.06928s) stopped
T12 >> 1462353226.86370111 Normalize (5.30392s) started
T12 << 1462353226.87000489 Normalize (5.31022s) stopped
T12 >> 1462353226.87006497 Mix (329.95304s) started
T12 << 1462353227.32764792 Mix (330.41062s) stopped
T12 << 1462353227.32772708 Density (12947.29503s) stopped
T12 >> 1462353227.32780194 Hamiltonian (39416.42419s) started
T12 >> 1462353227.32782412 vbar (20.89467s) started
T12 << 1462353227.35772610 vbar (20.92457s) stopped
T12 >> 1462353227.35787296 XC 3D grid (22147.39322s) started
T12 >> 1462353227.86759996 van der Waals (21389.21250s) started
T12 >> 1462353227.98266101 semilocal (4520.66992s) started
T12 << 1462353233.81947803 semilocal (4526.50674s) stopped
T12 >> 1462353233.90028501 redistribute (2295.81430s) started
T12 << 1462353234.86925197 redistribute (2296.78327s) stopped
T12 >> 1462353234.86930203 libvdwxc nonlocal (14423.57255s) started
T12 << 1462353252.98163605 libvdwxc nonlocal (14441.68489s) stopped
T12 >> 1462353252.98171496 redistribute (2296.78331s) started
T12 << 1462353255.10589194 redistribute (2298.90748s) stopped
T12 << 1462353255.10692096 van der Waals (21416.45182s) stopped
T12 << 1462353255.57555294 XC 3D grid (22175.61090s) stopped
T12 >> 1462353255.57562208 Poisson (4568.06482s) started
T12 << 1462353260.07674193 Poisson (4572.56594s) stopped
T12 >> 1462353260.07682300 Hartree integrate/restrict (292.09660s) started
T12 << 1462353260.13029408 Hartree integrate/restrict (292.15008s) stopped
T12 >> 1462353260.13034296 Hartree integrate/restrict (292.15011s) started
T12 << 1462353260.44320607 Hartree integrate/restrict (292.46297s) stopped
T12 >> 1462353260.44330502 Atomic (1873.23897s) started
T12 >> 1462353260.44512010 XC Correction (0.02576s) started
T12 << 1462353260.44513512 XC Correction (0.02578s) stopped
T12 << 1462353262.80186605 Atomic (1875.59753s) stopped
T12 >> 1462353262.80202508 Communicate (10514.43214s) started
T12 << 1462353279.77475905 Communicate (10531.40487s) stopped
T12 << 1462353279.77480006 Hamiltonian (39468.87119s) stopped
T12 >> 1462353279.77482605 LCAO eigensolver (55256.78803s) started
T12 >> 1462353279.77483892 Potential matrix (822.64393s) started
T12 << 1462353280.75754905 Potential matrix (823.62664s) stopped
T12 >> 1462353280.75763702 DistributedAtomicCorrection (351.92681s) started
T12 << 1462353281.20842695 DistributedAtomicCorrection (352.37760s) stopped
T12 >> 1462353281.20849204 Distribute overlap matrix (6473.38071s) started
T12 >> 1462353281.20851493 blocked summation (3617.36476s) started
T12 << 1462353286.09944892 blocked summation (3622.25569s) stopped
T12 >> 1462353286.10894608 Scalapack redistribute (2847.74272s) started
T12 << 1462353289.63504410 Scalapack redistribute (2851.26882s) stopped
T12 << 1462353289.63515592 Distribute overlap matrix (6481.80738s) stopped
T12 >> 1462353289.63984299 Blacs Orbital Layouts (46109.20422s) started
T12 >> 1462353289.64827490 General diagonalize (45928.47350s) started
T12 << 1462353345.57273006 General diagonalize (45984.39796s) stopped
T12 >> 1462353345.57277608 Redistribute coefs (7.04659s) started
T12 << 1462353345.58047509 Redistribute coefs (7.05429s) stopped
T12 >> 1462353345.58053994 Send coefs to domains (165.97432s) started
T12 << 1462353346.14861298 Send coefs to domains (166.54239s) stopped
T12 << 1462353346.14913392 Blacs Orbital Layouts (46165.71351s) stopped
T12 >> 1462353346.14916611 Calculate projections (1495.47510s) started
T12 << 1462353347.87953091 Calculate projections (1497.20547s) stopped
T12 << 1462353347.87989306 LCAO eigensolver (55324.89309s) stopped
T12 >> 1462353351.03096008 Density (12947.29509s) started
T12 >> 1462353351.03097701 Pseudo density (9970.25561s) started
T12 >> 1462353351.03337407 Calculate density matrix (9359.12782s) started
T12 << 1462353363.75102711 Calculate density matrix (9371.84548s) stopped
T12 >> 1462353363.75107598 Construct density (595.31201s) started
T12 << 1462353364.53493500 Construct density (596.09587s) stopped
T12 >> 1462353364.55116796 Symmetrize density (0.06696s) started
T12 << 1462353364.55123091 Symmetrize density (0.06702s) stopped
T12 << 1462353364.55364609 Pseudo density (9983.77828s) stopped
T12 >> 1462353364.55370212 Atomic density matrices (2631.18643s) started
T12 << 1462353368.07984805 Atomic density matrices (2634.71258s) stopped
T12 >> 1462353368.07988310 Multipole moments (10.06930s) started
T12 << 1462353368.09532499 Multipole moments (10.08474s) stopped
T12 >> 1462353368.09535694 Normalize (5.31027s) started
T12 << 1462353368.10196304 Normalize (5.31687s) stopped
T12 >> 1462353368.10200191 Mix (330.41070s) started
T12 << 1462353368.53853512 Mix (330.84723s) stopped
T12 << 1462353368.53858399 Density (12964.80271s) stopped
T12 >> 1462353368.53861094 Hamiltonian (39468.87120s) started
T12 >> 1462353368.53862500 vbar (20.92465s) started
T12 << 1462353368.56038094 vbar (20.94641s) stopped
T12 >> 1462353368.56048608 XC 3D grid (22175.61096s) started
T12 >> 1462353369.08316207 van der Waals (21416.45185s) started
T12 >> 1462353369.19319892 semilocal (4526.50685s) started
T12 << 1462353374.91704106 semilocal (4532.23069s) stopped
T12 >> 1462353374.99143291 redistribute (2298.90754s) started
T12 << 1462353376.06825209 redistribute (2299.98436s) stopped
T12 >> 1462353376.06829596 libvdwxc nonlocal (14441.68495s) started
T12 << 1462353395.00778103 libvdwxc nonlocal (14460.62443s) stopped
T12 >> 1462353395.00783610 redistribute (2299.98439s) started
T12 << 1462353396.81367993 redistribute (2301.79024s) stopped
T12 << 1462353396.81468511 van der Waals (21444.18337s) stopped
T12 << 1462353397.27745509 XC 3D grid (22204.32793s) stopped
T12 >> 1462353397.27749896 Poisson (4572.56600s) started
T12 << 1462353401.68741488 Poisson (4576.97592s) stopped
T12 >> 1462353401.68748808 Hartree integrate/restrict (292.46302s) started
T12 << 1462353401.73619890 Hartree integrate/restrict (292.51173s) stopped
T12 >> 1462353401.73628211 Hartree integrate/restrict (292.51179s) started
T12 << 1462353402.05974507 Hartree integrate/restrict (292.83525s) stopped
T12 >> 1462353402.05982089 Atomic (1875.59756s) started
T12 >> 1462353402.06155109 XC Correction (0.02579s) started
T12 << 1462353402.06156802 XC Correction (0.02580s) stopped
T12 << 1462353404.45467091 Atomic (1877.99241s) stopped
T12 >> 1462353404.45482612 Communicate (10531.40490s) started
T12 << 1462353421.38416505 Communicate (10548.33423s) stopped
T12 << 1462353421.38420200 Hamiltonian (39521.71679s) stopped
T12 >> 1462353421.38422704 LCAO eigensolver (55324.89311s) started
T12 >> 1462353421.38423991 Potential matrix (823.62670s) started
T12 << 1462353422.36949492 Potential matrix (824.61195s) stopped
T12 >> 1462353422.36956596 DistributedAtomicCorrection (352.37764s) started
T12 << 1462353422.81126094 DistributedAtomicCorrection (352.81934s) stopped
T12 >> 1462353422.81132102 Distribute overlap matrix (6481.80739s) started
T12 >> 1462353422.81134295 blocked summation (3622.25572s) started
T12 << 1462353427.76612997 blocked summation (3627.21051s) stopped
T12 >> 1462353427.77594805 Scalapack redistribute (2851.26889s) started
T12 << 1462353431.29248905 Scalapack redistribute (2854.78543s) stopped
T12 << 1462353431.29259801 Distribute overlap matrix (6490.28867s) stopped
T12 >> 1462353431.29806089 Blacs Orbital Layouts (46165.71353s) started
T12 >> 1462353431.30645609 General diagonalize (45984.39799s) started
T12 << 1462353487.85662603 General diagonalize (46040.94816s) stopped
T12 >> 1462353487.85667896 Redistribute coefs (7.05435s) started
T12 << 1462353487.86555505 Redistribute coefs (7.06322s) stopped
T12 >> 1462353487.86560702 Send coefs to domains (166.54243s) started
T12 << 1462353487.94825792 Send coefs to domains (166.62508s) stopped
T12 << 1462353487.94876790 Blacs Orbital Layouts (46222.36423s) stopped
T12 >> 1462353487.94880199 Calculate projections (1497.20552s) started
T12 << 1462353489.69055605 Calculate projections (1498.94728s) stopped
T12 << 1462353489.69105697 LCAO eigensolver (55393.19994s) stopped
T12 >> 1462353492.82162809 Density (12964.80272s) started
T12 >> 1462353492.82164502 Pseudo density (9983.77833s) started
T12 >> 1462353492.82389593 Calculate density matrix (9371.84551s) started
T12 << 1462353504.73137403 Calculate density matrix (9383.75299s) stopped
T12 >> 1462353504.73143101 Construct density (596.09592s) started
T12 << 1462353505.51579309 Construct density (596.88028s) stopped
T12 >> 1462353505.53010297 Symmetrize density (0.06704s) started
T12 << 1462353505.53020096 Symmetrize density (0.06714s) stopped
T12 << 1462353505.53233099 Pseudo density (9996.48901s) stopped
T12 >> 1462353505.53240108 Atomic density matrices (2634.71261s) started
T12 << 1462353509.08474708 Atomic density matrices (2638.26495s) stopped
T12 >> 1462353509.08478403 Multipole moments (10.08476s) started
T12 << 1462353509.10048509 Multipole moments (10.10046s) stopped
T12 >> 1462353509.10052299 Normalize (5.31690s) started
T12 << 1462353509.10682011 Normalize (5.32320s) stopped
T12 >> 1462353509.10687995 Mix (330.84728s) started
T12 << 1462353509.52775788 Mix (331.26815s) stopped
T12 << 1462353509.52781200 Density (12981.50891s) stopped
T12 >> 1462353509.52784491 Hamiltonian (39521.71681s) started
T12 >> 1462353509.52786112 vbar (20.94646s) started
T12 << 1462353509.55474401 vbar (20.97335s) stopped
T12 >> 1462353509.55489898 XC 3D grid (22204.32796s) started
T12 >> 1462353510.03866410 van der Waals (21444.18340s) started
T12 >> 1462353510.15214205 semilocal (4532.23079s) started
T12 << 1462353515.97866106 semilocal (4538.05731s) stopped
T12 >> 1462353516.05330205 redistribute (2301.79030s) started
T12 << 1462353517.03390408 redistribute (2302.77090s) stopped
T12 >> 1462353517.03396702 libvdwxc nonlocal (14460.62448s) started
T12 << 1462353535.25990510 libvdwxc nonlocal (14478.85041s) stopped
T12 >> 1462353535.25998902 redistribute (2302.77094s) started
T12 << 1462353537.30650806 redistribute (2304.81746s) stopped
T12 << 1462353537.30754304 van der Waals (21471.45228s) stopped
T12 << 1462353537.77679992 XC 3D grid (22232.54986s) stopped
T12 >> 1462353537.77687502 Poisson (4576.97597s) started
T12 << 1462353542.10939789 Poisson (4581.30849s) stopped
T12 >> 1462353542.10949802 Hartree integrate/restrict (292.83528s) started
T12 << 1462353542.14680910 Hartree integrate/restrict (292.87259s) stopped
T12 >> 1462353542.14688993 Hartree integrate/restrict (292.87264s) started
T12 << 1462353542.49365807 Hartree integrate/restrict (293.21941s) stopped
T12 >> 1462353542.49375796 Atomic (1877.99243s) started
T12 >> 1462353542.49567795 XC Correction (0.02581s) started
T12 << 1462353542.49569392 XC Correction (0.02583s) stopped
T12 << 1462353544.83727694 Atomic (1880.33595s) stopped
T12 >> 1462353544.83744502 Communicate (10548.33426s) started
T12 << 1462353561.83699989 Communicate (10565.33381s) stopped
T12 << 1462353561.83704305 Hamiltonian (39574.02600s) stopped
T12 >> 1462353561.83706903 LCAO eigensolver (55393.19996s) started
T12 >> 1462353561.83708191 Potential matrix (824.61199s) started
T12 << 1462353562.81604600 Potential matrix (825.59096s) stopped
T12 >> 1462353562.81614208 DistributedAtomicCorrection (352.81938s) started
T12 << 1462353563.26925898 DistributedAtomicCorrection (353.27249s) stopped
T12 >> 1462353563.26932502 Distribute overlap matrix (6490.28868s) started
T12 >> 1462353563.26935005 blocked summation (3627.21054s) started
T12 << 1462353568.16592789 blocked summation (3632.10712s) stopped
T12 >> 1462353568.17578411 Scalapack redistribute (2854.78549s) started
T12 << 1462353571.80658197 Scalapack redistribute (2858.41629s) stopped
T12 << 1462353571.80666304 Distribute overlap matrix (6498.82602s) stopped
T12 >> 1462353571.81183004 Blacs Orbital Layouts (46222.36425s) started
T12 >> 1462353571.82118392 General diagonalize (46040.94821s) started
T12 << 1462353624.91795611 General diagonalize (46094.04498s) stopped
T12 >> 1462353624.91804790 Redistribute coefs (7.06326s) started
T12 << 1462353624.92695189 Redistribute coefs (7.07217s) stopped
T12 >> 1462353624.92701197 Send coefs to domains (166.62511s) started
T12 << 1462353625.04849505 Send coefs to domains (166.74660s) stopped
T12 << 1462353625.04892802 Blacs Orbital Layouts (46275.60135s) stopped
T12 >> 1462353625.04896092 Calculate projections (1498.94733s) started
T12 << 1462353626.78975010 Calculate projections (1500.68812s) stopped
T12 << 1462353626.79015708 LCAO eigensolver (55458.15305s) stopped
T12 >> 1462353629.92129111 Density (12981.50892s) started
T12 >> 1462353629.92130709 Pseudo density (9996.48907s) started
T12 >> 1462353629.92341709 Calculate density matrix (9383.75303s) started
T12 << 1462353642.00310206 Calculate density matrix (9395.83271s) stopped
T12 >> 1462353642.00316000 Construct density (596.88034s) started
T12 << 1462353642.78698707 Construct density (597.66417s) stopped
T12 >> 1462353642.80129290 Symmetrize density (0.06716s) started
T12 << 1462353642.80136609 Symmetrize density (0.06724s) stopped
T12 << 1462353642.80348492 Pseudo density (10009.37125s) stopped
T12 >> 1462353642.80355501 Atomic density matrices (2638.26498s) started
T12 << 1462353646.42923594 Atomic density matrices (2641.89066s) stopped
T12 >> 1462353646.42927408 Multipole moments (10.10047s) started
T12 << 1462353646.44495296 Multipole moments (10.11615s) stopped
T12 >> 1462353646.44498801 Normalize (5.32324s) started
T12 << 1462353646.45126605 Normalize (5.32951s) stopped
T12 >> 1462353646.45133495 Mix (331.26821s) started
T12 << 1462353646.84666204 Mix (331.66353s) stopped
T12 << 1462353646.84671307 Density (12998.43434s) stopped
T12 >> 1462353646.84673905 Hamiltonian (39574.02602s) started
T12 >> 1462353646.84675503 vbar (20.97343s) started
T12 << 1462353646.87186909 vbar (20.99854s) stopped
T12 >> 1462353646.87198305 XC 3D grid (22232.54992s) started
T12 >> 1462353647.51206803 van der Waals (21471.45230s) started
T12 >> 1462353647.63292599 semilocal (4538.05741s) started
T12 << 1462353653.42966795 semilocal (4543.85415s) stopped
T12 >> 1462353653.50450897 redistribute (2304.81752s) started
T12 << 1462353654.53598905 redistribute (2305.84900s) stopped
T12 >> 1462353654.53604889 libvdwxc nonlocal (14478.85048s) started
T12 << 1462353672.55802894 libvdwxc nonlocal (14496.87246s) stopped
T12 >> 1462353672.55811000 redistribute (2305.84905s) started
T12 << 1462353674.52851295 redistribute (2307.81945s) stopped
T12 << 1462353674.52956009 van der Waals (21498.46979s) stopped
T12 << 1462353674.99505401 XC 3D grid (22260.67299s) stopped
T12 >> 1462353674.99511290 Poisson (4581.30856s) started
T12 << 1462353679.37824106 Poisson (4585.69169s) stopped
T12 >> 1462353679.37833691 Hartree integrate/restrict (293.21946s) started
T12 << 1462353679.41770792 Hartree integrate/restrict (293.25883s) stopped
T12 >> 1462353679.41777802 Hartree integrate/restrict (293.25887s) started
T12 << 1462353679.74480796 Hartree integrate/restrict (293.58590s) stopped
T12 >> 1462353679.74492002 Atomic (1880.33597s) started
T12 >> 1462353679.74699211 XC Correction (0.02584s) started
T12 << 1462353679.74702501 XC Correction (0.02588s) stopped
T12 << 1462353682.09297204 Atomic (1882.68403s) stopped
T12 >> 1462353682.09313107 Communicate (10565.33384s) started
T12 << 1462353699.09453392 Communicate (10582.33525s) stopped
T12 << 1462353699.09457707 Hamiltonian (39626.27385s) stopped
T12 >> 1462353699.09460402 LCAO eigensolver (55458.15307s) started
T12 >> 1462353699.09461808 Potential matrix (825.59101s) started
T12 << 1462353700.06945395 Potential matrix (826.56585s) stopped
T12 >> 1462353700.06953502 DistributedAtomicCorrection (353.27253s) started
T12 << 1462353700.51070499 DistributedAtomicCorrection (353.71370s) stopped
T12 >> 1462353700.51076603 Distribute overlap matrix (6498.82603s) started
T12 >> 1462353700.51079011 blocked summation (3632.10716s) started
T12 << 1462353705.40354800 blocked summation (3636.99991s) stopped
T12 >> 1462353705.41362000 Scalapack redistribute (2858.41633s) started
T12 << 1462353709.00937009 Scalapack redistribute (2862.01208s) stopped
T12 << 1462353709.00949192 Distribute overlap matrix (6507.32476s) stopped
T12 >> 1462353709.01395798 Blacs Orbital Layouts (46275.60137s) started
T12 >> 1462353709.02318001 General diagonalize (46094.04506s) started
T12 << 1462353764.84263110 General diagonalize (46149.86451s) stopped
T12 >> 1462353764.84268308 Redistribute coefs (7.07221s) started
T12 << 1462353764.85129690 Redistribute coefs (7.08083s) stopped
T12 >> 1462353764.85135698 Send coefs to domains (166.74663s) started
T12 << 1462353765.00515008 Send coefs to domains (166.90043s) stopped
T12 << 1462353765.00580907 Blacs Orbital Layouts (46331.59322s) stopped
T12 >> 1462353765.00586891 Calculate projections (1500.68817s) started
T12 << 1462353766.73875499 Calculate projections (1502.42106s) stopped
T12 << 1462353766.73923302 LCAO eigensolver (55525.79770s) stopped
T12 >> 1462353769.90763402 Density (12998.43436s) started
T12 >> 1462353769.90764999 Pseudo density (10009.37130s) started
T12 >> 1462353769.91056705 Calculate density matrix (9395.83275s) started
T12 << 1462353781.99320102 Calculate density matrix (9407.91538s) stopped
T12 >> 1462353781.99325109 Construct density (597.66423s) started
T12 << 1462353782.77731705 Construct density (598.44830s) stopped
T12 >> 1462353782.79382992 Symmetrize density (0.06725s) started
T12 << 1462353782.79389501 Symmetrize density (0.06732s) stopped
T12 << 1462353782.79633307 Pseudo density (10022.25998s) stopped
T12 >> 1462353782.79639196 Atomic density matrices (2641.89069s) started
T12 << 1462353786.25783110 Atomic density matrices (2645.35213s) stopped
T12 >> 1462353786.25786495 Multipole moments (10.11617s) started
T12 << 1462353786.27271104 Multipole moments (10.13102s) stopped
T12 >> 1462353786.27274394 Normalize (5.32956s) started
T12 << 1462353786.27960801 Normalize (5.33643s) stopped
T12 >> 1462353786.27964401 Mix (331.66358s) started
T12 << 1462353786.70973802 Mix (332.09368s) stopped
T12 << 1462353786.70979404 Density (13015.23652s) stopped
T12 >> 1462353786.70981789 Hamiltonian (39626.27387s) started
T12 >> 1462353786.70983195 vbar (20.99861s) started
T12 << 1462353786.73658705 vbar (21.02536s) stopped
T12 >> 1462353786.73679495 XC 3D grid (22260.67304s) started
T12 >> 1462353787.23811197 van der Waals (21498.46982s) started
T12 >> 1462353787.34987307 semilocal (4543.85421s) started
T12 << 1462353793.14264607 semilocal (4549.64698s) stopped
T12 >> 1462353793.21604991 redistribute (2307.81951s) started
T12 << 1462353794.21555805 redistribute (2308.81902s) stopped
T12 >> 1462353794.21561408 libvdwxc nonlocal (14496.87252s) started
T12 << 1462353812.61764908 libvdwxc nonlocal (14515.27455s) stopped
T12 >> 1462353812.61771488 redistribute (2308.81905s) started
T12 << 1462353814.34470797 redistribute (2310.54605s) stopped
T12 << 1462353814.34566808 van der Waals (21525.57737s) stopped
T12 << 1462353814.80773807 XC 3D grid (22288.74399s) stopped
T12 >> 1462353814.80778289 Poisson (4585.69176s) started
T12 << 1462353817.73218203 Poisson (4588.61616s) stopped
T12 >> 1462353817.73225188 Hartree integrate/restrict (293.58596s) started
T12 << 1462353817.77652001 Hartree integrate/restrict (293.63023s) stopped
T12 >> 1462353817.77656198 Hartree integrate/restrict (293.63026s) started
T12 << 1462353818.09748006 Hartree integrate/restrict (293.95117s) stopped
T12 >> 1462353818.09754705 Atomic (1882.68405s) started
T12 >> 1462353818.09926701 XC Correction (0.02589s) started
T12 << 1462353818.09928203 XC Correction (0.02590s) stopped
T12 << 1462353820.45072007 Atomic (1885.03722s) stopped
T12 >> 1462353820.45085812 Communicate (10582.33527s) started
T12 << 1462353837.53352809 Communicate (10599.41794s) stopped
T12 << 1462353837.53356504 Hamiltonian (39677.09761s) stopped
T12 >> 1462353837.53359008 LCAO eigensolver (55525.79772s) started
T12 >> 1462353837.53360391 Potential matrix (826.56589s) started
T12 << 1462353838.51139593 Potential matrix (827.54368s) stopped
T12 >> 1462353838.51148200 DistributedAtomicCorrection (353.71374s) started
T12 << 1462353838.96203804 DistributedAtomicCorrection (354.16430s) stopped
T12 >> 1462353838.96210289 Distribute overlap matrix (6507.32477s) started
T12 >> 1462353838.96212506 blocked summation (3636.99995s) started
T12 << 1462353843.81778502 blocked summation (3641.85561s) stopped
T12 >> 1462353843.82745790 Scalapack redistribute (2862.01215s) started
T12 << 1462353847.43234301 Scalapack redistribute (2865.61704s) stopped
T12 << 1462353847.43244195 Distribute overlap matrix (6515.79511s) stopped
T12 >> 1462353847.43726110 Blacs Orbital Layouts (46331.59327s) started
T12 >> 1462353847.44585490 General diagonalize (46149.86455s) started
T12 << 1462353903.24653792 General diagonalize (46205.66523s) stopped
T12 >> 1462353903.24659204 Redistribute coefs (7.08087s) started
T12 << 1462353903.25540805 Redistribute coefs (7.08969s) stopped
T12 >> 1462353903.25546789 Send coefs to domains (166.90046s) started
T12 << 1462353904.03924990 Send coefs to domains (167.68424s) stopped
T12 << 1462353904.03979111 Blacs Orbital Layouts (46388.19580s) stopped
T12 >> 1462353904.03982091 Calculate projections (1502.42111s) started
T12 << 1462353905.76871705 Calculate projections (1504.15000s) stopped
T12 << 1462353905.76907206 LCAO eigensolver (55594.03320s) stopped
T12 << 1462353908.93562794 SCF-cycle (110982.91413s) stopped
T12 >> 1462353911.05193210 Force calculation (5310.57722s) started
T12 >> 1462353911.05201411 LCAO forces (5253.21311s) started
T12 >> 1462353911.05237794 Initial (0.00151s) started
T12 << 1462353911.05238891 Initial (0.00153s) stopped
T12 >> 1462353911.05905104 Get density matrix (2726.31744s) started
T12 << 1462353920.21666098 Get density matrix (2735.47505s) stopped
T12 >> 1462353920.21670198 Potential (413.13491s) started
T12 << 1462353926.40088105 Potential (419.31909s) stopped
T12 >> 1462353926.40093899 Get density matrix (2735.47509s) started
T12 << 1462353958.38723612 Get density matrix (2767.46138s) stopped
T12 >> 1462353958.38729501 Prepare TCI loop (147.32228s) started
T12 >> 1462353958.38782096 Get neighbors (130.99970s) started
T12 << 1462353960.31298900 Get neighbors (132.92487s) stopped
T12 >> 1462353960.31347895 broadcast dH (16.24208s) started
T12 << 1462353960.83424902 broadcast dH (16.76285s) stopped
T12 << 1462353960.83429193 Prepare TCI loop (149.76927s) stopped
T12 >> 1462353960.83431196 Not so complicated loop (8.01186s) started
T12 << 1462353960.95353389 Not so complicated loop (8.13108s) stopped
T12 >> 1462353961.07229495 Complicated loop (1272.91019s) started
T12 << 1462353980.92272902 Complicated loop (1292.76062s) stopped
T12 >> 1462353980.92381597 Wait for sum (676.80688s) started
T12 << 1462353992.11181593 Wait for sum (687.99488s) stopped
T12 << 1462353992.11185288 LCAO forces (5334.27295s) stopped
T12 << 1462353992.95062804 Force calculation (5392.47591s) stopped
T12 >> 1462353992.96848702 Initialization (8907.92643s) started
T12 << 1462353992.96865702 Initialization (8907.92660s) stopped
T12 >> 1462353992.96893907 Initialization (8907.92661s) started
T12 << 1462353992.96907592 Initialization (8907.92675s) stopped
T12 >> 1462353992.96921706 Initialization (8907.92677s) started
T12 << 1462353992.96935105 Initialization (8907.92690s) stopped
T12 >> 1462354013.21449900 Initialization (8907.92692s) started
T12 >> 1462354013.40100408 Basic WFS set positions (6.04098s) started
T12 >> 1462354013.40102911 Redistribute (0.01997s) started
T12 << 1462354013.40116501 Redistribute (0.02010s) stopped
T12 << 1462354013.49288201 Basic WFS set positions (6.13286s) stopped
T12 >> 1462354013.49291301 Basis functions set positions (127.56045s) started
T12 << 1462354015.47466707 Basis functions set positions (129.54220s) stopped
T12 >> 1462354015.47553205 TCI: Calculate S, T, P (1052.03895s) started
T12 << 1462354031.19883704 TCI: Calculate S, T, P (1067.76225s) stopped
T12 >> 1462354031.19889402 blocked summation (1775.54177s) started
T12 << 1462354065.15428591 blocked summation (1809.49716s) stopped
T12 >> 1462354065.16354895 Scalapack redistribute (635.72328s) started
T12 << 1462354075.15504098 Scalapack redistribute (645.71478s) stopped
T12 >> 1462354075.15615892 blocked summation (1809.49720s) started
T12 << 1462354076.09273410 blocked summation (1810.43377s) stopped
T12 >> 1462354076.10229611 Scalapack redistribute (645.71484s) started
T12 << 1462354076.60681891 Scalapack redistribute (646.21936s) stopped
T12 >> 1462354076.60870600 Redistribute (0.12729s) started
T12 << 1462354076.60921192 Redistribute (0.12779s) stopped
T12 >> 1462354078.38555193 Redistribute (0.12781s) started
T12 << 1462354078.38598895 Redistribute (0.12825s) stopped
T12 >> 1462354078.40154004 LCAO WFS Initialize (5177.63049s) started
T12 >> 1462354078.40162492 Density initialize from wavefunctions (977.25964s) started
T12 >> 1462354078.40939593 Calculate density matrix (673.35025s) started
T12 << 1462354088.20391512 Calculate density matrix (683.14477s) stopped
T12 >> 1462354088.20396209 Construct density (51.73757s) started
T12 << 1462354088.98532796 Construct density (52.51893s) stopped
T12 >> 1462354088.99964094 Symmetrize density (0.00564s) started
T12 << 1462354088.99970293 Symmetrize density (0.00570s) stopped
T12 << 1462354092.98326111 Density initialize from wavefunctions (991.84128s) stopped
T12 >> 1462354092.98363304 Hamiltonian (4199.43543s) started
T12 >> 1462354092.98365307 vbar (1.91391s) started
T12 << 1462354093.00800705 vbar (1.93826s) stopped
T12 >> 1462354093.00810099 XC 3D grid (1961.63069s) started
T12 >> 1462354093.53019404 van der Waals (1894.86902s) started
T12 >> 1462354093.63917089 semilocal (399.57352s) started
T12 << 1462354099.41710496 semilocal (405.35145s) stopped
T12 >> 1462354099.50216889 redistribute (212.79775s) started
T12 << 1462354100.52382302 redistribute (213.81941s) stopped
T12 >> 1462354100.52386498 libvdwxc nonlocal (1269.28450s) started
T12 << 1462354119.02876711 libvdwxc nonlocal (1287.78940s) stopped
T12 >> 1462354119.02895308 redistribute (213.81944s) started
T12 << 1462354120.74592805 redistribute (215.53641s) stopped
T12 << 1462354120.74745202 van der Waals (1922.08627s) stopped
T12 << 1462354121.19015288 XC 3D grid (1989.81274s) stopped
T12 >> 1462354121.19019604 Poisson (973.14676s) started
T12 << 1462354135.90158892 Poisson (987.85816s) stopped
T12 >> 1462354135.90169096 Hartree integrate/restrict (25.75654s) started
T12 << 1462354135.94378591 Hartree integrate/restrict (25.79863s) stopped
T12 >> 1462354135.94392991 Hartree integrate/restrict (25.79873s) started
T12 << 1462354136.33946490 Hartree integrate/restrict (26.19426s) stopped
T12 >> 1462354136.33955312 Atomic (163.77994s) started
T12 >> 1462354136.34193110 XC Correction (0.00246s) started
T12 << 1462354136.34195900 XC Correction (0.00249s) stopped
T12 << 1462354138.63918996 Atomic (166.07958s) stopped
T12 >> 1462354138.63936710 Communicate (1073.15469s) started
T12 << 1462354157.35058689 Communicate (1091.86591s) stopped
T12 << 1462354157.35062504 Hamiltonian (4263.80242s) stopped
T12 << 1462354157.35064006 LCAO WFS Initialize (5256.57959s) stopped
T12 << 1462354157.36280704 Initialization (9052.07523s) stopped
T12 >> 1462354157.38895702 SCF-cycle (110982.91415s) started
T12 >> 1462354157.38899302 LCAO eigensolver (55594.03322s) started
T12 >> 1462354157.38900590 Potential matrix (827.54373s) started
T12 << 1462354158.37267709 Potential matrix (828.52741s) stopped
T12 >> 1462354158.37276912 DistributedAtomicCorrection (354.16434s) started
T12 << 1462354158.81387711 DistributedAtomicCorrection (354.60545s) stopped
T12 >> 1462354158.81392503 Distribute overlap matrix (6515.79513s) started
T12 >> 1462354158.81396198 blocked summation (3641.85564s) started
T12 << 1462354163.57458091 blocked summation (3646.61626s) stopped
T12 >> 1462354163.58348608 Scalapack redistribute (2865.61710s) started
T12 << 1462354167.24850297 Scalapack redistribute (2869.28211s) stopped
T12 << 1462354167.24861407 Distribute overlap matrix (6524.22981s) stopped
T12 >> 1462354167.25248194 Blacs Orbital Layouts (46388.19582s) started
T12 >> 1462354167.26200700 General diagonalize (46205.66528s) started
T12 << 1462354223.39393806 General diagonalize (46261.79721s) stopped
T12 >> 1462354223.39398289 Redistribute coefs (7.08974s) started
T12 << 1462354223.40369391 Redistribute coefs (7.09945s) stopped
T12 >> 1462354223.40373492 Send coefs to domains (167.68428s) started
T12 << 1462354224.04997492 Send coefs to domains (168.33052s) stopped
T12 << 1462354224.05063295 Blacs Orbital Layouts (46444.99397s) stopped
T12 >> 1462354224.05066204 Calculate projections (1504.15005s) started
T12 << 1462354225.77639890 Calculate projections (1505.87579s) stopped
T12 << 1462354225.77660298 LCAO eigensolver (55662.42083s) stopped
T12 >> 1462354228.94386911 Density (13015.23653s) started
T12 >> 1462354228.94388390 Pseudo density (10022.26003s) started
T12 >> 1462354228.94655991 Calculate density matrix (9407.91542s) started
T12 << 1462354240.84486890 Calculate density matrix (9419.81373s) stopped
T12 >> 1462354240.84491706 Construct density (598.44835s) started
T12 << 1462354241.62917995 Construct density (599.23261s) stopped
T12 >> 1462354241.64322996 Symmetrize density (0.06733s) started
T12 << 1462354241.64329696 Symmetrize density (0.06740s) stopped
T12 << 1462354241.64540601 Pseudo density (10034.96155s) stopped
T12 >> 1462354241.64546490 Atomic density matrices (2645.35215s) started
T12 << 1462354245.38263297 Atomic density matrices (2649.08932s) stopped
T12 >> 1462354245.38266492 Multipole moments (10.13103s) started
T12 << 1462354245.39863205 Multipole moments (10.14700s) stopped
T12 >> 1462354245.39865708 Normalize (5.33645s) started
T12 << 1462354245.40489888 Normalize (5.34269s) stopped
T12 >> 1462354245.40495706 Mix (332.09373s) started
T12 << 1462354245.72866392 Mix (332.41744s) stopped
T12 << 1462354245.72873592 Density (13032.02140s) stopped
T12 >> 1462354245.72876906 Hamiltonian (39677.09763s) started
T12 >> 1462354245.72878599 vbar (21.02547s) started
T12 << 1462354245.75443602 vbar (21.05112s) stopped
T12 >> 1462354245.75453711 XC 3D grid (22288.74402s) started
T12 >> 1462354246.27298808 van der Waals (21525.57740s) started
T12 >> 1462354246.38316107 semilocal (4549.64704s) started
T12 << 1462354252.11036110 semilocal (4555.37424s) stopped
T12 >> 1462354252.19585204 redistribute (2310.54610s) started
T12 << 1462354253.27062511 redistribute (2311.62088s) stopped
T12 >> 1462354253.27069402 libvdwxc nonlocal (14515.27460s) started
T12 << 1462354271.80607390 libvdwxc nonlocal (14533.80998s) stopped
T12 >> 1462354271.80613899 redistribute (2311.62093s) started
T12 << 1462354273.74802899 redistribute (2313.56282s) stopped
T12 << 1462354273.74951410 van der Waals (21553.05393s) stopped
T12 << 1462354274.20303392 XC 3D grid (22317.19251s) stopped
T12 >> 1462354274.20307708 Poisson (4588.61621s) started
T12 << 1462354280.11766100 Poisson (4594.53079s) stopped
T12 >> 1462354280.11772799 Hartree integrate/restrict (293.95120s) started
T12 << 1462354280.16425610 Hartree integrate/restrict (293.99773s) stopped
T12 >> 1462354280.16430807 Hartree integrate/restrict (293.99776s) started
T12 << 1462354280.48313594 Hartree integrate/restrict (294.31659s) stopped
T12 >> 1462354280.48320293 Atomic (1885.03725s) started
T12 >> 1462354280.48500395 XC Correction (0.02591s) started
T12 << 1462354280.48501897 XC Correction (0.02593s) stopped
T12 << 1462354282.79188609 Atomic (1887.34593s) stopped
T12 >> 1462354282.79206300 Communicate (10599.41797s) started
T12 << 1462354301.47080398 Communicate (10618.09671s) stopped
T12 << 1462354301.47083998 Hamiltonian (39732.83970s) stopped
T12 >> 1462354301.47086501 LCAO eigensolver (55662.42084s) started
T12 >> 1462354301.47087789 Potential matrix (828.52746s) started
T12 << 1462354302.44870806 Potential matrix (829.50529s) stopped
T12 >> 1462354302.44877911 DistributedAtomicCorrection (354.60549s) started
T12 << 1462354302.88112307 DistributedAtomicCorrection (355.03783s) stopped
T12 >> 1462354302.88116789 Distribute overlap matrix (6524.22983s) started
T12 >> 1462354302.88119698 blocked summation (3646.61629s) started
T12 << 1462354307.68538904 blocked summation (3651.42048s) stopped
T12 >> 1462354307.69572401 Scalapack redistribute (2869.28218s) started
T12 << 1462354311.38623405 Scalapack redistribute (2872.97269s) stopped
T12 << 1462354311.38634300 Distribute overlap matrix (6532.73500s) stopped
T12 >> 1462354311.39038801 Blacs Orbital Layouts (46444.99399s) started
T12 >> 1462354311.39928508 General diagonalize (46261.79724s) started
T12 << 1462354367.35216594 General diagonalize (46317.75012s) stopped
T12 >> 1462354367.35221100 Redistribute coefs (7.09948s) started
T12 << 1462354367.36157990 Redistribute coefs (7.10885s) stopped
T12 >> 1462354367.36162090 Send coefs to domains (168.33056s) started
T12 << 1462354367.60403299 Send coefs to domains (168.57297s) stopped
T12 << 1462354367.60443497 Blacs Orbital Layouts (46501.20803s) stopped
T12 >> 1462354367.60449195 Calculate projections (1505.87584s) started
T12 << 1462354369.33112311 Calculate projections (1507.60247s) stopped
T12 << 1462354369.33151197 LCAO eigensolver (55730.28149s) stopped
T12 >> 1462354372.49302292 Density (13032.02141s) started
T12 >> 1462354372.49303794 Pseudo density (10034.96160s) started
T12 >> 1462354372.49547005 Calculate density matrix (9419.81376s) started
T12 << 1462354384.41188312 Calculate density matrix (9431.73017s) stopped
T12 >> 1462354384.41193104 Construct density (599.23266s) started
T12 << 1462354385.19456291 Construct density (600.01529s) stopped
T12 >> 1462354385.20833492 Symmetrize density (0.06742s) started
T12 << 1462354385.20839906 Symmetrize density (0.06748s) stopped
T12 << 1462354385.21049094 Pseudo density (10047.67905s) stopped
T12 >> 1462354385.21054792 Atomic density matrices (2649.08935s) started
T12 << 1462354388.96957898 Atomic density matrices (2652.84838s) stopped
T12 >> 1462354388.96961188 Multipole moments (10.14702s) started
T12 << 1462354388.98576593 Multipole moments (10.16317s) stopped
T12 >> 1462354388.98579907 Normalize (5.34274s) started
T12 << 1462354388.99190092 Normalize (5.34884s) stopped
T12 >> 1462354388.99195504 Mix (332.41751s) started
T12 << 1462354389.34109402 Mix (332.76665s) stopped
T12 << 1462354389.34119010 Density (13048.86958s) stopped
T12 >> 1462354389.34122491 Hamiltonian (39732.83971s) started
T12 >> 1462354389.34124207 vbar (21.05118s) started
T12 << 1462354389.36435390 vbar (21.07429s) stopped
T12 >> 1462354389.36446190 XC 3D grid (22317.19255s) started
T12 >> 1462354389.85672903 van der Waals (21553.05397s) started
T12 >> 1462354389.96404791 semilocal (4555.37439s) started
T12 << 1462354395.65484691 semilocal (4561.06519s) stopped
T12 >> 1462354395.74514699 redistribute (2313.56288s) started
T12 << 1462354396.84328389 redistribute (2314.66102s) stopped
T12 >> 1462354396.84332800 libvdwxc nonlocal (14533.81003s) started
T12 << 1462354414.96907711 libvdwxc nonlocal (14551.93578s) stopped
T12 >> 1462354414.96914101 redistribute (2314.66105s) started
T12 << 1462354416.74702406 redistribute (2316.43894s) stopped
T12 << 1462354416.74839807 van der Waals (21579.94564s) stopped
T12 << 1462354417.19562697 XC 3D grid (22345.02371s) stopped
T12 >> 1462354417.19568706 Poisson (4594.53084s) started
T12 << 1462354427.11762595 Poisson (4604.45278s) stopped
T12 >> 1462354427.11776805 Hartree integrate/restrict (294.31662s) started
T12 << 1462354427.16290498 Hartree integrate/restrict (294.36176s) stopped
T12 >> 1462354427.16300607 Hartree integrate/restrict (294.36183s) started
T12 << 1462354427.49833488 Hartree integrate/restrict (294.69716s) stopped
T12 >> 1462354427.49843001 Atomic (1887.34595s) started
T12 >> 1462354427.50025511 XC Correction (0.02594s) started
T12 << 1462354427.50027394 XC Correction (0.02596s) stopped
T12 << 1462354429.78656101 Atomic (1889.63408s) stopped
T12 >> 1462354429.78673005 Communicate (10618.09673s) started
T12 << 1462354448.53116107 Communicate (10636.84117s) stopped
T12 << 1462354448.53122997 Hamiltonian (39792.02972s) stopped
T12 >> 1462354448.53125501 LCAO eigensolver (55730.28151s) started
T12 >> 1462354448.53126788 Potential matrix (829.50533s) started
T12 << 1462354449.52076697 Potential matrix (830.49483s) stopped
T12 >> 1462354449.52085590 DistributedAtomicCorrection (355.03787s) started
T12 << 1462354449.95376992 DistributedAtomicCorrection (355.47078s) stopped
T12 >> 1462354449.95381999 Distribute overlap matrix (6532.73501s) started
T12 >> 1462354449.95385003 blocked summation (3651.42051s) started
T12 << 1462354454.71972895 blocked summation (3656.18639s) stopped
T12 >> 1462354454.72954512 Scalapack redistribute (2872.97275s) started
T12 << 1462354458.40748692 Scalapack redistribute (2876.65070s) stopped
T12 << 1462354458.40756798 Distribute overlap matrix (6541.18876s) stopped
T12 >> 1462354458.41192603 Blacs Orbital Layouts (46501.20808s) started
T12 >> 1462354458.42064404 General diagonalize (46317.75016s) started
T12 << 1462354511.53601193 General diagonalize (46370.86553s) stopped
T12 >> 1462354511.53605604 Redistribute coefs (7.10888s) started
T12 << 1462354511.54529691 Redistribute coefs (7.11812s) stopped
T12 >> 1462354511.54533911 Send coefs to domains (168.57300s) started
T12 << 1462354511.83582091 Send coefs to domains (168.86348s) stopped
T12 << 1462354511.83617997 Blacs Orbital Layouts (46554.63233s) stopped
T12 >> 1462354511.83620691 Calculate projections (1507.60252s) started
T12 << 1462354513.56229997 Calculate projections (1509.32861s) stopped
T12 << 1462354513.56265211 LCAO eigensolver (55795.31291s) stopped
T12 >> 1462354516.72544909 Density (13048.86959s) started
T12 >> 1462354516.72546506 Pseudo density (10047.67910s) started
T12 >> 1462354516.72767496 Calculate density matrix (9431.73020s) started
T12 << 1462354528.62564301 Calculate density matrix (9443.62817s) stopped
T12 >> 1462354528.62569094 Construct density (600.01534s) started
T12 << 1462354529.41014600 Construct density (600.79980s) stopped
T12 >> 1462354529.42455411 Symmetrize density (0.06750s) started
T12 << 1462354529.42461610 Symmetrize density (0.06756s) stopped
T12 << 1462354529.42669797 Pseudo density (10060.38033s) stopped
T12 >> 1462354529.42675495 Atomic density matrices (2652.84840s) started
T12 << 1462354533.19841599 Atomic density matrices (2656.62006s) stopped
T12 >> 1462354533.19844699 Multipole moments (10.16319s) started
T12 << 1462354533.21464896 Multipole moments (10.17939s) stopped
T12 >> 1462354533.21467996 Normalize (5.34888s) started
T12 << 1462354533.22077799 Normalize (5.35498s) stopped
T12 >> 1462354533.22085404 Mix (332.76674s) started
T12 << 1462354533.62110710 Mix (333.16699s) stopped
T12 << 1462354533.62118506 Density (13065.76533s) stopped
T12 >> 1462354533.62121391 Hamiltonian (39792.02973s) started
T12 >> 1462354533.62122893 vbar (21.07436s) started
T12 << 1462354533.64301705 vbar (21.09615s) stopped
T12 >> 1462354533.64310098 XC 3D grid (22345.02376s) started
T12 >> 1462354534.18646097 van der Waals (21579.94567s) started
T12 >> 1462354534.29443789 semilocal (4561.06534s) started
T12 << 1462354540.09534597 semilocal (4566.86625s) stopped
T12 >> 1462354540.17313695 redistribute (2316.43898s) started
T12 << 1462354541.14609194 redistribute (2317.41194s) stopped
T12 >> 1462354541.14613509 libvdwxc nonlocal (14551.93583s) started
T12 << 1462354559.53260994 libvdwxc nonlocal (14570.32231s) stopped
T12 >> 1462354559.53267407 redistribute (2317.41197s) started
T12 << 1462354561.42393303 redistribute (2319.30323s) stopped
T12 << 1462354561.42510796 van der Waals (21607.18431s) stopped
T12 << 1462354561.87903810 XC 3D grid (22373.25970s) stopped
T12 >> 1462354561.87909508 Poisson (4604.45289s) started
T12 << 1462354570.69316697 Poisson (4613.26697s) stopped
T12 >> 1462354570.69329095 Hartree integrate/restrict (294.69720s) started
T12 << 1462354570.74041200 Hartree integrate/restrict (294.74432s) stopped
T12 >> 1462354570.74051404 Hartree integrate/restrict (294.74439s) started
T12 << 1462354571.05828905 Hartree integrate/restrict (295.06217s) stopped
T12 >> 1462354571.05838895 Atomic (1889.63411s) started
T12 >> 1462354571.06026411 XC Correction (0.02597s) started
T12 << 1462354571.06028295 XC Correction (0.02599s) stopped
T12 << 1462354573.36766791 Atomic (1891.94338s) stopped
T12 >> 1462354573.36784601 Communicate (10636.84119s) started
T12 << 1462354592.02814198 Communicate (10655.50149s) stopped
T12 << 1462354592.02817106 Hamiltonian (39850.43669s) stopped
T12 >> 1462354592.02819395 LCAO eigensolver (55795.31293s) started
T12 >> 1462354592.02820706 Potential matrix (830.49489s) started
T12 << 1462354593.00358200 Potential matrix (831.47026s) stopped
T12 >> 1462354593.00365210 DistributedAtomicCorrection (355.47082s) started
T12 << 1462354593.43395710 DistributedAtomicCorrection (355.90113s) stopped
T12 >> 1462354593.43400002 Distribute overlap matrix (6541.18877s) started
T12 >> 1462354593.43402791 blocked summation (3656.18642s) started
T12 << 1462354598.20144796 blocked summation (3660.95384s) stopped
T12 >> 1462354598.21127510 Scalapack redistribute (2876.65076s) started
T12 << 1462354601.84620690 Scalapack redistribute (2880.28569s) stopped
T12 << 1462354601.84633708 Distribute overlap matrix (6549.60111s) stopped
T12 >> 1462354601.85037494 Blacs Orbital Layouts (46554.63235s) started
T12 >> 1462354601.85909009 General diagonalize (46370.86557s) started
T12 << 1462354658.15506196 General diagonalize (46427.16154s) stopped
T12 >> 1462354658.15513206 Redistribute coefs (7.11815s) started
T12 << 1462354658.16449594 Redistribute coefs (7.12751s) stopped
T12 >> 1462354658.16453600 Send coefs to domains (168.86352s) started
T12 << 1462354658.27004409 Send coefs to domains (168.96902s) stopped
T12 << 1462354658.27061391 Blacs Orbital Layouts (46611.05259s) stopped
T12 >> 1462354658.27064109 Calculate projections (1509.32866s) started
T12 << 1462354659.99617505 Calculate projections (1511.05419s) stopped
T12 << 1462354659.99652696 LCAO eigensolver (55863.28126s) stopped
T12 >> 1462354663.15241599 Density (13065.76534s) started
T12 >> 1462354663.15243101 Pseudo density (10060.38038s) started
T12 >> 1462354663.15569806 Calculate density matrix (9443.62821s) started
T12 << 1462354675.11918497 Calculate density matrix (9455.59169s) stopped
T12 >> 1462354675.11923194 Construct density (600.79985s) started
T12 << 1462354675.90155101 Construct density (601.58217s) stopped
T12 >> 1462354675.91541910 Symmetrize density (0.06758s) started
T12 << 1462354675.91548109 Symmetrize density (0.06764s) stopped
T12 << 1462354675.91756105 Pseudo density (10073.14551s) stopped
T12 >> 1462354675.91761708 Atomic density matrices (2656.62009s) started
T12 << 1462354679.68170094 Atomic density matrices (2660.38417s) stopped
T12 >> 1462354679.68173409 Multipole moments (10.17941s) started
T12 << 1462354679.69784594 Multipole moments (10.19552s) stopped
T12 >> 1462354679.69787788 Normalize (5.35504s) started
T12 << 1462354679.70435691 Normalize (5.36152s) stopped
T12 >> 1462354679.70443392 Mix (333.16707s) started
T12 << 1462354680.11082602 Mix (333.57346s) stopped
T12 << 1462354680.11089301 Density (13082.72382s) stopped
T12 >> 1462354680.11092091 Hamiltonian (39850.43670s) started
T12 >> 1462354680.11093593 vbar (21.09620s) started
T12 << 1462354680.13824511 vbar (21.12351s) stopped
T12 >> 1462354680.13835907 XC 3D grid (22373.25974s) started
T12 >> 1462354680.65317702 van der Waals (21607.18436s) started
T12 >> 1462354680.76188302 semilocal (4566.86635s) started
T12 << 1462354686.56247807 semilocal (4572.66694s) stopped
T12 >> 1462354686.63976407 redistribute (2319.30329s) started
T12 << 1462354687.63439298 redistribute (2320.29792s) stopped
T12 >> 1462354687.63444996 libvdwxc nonlocal (14570.32235s) started
T12 << 1462354706.00219488 libvdwxc nonlocal (14588.69010s) stopped
T12 >> 1462354706.00225902 redistribute (2320.29795s) started
T12 << 1462354707.73118091 redistribute (2322.02688s) stopped
T12 << 1462354707.73205400 van der Waals (21634.26323s) stopped
T12 << 1462354708.20939398 XC 3D grid (22401.33078s) stopped
T12 >> 1462354708.20944190 Poisson (4613.26706s) started
T12 << 1462354714.01593900 Poisson (4619.07356s) stopped
T12 >> 1462354714.01606894 Hartree integrate/restrict (295.06222s) started
T12 << 1462354714.05741310 Hartree integrate/restrict (295.10356s) stopped
T12 >> 1462354714.05750608 Hartree integrate/restrict (295.10363s) started
T12 << 1462354714.38265991 Hartree integrate/restrict (295.42878s) stopped
T12 >> 1462354714.38274908 Atomic (1891.94340s) started
T12 >> 1462354714.38454199 XC Correction (0.02600s) started
T12 << 1462354714.38456011 XC Correction (0.02602s) stopped
T12 << 1462354716.68758011 Atomic (1894.24824s) stopped
T12 >> 1462354716.68774605 Communicate (10655.50151s) started
T12 << 1462354734.88911295 Communicate (10673.70287s) stopped
T12 << 1462354734.88914895 Hamiltonian (39905.21493s) stopped
T12 >> 1462354734.88917589 LCAO eigensolver (55863.28128s) started
T12 >> 1462354734.88918900 Potential matrix (831.47030s) started
T12 << 1462354735.87072206 Potential matrix (832.45184s) stopped
T12 >> 1462354735.87079310 DistributedAtomicCorrection (355.90116s) started
T12 << 1462354736.30264211 DistributedAtomicCorrection (356.33301s) stopped
T12 >> 1462354736.30270195 Distribute overlap matrix (6549.60112s) started
T12 >> 1462354736.30272293 blocked summation (3660.95387s) started
T12 << 1462354741.08910298 blocked summation (3665.74025s) stopped
T12 >> 1462354741.09887290 Scalapack redistribute (2880.28577s) started
T12 << 1462354744.78165102 Scalapack redistribute (2883.96855s) stopped
T12 << 1462354744.78172708 Distribute overlap matrix (6558.08015s) stopped
T12 >> 1462354744.78662705 Blacs Orbital Layouts (46611.05261s) started
T12 >> 1462354744.79575801 General diagonalize (46427.16160s) started
T12 << 1462354799.78439689 General diagonalize (46482.15024s) stopped
T12 >> 1462354799.78444791 Redistribute coefs (7.12754s) started
T12 << 1462354799.79438806 Redistribute coefs (7.13748s) stopped
T12 >> 1462354799.79443789 Send coefs to domains (168.96906s) started
T12 << 1462354799.89084101 Send coefs to domains (169.06546s) stopped
T12 << 1462354799.89135695 Blacs Orbital Layouts (46666.15734s) stopped
T12 >> 1462354799.89142299 Calculate projections (1511.05424s) started
T12 << 1462354801.63278508 Calculate projections (1512.79561s) stopped
T12 << 1462354801.63325310 LCAO eigensolver (55930.02535s) stopped
T12 >> 1462354804.76823497 Density (13082.72383s) started
T12 >> 1462354804.76825190 Pseudo density (10073.14556s) started
T12 >> 1462354804.77206302 Calculate density matrix (9455.59173s) started
T12 << 1462354816.74663496 Calculate density matrix (9467.56630s) stopped
T12 >> 1462354816.74669099 Construct density (601.58222s) started
T12 << 1462354817.53512192 Construct density (602.37065s) stopped
T12 >> 1462354817.55144811 Symmetrize density (0.06766s) started
T12 << 1462354817.55152512 Symmetrize density (0.06774s) stopped
T12 << 1462354817.55400205 Pseudo density (10085.93131s) stopped
T12 >> 1462354817.55407095 Atomic density matrices (2660.38420s) started
T12 << 1462354821.33748889 Atomic density matrices (2664.16761s) stopped
T12 >> 1462354821.33752704 Multipole moments (10.19554s) started
T12 << 1462354821.35352302 Multipole moments (10.21153s) stopped
T12 >> 1462354821.35355806 Normalize (5.36157s) started
T12 << 1462354821.36287093 Normalize (5.37089s) stopped
T12 >> 1462354821.36291599 Mix (333.57353s) started
T12 << 1462354821.84552097 Mix (334.05613s) stopped
T12 << 1462354821.84557009 Density (13099.80117s) stopped
T12 >> 1462354821.84559703 Hamiltonian (39905.21494s) started
T12 >> 1462354821.84561110 vbar (21.12358s) started
T12 << 1462354821.86751008 vbar (21.14548s) stopped
T12 >> 1462354821.86761594 XC 3D grid (22401.33081s) started
T12 >> 1462354822.39628291 van der Waals (21634.26326s) started
T12 >> 1462354822.51072598 semilocal (4572.66708s) started
T12 << 1462354828.26725197 semilocal (4578.42360s) stopped
T12 >> 1462354828.34238195 redistribute (2322.02694s) started
T12 << 1462354829.38459492 redistribute (2323.06915s) stopped
T12 >> 1462354829.38466311 libvdwxc nonlocal (14588.69015s) started
T12 << 1462354847.42464209 libvdwxc nonlocal (14606.73012s) stopped
T12 >> 1462354847.42472601 redistribute (2323.06919s) started
T12 << 1462354849.60790491 redistribute (2325.25237s) stopped
T12 << 1462354849.60891509 van der Waals (21661.47589s) stopped
T12 << 1462354850.05747890 XC 3D grid (22429.52068s) stopped
T12 >> 1462354850.05754209 Poisson (4619.07366s) started
T12 << 1462354855.96247792 Poisson (4624.97859s) stopped
T12 >> 1462354855.96258092 Hartree integrate/restrict (295.42882s) started
T12 << 1462354856.00289297 Hartree integrate/restrict (295.46914s) stopped
T12 >> 1462354856.00302601 Hartree integrate/restrict (295.46922s) started
T12 << 1462354856.35740089 Hartree integrate/restrict (295.82360s) stopped
T12 >> 1462354856.35751104 Atomic (1894.24826s) started
T12 >> 1462354856.35938191 XC Correction (0.02603s) started
T12 << 1462354856.35939789 XC Correction (0.02605s) stopped
T12 << 1462354858.64317799 Atomic (1896.53393s) stopped
T12 >> 1462354858.64336300 Communicate (10673.70290s) started
T12 << 1462354875.99223089 Communicate (10691.05176s) stopped
T12 << 1462354875.99227405 Hamiltonian (39959.36162s) stopped
T12 >> 1462354875.99232793 LCAO eigensolver (55930.02537s) started
T12 >> 1462354875.99234200 Potential matrix (832.45188s) started
T12 << 1462354876.97993803 Potential matrix (833.43948s) stopped
T12 >> 1462354876.98002005 DistributedAtomicCorrection (356.33305s) started
T12 << 1462354877.43120599 DistributedAtomicCorrection (356.78424s) stopped
T12 >> 1462354877.43127298 Distribute overlap matrix (6558.08016s) started
T12 >> 1462354877.43129802 blocked summation (3665.74028s) started
T12 << 1462354882.12933612 blocked summation (3670.43832s) stopped
T12 >> 1462354882.13860393 Scalapack redistribute (2883.96861s) started
T12 << 1462354885.97340703 Scalapack redistribute (2887.80341s) stopped
T12 << 1462354885.97346902 Distribute overlap matrix (6566.62236s) stopped
T12 >> 1462354885.97838497 Blacs Orbital Layouts (46666.15736s) started
T12 >> 1462354885.98710108 General diagonalize (46482.15028s) started
T12 << 1462354940.57201791 General diagonalize (46536.73519s) stopped
T12 >> 1462354940.57207108 Redistribute coefs (7.13752s) started
T12 << 1462354940.58152390 Redistribute coefs (7.14698s) stopped
T12 >> 1462354940.58157396 Send coefs to domains (169.06550s) started
T12 << 1462354940.75801110 Send coefs to domains (169.24194s) stopped
T12 << 1462354940.75840712 Blacs Orbital Layouts (46720.93738s) stopped
T12 >> 1462354940.75844312 Calculate projections (1512.79567s) started
T12 << 1462354942.49994111 Calculate projections (1514.53717s) stopped
T12 << 1462354942.50014591 LCAO eigensolver (55996.53319s) stopped
T12 >> 1462354945.65466094 Density (13099.80118s) started
T12 >> 1462354945.65467811 Pseudo density (10085.93136s) started
T12 >> 1462354945.65734005 Calculate density matrix (9467.56634s) started
T12 << 1462354957.50414491 Calculate density matrix (9479.41314s) stopped
T12 >> 1462354957.50420308 Construct density (602.37071s) started
T12 << 1462354958.29091001 Construct density (603.15742s) stopped
T12 >> 1462354958.30713892 Symmetrize density (0.06775s) started
T12 << 1462354958.30721307 Symmetrize density (0.06783s) stopped
T12 << 1462354958.30967093 Pseudo density (10098.58635s) stopped
T12 >> 1462354958.30973911 Atomic density matrices (2664.16764s) started
T12 << 1462354962.05969191 Atomic density matrices (2667.91759s) stopped
T12 >> 1462354962.05973196 Multipole moments (10.21155s) started
T12 << 1462354962.07503891 Multipole moments (10.22686s) stopped
T12 >> 1462354962.07507396 Normalize (5.37092s) started
T12 << 1462354962.08284593 Normalize (5.37869s) stopped
T12 >> 1462354962.08289599 Mix (334.05618s) started
T12 << 1462354962.53274393 Mix (334.50603s) stopped
T12 << 1462354962.53280902 Density (13116.67933s) stopped
T12 >> 1462354962.53284407 Hamiltonian (39959.36165s) started
T12 >> 1462354962.53286099 vbar (21.14554s) started
T12 << 1462354962.56693602 vbar (21.17961s) stopped
T12 >> 1462354962.56710505 XC 3D grid (22429.52073s) started
T12 >> 1462354963.04234004 van der Waals (21661.47592s) started
T12 >> 1462354963.15707207 semilocal (4578.42373s) started
T12 << 1462354969.01139903 semilocal (4584.27806s) stopped
T12 >> 1462354969.08926296 redistribute (2325.25241s) started
T12 << 1462354970.03598499 redistribute (2326.19914s) stopped
T12 >> 1462354970.03603601 libvdwxc nonlocal (14606.73019s) started
T12 << 1462354987.93378305 libvdwxc nonlocal (14624.62793s) stopped
T12 >> 1462354987.93388510 redistribute (2326.19917s) started
T12 << 1462354989.92510390 redistribute (2328.19039s) stopped
T12 << 1462354989.92627907 van der Waals (21688.35986s) stopped
T12 << 1462354990.38171005 XC 3D grid (22457.33533s) stopped
T12 >> 1462354990.38175893 Poisson (4624.97867s) started
T12 << 1462354994.77694201 Poisson (4629.37385s) stopped
T12 >> 1462354994.77702904 Hartree integrate/restrict (295.82366s) started
T12 << 1462354994.81502604 Hartree integrate/restrict (295.86165s) stopped
T12 >> 1462354994.81509805 Hartree integrate/restrict (295.86170s) started
T12 << 1462354995.15284395 Hartree integrate/restrict (296.19944s) stopped
T12 >> 1462354995.15295410 Atomic (1896.53395s) started
T12 >> 1462354995.15486193 XC Correction (0.02606s) started
T12 << 1462354995.15487695 XC Correction (0.02607s) stopped
T12 << 1462354997.46828890 Atomic (1898.84929s) stopped
T12 >> 1462354997.46846509 Communicate (10691.05179s) started
T12 << 1462355014.85763407 Communicate (10708.44096s) stopped
T12 << 1462355014.85767102 Hamiltonian (40011.68648s) stopped
T12 >> 1462355014.85769606 LCAO eigensolver (55996.53321s) started
T12 >> 1462355014.85770988 Potential matrix (833.43952s) started
T12 << 1462355015.84819698 Potential matrix (834.43001s) stopped
T12 >> 1462355015.84827805 DistributedAtomicCorrection (356.78428s) started
T12 << 1462355016.29055190 DistributedAtomicCorrection (357.22655s) stopped
T12 >> 1462355016.29061604 Distribute overlap matrix (6566.62237s) started
T12 >> 1462355016.29064012 blocked summation (3670.43836s) started
T12 << 1462355020.98801208 blocked summation (3675.13573s) stopped
T12 >> 1462355020.99719691 Scalapack redistribute (2887.80345s) started
T12 << 1462355024.74165702 Scalapack redistribute (2891.54791s) stopped
T12 << 1462355024.74171996 Distribute overlap matrix (6575.07347s) stopped
T12 >> 1462355024.74665189 Blacs Orbital Layouts (46720.93740s) started
T12 >> 1462355024.75544095 General diagonalize (46536.73524s) started
T12 << 1462355080.55002689 General diagonalize (46592.52982s) stopped
T12 >> 1462355080.55007911 Redistribute coefs (7.14701s) started
T12 << 1462355080.55974793 Redistribute coefs (7.15668s) stopped
T12 >> 1462355080.55979609 Send coefs to domains (169.24197s) started
T12 << 1462355080.68222308 Send coefs to domains (169.36440s) stopped
T12 << 1462355080.68261790 Blacs Orbital Layouts (46776.87337s) stopped
T12 >> 1462355080.68269110 Calculate projections (1514.53722s) started
T12 << 1462355082.42332006 Calculate projections (1516.27785s) stopped
T12 << 1462355082.42352700 LCAO eigensolver (56064.09904s) stopped
T12 >> 1462355085.58011198 Density (13116.67934s) started
T12 >> 1462355085.58012795 Pseudo density (10098.58641s) started
T12 >> 1462355085.58317208 Calculate density matrix (9479.41318s) started
T12 << 1462355097.65853000 Calculate density matrix (9491.48854s) stopped
T12 >> 1462355097.65858603 Construct density (603.15748s) started
T12 << 1462355098.44424009 Construct density (603.94313s) stopped
T12 >> 1462355098.46032810 Symmetrize density (0.06785s) started
T12 << 1462355098.46040297 Symmetrize density (0.06792s) stopped
T12 << 1462355098.46286392 Pseudo density (10111.46914s) stopped
T12 >> 1462355098.46293211 Atomic density matrices (2667.91762s) started
T12 << 1462355102.23546910 Atomic density matrices (2671.69016s) stopped
T12 >> 1462355102.23550701 Multipole moments (10.22687s) started
T12 << 1462355102.25068593 Multipole moments (10.24205s) stopped
T12 >> 1462355102.25072002 Normalize (5.37873s) started
T12 << 1462355102.25979304 Normalize (5.38780s) stopped
T12 >> 1462355102.25986099 Mix (334.50609s) started
T12 << 1462355102.70402694 Mix (334.95026s) stopped
T12 << 1462355102.70407796 Density (13133.80331s) stopped
T12 >> 1462355102.70410490 Hamiltonian (40011.68649s) started
T12 >> 1462355102.70412111 vbar (21.17971s) started
T12 << 1462355102.73717594 vbar (21.21276s) stopped
T12 >> 1462355102.73726797 XC 3D grid (22457.33537s) started
T12 >> 1462355103.22372603 van der Waals (21688.35990s) started
T12 >> 1462355103.33534408 semilocal (4584.27811s) started
T12 << 1462355109.13140988 semilocal (4590.07417s) stopped
T12 >> 1462355109.20666099 redistribute (2328.19046s) started
T12 << 1462355110.20927811 redistribute (2329.19308s) stopped
T12 >> 1462355110.20933008 libvdwxc nonlocal (14624.62802s) started
T12 << 1462355128.09272099 libvdwxc nonlocal (14642.51141s) stopped
T12 >> 1462355128.09282899 redistribute (2329.19314s) started
T12 << 1462355130.06784701 redistribute (2331.16816s) stopped
T12 << 1462355130.06905293 van der Waals (21715.20523s) stopped
T12 << 1462355130.53008795 XC 3D grid (22485.12819s) stopped
T12 >> 1462355130.53015590 Poisson (4629.37392s) started
T12 << 1462355134.96100998 Poisson (4633.80477s) stopped
T12 >> 1462355134.96116900 Hartree integrate/restrict (296.19950s) started
T12 << 1462355135.00016499 Hartree integrate/restrict (296.23850s) stopped
T12 >> 1462355135.00030899 Hartree integrate/restrict (296.23859s) started
T12 << 1462355135.32522392 Hartree integrate/restrict (296.56351s) stopped
T12 >> 1462355135.32532096 Atomic (1898.84931s) started
T12 >> 1462355135.32744408 XC Correction (0.02609s) started
T12 << 1462355135.32746601 XC Correction (0.02611s) stopped
T12 << 1462355137.64124894 Atomic (1901.16524s) stopped
T12 >> 1462355137.64142108 Communicate (10708.44099s) started
T12 << 1462355155.01663589 Communicate (10725.81620s) stopped
T12 << 1462355155.01667190 Hamiltonian (40063.99906s) stopped
T12 >> 1462355155.01669788 LCAO eigensolver (56064.09906s) started
T12 >> 1462355155.01671100 Potential matrix (834.43005s) started
T12 << 1462355155.99747992 Potential matrix (835.41082s) stopped
T12 >> 1462355155.99756098 DistributedAtomicCorrection (357.22659s) started
T12 << 1462355156.43286991 DistributedAtomicCorrection (357.66190s) stopped
T12 >> 1462355156.43293095 Distribute overlap matrix (6575.07349s) started
T12 >> 1462355156.43295503 blocked summation (3675.13576s) started
T12 << 1462355161.17849708 blocked summation (3679.88131s) stopped
T12 >> 1462355161.18750501 Scalapack redistribute (2891.54795s) started
T12 << 1462355165.03498793 Scalapack redistribute (2895.39544s) stopped
T12 << 1462355165.03507590 Distribute overlap matrix (6583.67563s) stopped
T12 >> 1462355165.03957510 Blacs Orbital Layouts (46776.87339s) started
T12 >> 1462355165.04866505 General diagonalize (46592.52987s) started
T12 << 1462355218.23636889 General diagonalize (46645.71757s) stopped
T12 >> 1462355218.23641992 Redistribute coefs (7.15672s) started
T12 << 1462355218.24591398 Redistribute coefs (7.16621s) stopped
T12 >> 1462355218.24596310 Send coefs to domains (169.36444s) started
T12 << 1462355218.36976695 Send coefs to domains (169.48824s) stopped
T12 << 1462355218.37014794 Blacs Orbital Layouts (46830.20396s) stopped
T12 >> 1462355218.37021303 Calculate projections (1516.27791s) started
T12 << 1462355220.11092305 Calculate projections (1518.01862s) stopped
T12 << 1462355220.11113000 LCAO eigensolver (56129.19349s) stopped
T12 >> 1462355223.27160096 Density (13133.80332s) started
T12 >> 1462355223.27161694 Pseudo density (10111.46920s) started
T12 >> 1462355223.27446008 Calculate density matrix (9491.48858s) started
T12 << 1462355235.12922502 Calculate density matrix (9503.34334s) stopped
T12 >> 1462355235.12928104 Construct density (603.94319s) started
T12 << 1462355235.91458392 Construct density (604.72849s) stopped
T12 >> 1462355235.93066001 Symmetrize density (0.06794s) started
T12 << 1462355235.93073297 Symmetrize density (0.06801s) stopped
T12 << 1462355235.93319607 Pseudo density (10124.13078s) stopped
T12 >> 1462355235.93326306 Atomic density matrices (2671.69019s) started
T12 << 1462355239.67174506 Atomic density matrices (2675.42867s) stopped
T12 >> 1462355239.67178512 Multipole moments (10.24207s) started
T12 << 1462355239.68775296 Multipole moments (10.25804s) stopped
T12 >> 1462355239.68778706 Normalize (5.38785s) started
T12 << 1462355239.69547892 Normalize (5.39554s) stopped
T12 >> 1462355239.69552398 Mix (334.95031s) started
T12 << 1462355240.16266489 Mix (335.41745s) stopped
T12 << 1462355240.16271996 Density (13150.69444s) stopped
T12 >> 1462355240.16275001 Hamiltonian (40063.99907s) started
T12 >> 1462355240.16276693 vbar (21.21281s) started
T12 << 1462355240.18421793 vbar (21.23426s) stopped
T12 >> 1462355240.18433690 XC 3D grid (22485.12825s) started
T12 >> 1462355240.69750810 van der Waals (21715.20527s) started
T12 >> 1462355240.81065607 semilocal (4590.07423s) started
T12 << 1462355246.52663708 semilocal (4595.79021s) stopped
T12 >> 1462355246.60428691 redistribute (2331.16823s) started
T12 << 1462355247.68146706 redistribute (2332.24541s) stopped
T12 >> 1462355247.68154097 libvdwxc nonlocal (14642.51147s) started
T12 << 1462355266.06363297 libvdwxc nonlocal (14660.89356s) stopped
T12 >> 1462355266.06370306 redistribute (2332.24547s) started
T12 << 1462355268.06399488 redistribute (2334.24576s) stopped
T12 << 1462355268.06533408 van der Waals (21742.57310s) stopped
T12 << 1462355268.51545310 XC 3D grid (22513.45936s) stopped
T12 >> 1462355268.51550293 Poisson (4633.80490s) started
T12 << 1462355272.90885997 Poisson (4638.19826s) stopped
T12 >> 1462355272.90895700 Hartree integrate/restrict (296.56356s) started
T12 << 1462355272.94720411 Hartree integrate/restrict (296.60181s) stopped
T12 >> 1462355272.94729400 Hartree integrate/restrict (296.60186s) started
T12 << 1462355273.27629399 Hartree integrate/restrict (296.93086s) stopped
T12 >> 1462355273.27639198 Atomic (1901.16526s) started
T12 >> 1462355273.27829289 XC Correction (0.02612s) started
T12 << 1462355273.27831101 XC Correction (0.02614s) stopped
T12 << 1462355275.58615398 Atomic (1903.47503s) stopped
T12 >> 1462355275.58631897 Communicate (10725.81623s) started
T12 << 1462355292.93020296 Communicate (10743.16011s) stopped
T12 << 1462355292.93024397 Hamiltonian (40116.76657s) stopped
T12 >> 1462355292.93026996 LCAO eigensolver (56129.19351s) started
T12 >> 1462355292.93028307 Potential matrix (835.41087s) started
T12 << 1462355293.91128397 Potential matrix (836.39187s) stopped
T12 >> 1462355293.91136503 DistributedAtomicCorrection (357.66194s) started
T12 << 1462355294.35207701 DistributedAtomicCorrection (358.10265s) stopped
T12 >> 1462355294.35213900 Distribute overlap matrix (6583.67565s) started
T12 >> 1462355294.35216403 blocked summation (3679.88134s) started
T12 << 1462355299.09165311 blocked summation (3684.62083s) stopped
T12 >> 1462355299.10077310 Scalapack redistribute (2895.39550s) started
T12 << 1462355302.87853193 Scalapack redistribute (2899.17326s) stopped
T12 << 1462355302.87861490 Distribute overlap matrix (6592.20212s) stopped
T12 >> 1462355302.88322401 Blacs Orbital Layouts (46830.20398s) started
T12 >> 1462355302.89267111 General diagonalize (46645.71761s) started
T12 << 1462355357.81267309 General diagonalize (46700.63762s) stopped
T12 >> 1462355357.81272507 Redistribute coefs (7.16625s) started
T12 << 1462355357.82215595 Redistribute coefs (7.17568s) stopped
T12 >> 1462355357.82220507 Send coefs to domains (169.48828s) started
T12 << 1462355358.03985000 Send coefs to domains (169.70593s) stopped
T12 << 1462355358.04029298 Blacs Orbital Layouts (46885.36105s) stopped
T12 >> 1462355358.04032803 Calculate projections (1518.01867s) started
T12 << 1462355359.78191090 Calculate projections (1519.76025s) stopped
T12 << 1462355359.78211498 LCAO eigensolver (56196.04536s) stopped
T12 >> 1462355362.93384695 Density (13150.69446s) started
T12 >> 1462355362.93386412 Pseudo density (10124.13083s) started
T12 >> 1462355362.93653989 Calculate density matrix (9503.34338s) started
T12 << 1462355374.85929108 Calculate density matrix (9515.26613s) stopped
T12 >> 1462355374.85934711 Construct density (604.72855s) started
T12 << 1462355375.64702296 Construct density (605.51622s) stopped
T12 >> 1462355375.66326904 Symmetrize density (0.06804s) started
T12 << 1462355375.66334200 Symmetrize density (0.06811s) stopped
T12 << 1462355375.66579795 Pseudo density (10136.86276s) stopped
T12 >> 1462355375.66586709 Atomic density matrices (2675.42870s) started
T12 << 1462355379.37120104 Atomic density matrices (2679.13403s) stopped
T12 >> 1462355379.37123895 Multipole moments (10.25805s) started
T12 << 1462355379.38655496 Multipole moments (10.27337s) stopped
T12 >> 1462355379.38659096 Normalize (5.39557s) started
T12 << 1462355379.39339590 Normalize (5.40238s) stopped
T12 >> 1462355379.39344001 Mix (335.41750s) started
T12 << 1462355379.82999897 Mix (335.85406s) stopped
T12 << 1462355379.83005810 Density (13167.59067s) stopped
T12 >> 1462355379.83008695 Hamiltonian (40116.76658s) started
T12 >> 1462355379.83010197 vbar (21.23433s) started
T12 << 1462355379.86041403 vbar (21.26464s) stopped
T12 >> 1462355379.86064506 XC 3D grid (22513.45940s) started
T12 >> 1462355380.33471489 van der Waals (21742.57313s) started
T12 >> 1462355380.45011806 semilocal (4595.79032s) started
T12 << 1462355386.20717192 semilocal (4601.54738s) stopped
T12 >> 1462355386.28016305 redistribute (2334.24580s) started
T12 << 1462355387.30966401 redistribute (2335.27530s) stopped
T12 >> 1462355387.30971408 libvdwxc nonlocal (14660.89362s) started
T12 << 1462355405.24471307 libvdwxc nonlocal (14678.82862s) stopped
T12 >> 1462355405.24477291 redistribute (2335.27534s) started
T12 << 1462355407.16517901 redistribute (2337.19575s) stopped
T12 << 1462355407.16622305 van der Waals (21769.40464s) stopped
T12 << 1462355407.62088799 XC 3D grid (22541.21964s) stopped
T12 >> 1462355407.62095499 Poisson (4638.19833s) started
T12 << 1462355411.97315407 Poisson (4642.55053s) stopped
T12 >> 1462355411.97324896 Hartree integrate/restrict (296.93091s) started
T12 << 1462355412.01358104 Hartree integrate/restrict (296.97124s) stopped
T12 >> 1462355412.01367497 Hartree integrate/restrict (296.97130s) started
T12 << 1462355412.33703208 Hartree integrate/restrict (297.29466s) stopped
T12 >> 1462355412.33714008 Atomic (1903.47505s) started
T12 >> 1462355412.33904004 XC Correction (0.02615s) started
T12 << 1462355412.33905411 XC Correction (0.02617s) stopped
T12 << 1462355414.65338206 Atomic (1905.79129s) stopped
T12 >> 1462355414.65353703 Communicate (10743.16014s) started
T12 << 1462355431.94732189 Communicate (10760.45392s) stopped
T12 << 1462355431.94736290 Hamiltonian (40168.88386s) stopped
T12 >> 1462355431.94739008 LCAO eigensolver (56196.04538s) started
T12 >> 1462355431.94740391 Potential matrix (836.39191s) started
T12 << 1462355432.93333292 Potential matrix (837.37784s) stopped
T12 >> 1462355432.93341494 DistributedAtomicCorrection (358.10269s) started
T12 << 1462355433.37928891 DistributedAtomicCorrection (358.54856s) stopped
T12 >> 1462355433.37935209 Distribute overlap matrix (6592.20214s) started
T12 >> 1462355433.37937593 blocked summation (3684.62087s) started
T12 << 1462355438.09741211 blocked summation (3689.33890s) stopped
T12 >> 1462355438.10702491 Scalapack redistribute (2899.17332s) started
T12 << 1462355441.90151501 Scalapack redistribute (2902.96781s) stopped
T12 << 1462355441.90163898 Distribute overlap matrix (6600.72442s) stopped
T12 >> 1462355441.90640497 Blacs Orbital Layouts (46885.36107s) started
T12 >> 1462355441.91531992 General diagonalize (46700.63766s) started
T12 << 1462355496.65549302 General diagonalize (46755.37783s) stopped
T12 >> 1462355496.65554404 Redistribute coefs (7.17572s) started
T12 << 1462355496.66521406 Redistribute coefs (7.18539s) stopped
T12 >> 1462355496.66526604 Send coefs to domains (169.70597s) started
T12 << 1462355496.79896307 Send coefs to domains (169.83966s) stopped
T12 << 1462355496.79931688 Blacs Orbital Layouts (46940.25398s) stopped
T12 >> 1462355496.79938293 Calculate projections (1519.76031s) started
T12 << 1462355498.53989601 Calculate projections (1521.50082s) stopped
T12 << 1462355498.54029393 LCAO eigensolver (56262.63828s) stopped
T12 >> 1462355501.70110607 Density (13167.59068s) started
T12 >> 1462355501.70112205 Pseudo density (10136.86282s) started
T12 >> 1462355501.70375800 Calculate density matrix (9515.26617s) started
T12 << 1462355513.72007394 Calculate density matrix (9527.28249s) stopped
T12 >> 1462355513.72013092 Construct density (605.51628s) started
T12 << 1462355514.50422692 Construct density (606.30038s) stopped
T12 >> 1462355514.52089500 Symmetrize density (0.06813s) started
T12 << 1462355514.52096796 Symmetrize density (0.06820s) stopped
T12 << 1462355514.52342510 Pseudo density (10149.68512s) stopped
T12 >> 1462355514.52349091 Atomic density matrices (2679.13406s) started
T12 << 1462355518.28067207 Atomic density matrices (2682.89124s) stopped
T12 >> 1462355518.28070998 Multipole moments (10.27339s) started
T12 << 1462355518.29668403 Multipole moments (10.28936s) stopped
T12 >> 1462355518.29671788 Normalize (5.40241s) started
T12 << 1462355518.30352092 Normalize (5.40921s) stopped
T12 >> 1462355518.30356789 Mix (335.85412s) started
T12 << 1462355518.77579999 Mix (336.32635s) stopped
T12 << 1462355518.77584291 Density (13184.66542s) stopped
T12 >> 1462355518.77587199 Hamiltonian (40168.88387s) started
T12 >> 1462355518.77588892 vbar (21.26476s) started
T12 << 1462355518.80339098 vbar (21.29227s) stopped
T12 >> 1462355518.80351090 XC 3D grid (22541.21969s) started
T12 >> 1462355519.28425193 van der Waals (21769.40467s) started
T12 >> 1462355519.39826798 semilocal (4601.54750s) started
T12 << 1462355525.14030790 semilocal (4607.28954s) stopped
T12 >> 1462355525.21426392 redistribute (2337.19579s) started
T12 << 1462355526.27432704 redistribute (2338.25585s) stopped
T12 >> 1462355526.27441096 libvdwxc nonlocal (14678.82866s) started
T12 << 1462355544.58882999 libvdwxc nonlocal (14697.14308s) stopped
T12 >> 1462355544.58890700 redistribute (2338.25591s) started
T12 << 1462355546.66319489 redistribute (2340.33020s) stopped
T12 << 1462355546.66413593 van der Waals (21796.78456s) stopped
T12 << 1462355547.12519097 XC 3D grid (22569.54137s) stopped
T12 >> 1462355547.12524009 Poisson (4642.55060s) started
T12 << 1462355550.05069709 Poisson (4645.47605s) stopped
T12 >> 1462355550.05079889 Hartree integrate/restrict (297.29471s) started
T12 << 1462355550.08855605 Hartree integrate/restrict (297.33247s) stopped
T12 >> 1462355550.08864188 Hartree integrate/restrict (297.33252s) started
T12 << 1462355550.41671610 Hartree integrate/restrict (297.66060s) stopped
T12 >> 1462355550.41683507 Atomic (1905.79132s) started
T12 >> 1462355550.41884589 XC Correction (0.02618s) started
T12 << 1462355550.41887403 XC Correction (0.02621s) stopped
T12 << 1462355552.72327495 Atomic (1908.09776s) stopped
T12 >> 1462355552.72342205 Communicate (10760.45395s) started
T12 << 1462355570.14081907 Communicate (10777.87135s) stopped
T12 << 1462355570.14085889 Hamiltonian (40220.24886s) stopped
T12 >> 1462355570.14088511 LCAO eigensolver (56262.63830s) started
T12 >> 1462355570.14089799 Potential matrix (837.37789s) started
T12 << 1462355571.12218595 Potential matrix (838.35918s) stopped
T12 >> 1462355571.12226510 DistributedAtomicCorrection (358.54860s) started
T12 << 1462355571.56482601 DistributedAtomicCorrection (358.99116s) stopped
T12 >> 1462355571.56488991 Distribute overlap matrix (6600.72443s) started
T12 >> 1462355571.56491590 blocked summation (3689.33894s) started
T12 << 1462355576.28508091 blocked summation (3694.05910s) stopped
T12 >> 1462355576.29487109 Scalapack redistribute (2902.96787s) started
T12 << 1462355580.10741806 Scalapack redistribute (2906.78042s) stopped
T12 << 1462355580.10751796 Distribute overlap matrix (6609.26706s) stopped
T12 >> 1462355580.11213207 Blacs Orbital Layouts (46940.25400s) started
T12 >> 1462355580.12122607 General diagonalize (46755.37787s) started
T12 << 1462355635.61272097 General diagonalize (46810.86937s) stopped
T12 >> 1462355635.61277604 Redistribute coefs (7.18543s) started
T12 << 1462355635.62245989 Redistribute coefs (7.19511s) stopped
T12 >> 1462355635.62251091 Send coefs to domains (169.83970s) started
T12 << 1462355635.78003812 Send coefs to domains (169.99723s) stopped
T12 << 1462355635.78068900 Blacs Orbital Layouts (46995.92256s) stopped
T12 >> 1462355635.78072500 Calculate projections (1521.50087s) started
T12 << 1462355637.52188206 Calculate projections (1523.24203s) stopped
T12 << 1462355637.52226996 LCAO eigensolver (56330.01969s) stopped
T12 << 1462355640.67844105 SCF-cycle (112466.20363s) stopped
T12 >> 1462355642.80165696 Force calculation (5392.47594s) started
T12 >> 1462355642.80175495 LCAO forces (5334.27296s) started
T12 >> 1462355642.80214500 Initial (0.00154s) started
T12 << 1462355642.80215693 Initial (0.00155s) stopped
T12 >> 1462355642.80906105 Get density matrix (2767.46142s) started
T12 << 1462355651.96722388 Get density matrix (2776.61958s) stopped
T12 >> 1462355651.96727395 Potential (419.31913s) started
T12 << 1462355658.24279499 Potential (425.59465s) stopped
T12 >> 1462355658.24285793 Get density matrix (2776.61962s) started
T12 << 1462355690.18713403 Get density matrix (2808.56389s) stopped
T12 >> 1462355690.18721509 Prepare TCI loop (149.76929s) started
T12 >> 1462355690.18782401 Get neighbors (132.92493s) started
T12 << 1462355692.27455306 Get neighbors (135.01166s) stopped
T12 >> 1462355692.27488804 broadcast dH (16.76288s) started
T12 << 1462355692.62428999 broadcast dH (17.11228s) stopped
T12 << 1462355692.62433791 Prepare TCI loop (152.20641s) stopped
T12 >> 1462355692.62435889 Not so complicated loop (8.13111s) started
T12 << 1462355692.75066805 Not so complicated loop (8.25742s) stopped
T12 >> 1462355692.87873507 Complicated loop (1292.76066s) started
T12 << 1462355712.94754910 Complicated loop (1312.82947s) stopped
T12 >> 1462355712.95018911 Wait for sum (687.99491s) started
T12 << 1462355724.16816401 Wait for sum (699.21289s) stopped
T12 << 1462355724.16820097 LCAO forces (5415.63941s) stopped
T12 << 1462355725.06682801 Force calculation (5474.74111s) stopped
T12 >> 1462355725.08504295 Initialization (9052.07525s) started
T12 << 1462355725.08522105 Initialization (9052.07542s) stopped
T12 >> 1462355725.08546305 Initialization (9052.07544s) started
T12 << 1462355725.08559990 Initialization (9052.07558s) stopped
T12 >> 1462355725.08573890 Initialization (9052.07559s) started
T12 << 1462355725.08587599 Initialization (9052.07573s) stopped
T12 >> 1462355745.39324999 Initialization (9052.07575s) started
T12 >> 1462355745.49949694 Basic WFS set positions (6.13288s) started
T12 >> 1462355745.49952507 Redistribute (0.02012s) started
T12 << 1462355745.49966693 Redistribute (0.02026s) stopped
T12 << 1462355745.59123707 Basic WFS set positions (6.22462s) stopped
T12 >> 1462355745.59127092 Basis functions set positions (129.54223s) started
T12 << 1462355747.64341903 Basis functions set positions (131.59438s) stopped
T12 >> 1462355747.64396095 TCI: Calculate S, T, P (1067.76229s) started
T12 << 1462355763.40848303 TCI: Calculate S, T, P (1083.52681s) stopped
T12 >> 1462355763.40854311 blocked summation (1810.43381s) started
T12 << 1462355798.06364608 blocked summation (1845.08891s) stopped
T12 >> 1462355798.07296205 Scalapack redistribute (646.21941s) started
T12 << 1462355805.66453600 Scalapack redistribute (653.81098s) stopped
T12 >> 1462355805.66563392 blocked summation (1845.08895s) started
T12 << 1462355806.73873711 blocked summation (1846.16205s) stopped
T12 >> 1462355806.74814200 Scalapack redistribute (653.81105s) started
T12 << 1462355807.02121902 Scalapack redistribute (654.08413s) stopped
T12 >> 1462355807.02345991 Redistribute (0.12826s) started
T12 << 1462355807.02400494 Redistribute (0.12881s) stopped
T12 >> 1462355808.82939911 Redistribute (0.12882s) started
T12 << 1462355808.82988191 Redistribute (0.12931s) stopped
T12 >> 1462355808.84619594 LCAO WFS Initialize (5256.57960s) started
T12 >> 1462355808.84625697 Density initialize from wavefunctions (991.84136s) started
T12 >> 1462355808.85085011 Calculate density matrix (683.14481s) started
T12 << 1462355818.75300503 Calculate density matrix (693.04696s) stopped
T12 >> 1462355818.75306296 Construct density (52.51898s) started
T12 << 1462355819.53933406 Construct density (53.30525s) stopped
T12 >> 1462355819.55286193 Symmetrize density (0.00572s) started
T12 << 1462355819.55293298 Symmetrize density (0.00579s) stopped
T12 << 1462355823.48077512 Density initialize from wavefunctions (1006.47588s) stopped
T12 >> 1462355823.48114491 Hamiltonian (4263.80243s) started
T12 >> 1462355823.48116493 vbar (1.93831s) started
T12 << 1462355823.50438309 vbar (1.96153s) stopped
T12 >> 1462355823.50449300 XC 3D grid (1989.81278s) started
T12 >> 1462355824.02792096 van der Waals (1922.08632s) started
T12 >> 1462355824.14131904 semilocal (405.35155s) started
T12 << 1462355829.94332409 semilocal (411.15355s) stopped
T12 >> 1462355830.01880503 redistribute (215.53645s) started
T12 << 1462355831.01205707 redistribute (216.52971s) stopped
T12 >> 1462355831.01210999 libvdwxc nonlocal (1287.78957s) started
T12 << 1462355849.91642308 libvdwxc nonlocal (1306.69388s) stopped
T12 >> 1462355849.91650701 redistribute (216.52975s) started
T12 << 1462355852.16129088 redistribute (218.77453s) stopped
T12 << 1462355852.16240096 van der Waals (1950.22080s) stopped
T12 << 1462355852.63289189 XC 3D grid (2018.94117s) stopped
T12 >> 1462355852.63296199 Poisson (987.85823s) started
T12 << 1462355865.89640689 Poisson (1001.12168s) stopped
T12 >> 1462355865.89648890 Hartree integrate/restrict (26.19430s) started
T12 << 1462355865.93510795 Hartree integrate/restrict (26.23292s) stopped
T12 >> 1462355865.93520403 Hartree integrate/restrict (26.23298s) started
T12 << 1462355866.28157902 Hartree integrate/restrict (26.57935s) stopped
T12 >> 1462355866.28169107 Atomic (166.07960s) started
T12 >> 1462355866.28407598 XC Correction (0.00250s) started
T12 << 1462355866.28409696 XC Correction (0.00252s) stopped
T12 << 1462355868.60998797 Atomic (168.40790s) stopped
T12 >> 1462355868.61018109 Communicate (1091.86594s) started
T12 << 1462355887.65638304 Communicate (1110.91214s) stopped
T12 << 1462355887.65642405 Hamiltonian (4327.97771s) stopped
T12 << 1462355887.65643811 LCAO WFS Initialize (5335.38985s) stopped
T12 << 1462355887.66886806 Initialization (9194.35137s) stopped
T12 >> 1462355887.69570589 SCF-cycle (112466.20365s) started
T12 >> 1462355887.69574594 LCAO eigensolver (56330.01971s) started
T12 >> 1462355887.69576001 Potential matrix (838.35922s) started
T12 << 1462355888.67546797 Potential matrix (839.33893s) stopped
T12 >> 1462355888.67555094 DistributedAtomicCorrection (358.99120s) started
T12 << 1462355889.12410808 DistributedAtomicCorrection (359.43976s) stopped
T12 >> 1462355889.12415695 Distribute overlap matrix (6609.26708s) started
T12 >> 1462355889.12418890 blocked summation (3694.05914s) started
T12 << 1462355894.03812194 blocked summation (3698.97307s) stopped
T12 >> 1462355894.04791999 Scalapack redistribute (2906.78046s) started
T12 << 1462355897.59963894 Scalapack redistribute (2910.33218s) stopped
T12 << 1462355897.59973788 Distribute overlap matrix (6617.74266s) stopped
T12 >> 1462355897.60414290 Blacs Orbital Layouts (46995.92258s) started
T12 >> 1462355897.61266398 General diagonalize (46810.86941s) started
T12 << 1462355953.40215111 General diagonalize (46866.65890s) stopped
T12 >> 1462355953.40223789 Redistribute coefs (7.19515s) started
T12 << 1462355953.41154790 Redistribute coefs (7.20446s) stopped
T12 >> 1462355953.41159892 Send coefs to domains (169.99727s) started
T12 << 1462355953.55394197 Send coefs to domains (170.13961s) stopped
T12 << 1462355953.55432796 Blacs Orbital Layouts (47051.87276s) stopped
T12 >> 1462355953.55435705 Calculate projections (1523.24208s) started
T12 << 1462355955.29664898 Calculate projections (1524.98437s) stopped
T12 << 1462355955.29708600 LCAO eigensolver (56397.62105s) stopped
T12 >> 1462355958.42301989 Density (13184.66543s) started
T12 >> 1462355958.42303491 Pseudo density (10149.68517s) started
T12 >> 1462355958.42550111 Calculate density matrix (9527.28253s) started
T12 << 1462355970.46137309 Calculate density matrix (9539.31840s) stopped
T12 >> 1462355970.46142912 Construct density (606.30043s) started
T12 << 1462355971.25066209 Construct density (607.08967s) stopped
T12 >> 1462355971.26457906 Symmetrize density (0.06822s) started
T12 << 1462355971.26465702 Symmetrize density (0.06830s) stopped
T12 << 1462355971.26667404 Pseudo density (10162.52881s) stopped
T12 >> 1462355971.26674294 Atomic density matrices (2682.89127s) started
T12 << 1462355974.86099195 Atomic density matrices (2686.48552s) stopped
T12 >> 1462355974.86102796 Multipole moments (10.28938s) started
T12 << 1462355974.87710309 Multipole moments (10.30545s) stopped
T12 >> 1462355974.87712789 Normalize (5.40924s) started
T12 << 1462355974.88333797 Normalize (5.41545s) stopped
T12 >> 1462355974.88345194 Mix (336.32639s) started
T12 << 1462355975.20855999 Mix (336.65150s) stopped
T12 << 1462355975.20863199 Density (13201.45104s) stopped
T12 >> 1462355975.20866489 Hamiltonian (40220.24887s) started
T12 >> 1462355975.20868206 vbar (21.29233s) started
T12 << 1462355975.23666501 vbar (21.32031s) stopped
T12 >> 1462355975.23677397 XC 3D grid (22569.54141s) started
T12 >> 1462355975.79893088 van der Waals (21796.78460s) started
T12 >> 1462355975.91011906 semilocal (4607.28964s) started
T12 << 1462355981.70494008 semilocal (4613.08446s) stopped
T12 >> 1462355981.77732491 redistribute (2340.33026s) started
T12 << 1462355982.76609707 redistribute (2341.31904s) stopped
T12 >> 1462355982.76614904 libvdwxc nonlocal (14697.14314s) started
T12 << 1462356000.84442210 libvdwxc nonlocal (14715.22141s) stopped
T12 >> 1462356000.84450507 redistribute (2341.31908s) started
T12 << 1462356002.88961005 redistribute (2343.36418s) stopped
T12 << 1462356002.89087391 van der Waals (21823.87654s) stopped
T12 << 1462356003.36074996 XC 3D grid (22597.66539s) stopped
T12 >> 1462356003.36079693 Poisson (4645.47613s) started
T12 << 1462356009.13934588 Poisson (4651.25468s) stopped
T12 >> 1462356009.13943696 Hartree integrate/restrict (297.66066s) started
T12 << 1462356009.18059897 Hartree integrate/restrict (297.70182s) stopped
T12 >> 1462356009.18069506 Hartree integrate/restrict (297.70187s) started
T12 << 1462356009.51165795 Hartree integrate/restrict (298.03284s) stopped
T12 >> 1462356009.51176691 Atomic (1908.09778s) started
T12 >> 1462356009.51381898 XC Correction (0.02622s) started
T12 << 1462356009.51383805 XC Correction (0.02624s) stopped
T12 << 1462356011.83153391 Atomic (1910.41755s) stopped
T12 >> 1462356011.83173609 Communicate (10777.87137s) started
T12 << 1462356030.87237811 Communicate (10796.91202s) stopped
T12 << 1462356030.87241912 Hamiltonian (40275.91262s) stopped
T12 >> 1462356030.87244606 LCAO eigensolver (56397.62107s) started
T12 >> 1462356030.87245893 Potential matrix (839.33897s) started
T12 << 1462356031.85824800 Potential matrix (840.32476s) stopped
T12 >> 1462356031.85833097 DistributedAtomicCorrection (359.43980s) started
T12 << 1462356032.31007409 DistributedAtomicCorrection (359.89154s) stopped
T12 >> 1462356032.31012297 Distribute overlap matrix (6617.74267s) started
T12 >> 1462356032.31015491 blocked summation (3698.97311s) started
T12 << 1462356037.18462205 blocked summation (3703.84758s) stopped
T12 >> 1462356037.19427800 Scalapack redistribute (2910.33225s) started
T12 << 1462356040.83715010 Scalapack redistribute (2913.97512s) stopped
T12 << 1462356040.83724999 Distribute overlap matrix (6626.26980s) stopped
T12 >> 1462356040.84146094 Blacs Orbital Layouts (47051.87278s) started
T12 >> 1462356040.84996295 General diagonalize (46866.65897s) started
T12 << 1462356096.50651312 General diagonalize (46922.31552s) stopped
T12 >> 1462356096.50660110 Redistribute coefs (7.20450s) started
T12 << 1462356096.51583290 Redistribute coefs (7.21373s) stopped
T12 >> 1462356096.51590395 Send coefs to domains (170.13965s) started
T12 << 1462356096.65941906 Send coefs to domains (170.28316s) stopped
T12 << 1462356096.65989590 Blacs Orbital Layouts (47107.69122s) stopped
T12 >> 1462356096.65992808 Calculate projections (1524.98443s) started
T12 << 1462356098.39987803 Calculate projections (1526.72438s) stopped
T12 << 1462356098.40027595 LCAO eigensolver (56465.14890s) stopped
T12 >> 1462356101.53827500 Density (13201.45106s) started
T12 >> 1462356101.53829098 Pseudo density (10162.52887s) started
T12 >> 1462356101.54059005 Calculate density matrix (9539.31843s) started
T12 << 1462356113.48577499 Calculate density matrix (9551.26362s) stopped
T12 >> 1462356113.48583508 Construct density (607.08973s) started
T12 << 1462356114.27483296 Construct density (607.87872s) stopped
T12 >> 1462356114.28939795 Symmetrize density (0.06832s) started
T12 << 1462356114.28947592 Symmetrize density (0.06840s) stopped
T12 << 1462356114.29145694 Pseudo density (10175.28203s) stopped
T12 >> 1462356114.29152393 Atomic density matrices (2686.48555s) started
T12 << 1462356117.92233109 Atomic density matrices (2690.11635s) stopped
T12 >> 1462356117.92236590 Multipole moments (10.30547s) started
T12 << 1462356117.93862510 Multipole moments (10.32173s) stopped
T12 >> 1462356117.93864894 Normalize (5.41554s) started
T12 << 1462356117.94487691 Normalize (5.42177s) stopped
T12 >> 1462356117.94495392 Mix (336.65157s) started
T12 << 1462356118.29370499 Mix (337.00032s) stopped
T12 << 1462356118.29378200 Density (13218.20656s) stopped
T12 >> 1462356118.29381394 Hamiltonian (40275.91264s) started
T12 >> 1462356118.29383492 vbar (21.32037s) started
T12 << 1462356118.32272410 vbar (21.34926s) stopped
T12 >> 1462356118.32285595 XC 3D grid (22597.66543s) started
T12 >> 1462356118.89978099 van der Waals (21823.87656s) started
T12 >> 1462356119.01308203 semilocal (4613.08456s) started
T12 << 1462356124.83104992 semilocal (4618.90253s) stopped
T12 >> 1462356124.90952802 redistribute (2343.36424s) started
T12 << 1462356125.89668012 redistribute (2344.35139s) stopped
T12 >> 1462356125.89673209 libvdwxc nonlocal (14715.22148s) started
T12 << 1462356144.17062211 libvdwxc nonlocal (14733.49537s) stopped
T12 >> 1462356144.17070293 redistribute (2344.35143s) started
T12 << 1462356146.20034909 redistribute (2346.38108s) stopped
T12 << 1462356146.20155096 van der Waals (21851.17833s) stopped
T12 << 1462356146.66664195 XC 3D grid (22626.00921s) stopped
T12 >> 1462356146.66669393 Poisson (4651.25474s) started
T12 << 1462356158.06863809 Poisson (4662.65669s) stopped
T12 >> 1462356158.06873608 Hartree integrate/restrict (298.03289s) started
T12 << 1462356158.10762691 Hartree integrate/restrict (298.07179s) stopped
T12 >> 1462356158.10771108 Hartree integrate/restrict (298.07184s) started
T12 << 1462356158.43386793 Hartree integrate/restrict (298.39799s) stopped
T12 >> 1462356158.43397498 Atomic (1910.41757s) started
T12 >> 1462356158.43589401 XC Correction (0.02625s) started
T12 << 1462356158.43590903 XC Correction (0.02626s) stopped
T12 << 1462356160.76292896 Atomic (1912.74653s) stopped
T12 >> 1462356160.76312709 Communicate (10796.91204s) started
T12 << 1462356179.91453695 Communicate (10816.06345s) stopped
T12 << 1462356179.91457891 Hamiltonian (40337.53340s) stopped
T12 >> 1462356179.91460609 LCAO eigensolver (56465.14892s) started
T12 >> 1462356179.91461992 Potential matrix (840.32481s) started
T12 << 1462356180.89508510 Potential matrix (841.30528s) stopped
T12 >> 1462356180.89516711 DistributedAtomicCorrection (359.89158s) started
T12 << 1462356181.34187198 DistributedAtomicCorrection (360.33829s) stopped
T12 >> 1462356181.34191895 Distribute overlap matrix (6626.26981s) started
T12 >> 1462356181.34195209 blocked summation (3703.84763s) started
T12 << 1462356186.36252999 blocked summation (3708.86821s) stopped
T12 >> 1462356186.37260389 Scalapack redistribute (2913.97519s) started
T12 << 1462356189.89743090 Scalapack redistribute (2917.50002s) stopped
T12 << 1462356189.89755607 Distribute overlap matrix (6634.82545s) stopped
T12 >> 1462356189.90168500 Blacs Orbital Layouts (47107.69124s) started
T12 >> 1462356189.91032004 General diagonalize (46922.31559s) started
T12 << 1462356245.39368510 General diagonalize (46977.79896s) stopped
T12 >> 1462356245.39377809 Redistribute coefs (7.21379s) started
T12 << 1462356245.40280509 Redistribute coefs (7.22282s) stopped
T12 >> 1462356245.40287709 Send coefs to domains (170.28321s) started
T12 << 1462356245.51159406 Send coefs to domains (170.39192s) stopped
T12 << 1462356245.51195002 Blacs Orbital Layouts (47163.30150s) stopped
T12 >> 1462356245.51198101 Calculate projections (1526.72444s) started
T12 << 1462356247.25224996 Calculate projections (1528.46471s) stopped
T12 << 1462356247.25265694 LCAO eigensolver (56532.48697s) stopped
T12 >> 1462356250.39792395 Density (13218.20658s) started
T12 >> 1462356250.39793992 Pseudo density (10175.28208s) started
T12 >> 1462356250.40012407 Calculate density matrix (9551.26367s) started
T12 << 1462356262.31740189 Calculate density matrix (9563.18095s) stopped
T12 >> 1462356262.31745791 Construct density (607.87878s) started
T12 << 1462356263.10691500 Construct density (608.66824s) stopped
T12 >> 1462356263.12091708 Symmetrize density (0.06842s) started
T12 << 1462356263.12099195 Symmetrize density (0.06849s) stopped
T12 << 1462356263.12297201 Pseudo density (10188.00712s) stopped
T12 >> 1462356263.12304211 Atomic density matrices (2690.11638s) started
T12 << 1462356266.65654898 Atomic density matrices (2693.64989s) stopped
T12 >> 1462356266.65658593 Multipole moments (10.32175s) started
T12 << 1462356266.67256498 Multipole moments (10.33772s) stopped
T12 >> 1462356266.67262197 Normalize (5.42182s) started
T12 << 1462356266.67904091 Normalize (5.42824s) stopped
T12 >> 1462356266.67915010 Mix (337.00040s) started
T12 << 1462356267.06800199 Mix (337.38925s) stopped
T12 << 1462356267.06807494 Density (13234.87673s) stopped
T12 >> 1462356267.06810594 Hamiltonian (40337.53341s) started
T12 >> 1462356267.06812096 vbar (21.34933s) started
T12 << 1462356267.09394312 vbar (21.37516s) stopped
T12 >> 1462356267.09405708 XC 3D grid (22626.00925s) started
T12 >> 1462356267.65706301 van der Waals (21851.17836s) started
T12 >> 1462356267.76887798 semilocal (4618.90259s) started
T12 << 1462356273.50004911 semilocal (4624.63376s) stopped
T12 >> 1462356273.57648396 redistribute (2346.38114s) started
T12 << 1462356274.65603805 redistribute (2347.46069s) stopped
T12 >> 1462356274.65611100 libvdwxc nonlocal (14733.49543s) started
T12 << 1462356292.92540503 libvdwxc nonlocal (14751.76472s) stopped
T12 >> 1462356292.92547703 redistribute (2347.46075s) started
T12 << 1462356294.88789296 redistribute (2349.42316s) stopped
T12 << 1462356294.88882899 van der Waals (21878.41013s) stopped
T12 << 1462356295.35630393 XC 3D grid (22654.27150s) stopped
T12 >> 1462356295.35636711 Poisson (4662.65676s) started
T12 << 1462356301.13996410 Poisson (4668.44035s) stopped
T12 >> 1462356301.14009809 Hartree integrate/restrict (298.39805s) started
T12 << 1462356301.17877793 Hartree integrate/restrict (298.43673s) stopped
T12 >> 1462356301.17890096 Hartree integrate/restrict (298.43682s) started
T12 << 1462356301.50011301 Hartree integrate/restrict (298.75803s) stopped
T12 >> 1462356301.50022602 Atomic (1912.74656s) started
T12 >> 1462356301.50214005 XC Correction (0.02627s) started
T12 << 1462356301.50215697 XC Correction (0.02629s) stopped
T12 << 1462356303.83227205 Atomic (1915.07860s) stopped
T12 >> 1462356303.83247399 Communicate (10816.06348s) started
T12 << 1462356322.83396506 Communicate (10835.06497s) stopped
T12 << 1462356322.83400798 Hamiltonian (40393.29932s) stopped
T12 >> 1462356322.83403492 LCAO eigensolver (56532.48699s) started
T12 >> 1462356322.83404803 Potential matrix (841.30532s) started
T12 << 1462356323.82324696 Potential matrix (842.29452s) stopped
T12 >> 1462356323.82332993 DistributedAtomicCorrection (360.33832s) started
T12 << 1462356324.27719593 DistributedAtomicCorrection (360.79219s) stopped
T12 >> 1462356324.27724504 Distribute overlap matrix (6634.82546s) started
T12 >> 1462356324.27728009 blocked summation (3708.86825s) started
T12 << 1462356329.20947003 blocked summation (3713.80044s) stopped
T12 >> 1462356329.21921206 Scalapack redistribute (2917.50009s) started
T12 << 1462356332.77085805 Scalapack redistribute (2921.05173s) stopped
T12 << 1462356332.77095199 Distribute overlap matrix (6643.31917s) stopped
T12 >> 1462356332.77609706 Blacs Orbital Layouts (47163.30152s) started
T12 >> 1462356332.78540301 General diagonalize (46977.79904s) started
T12 << 1462356388.63596797 General diagonalize (47033.64960s) stopped
T12 >> 1462356388.63601995 Redistribute coefs (7.22288s) started
T12 << 1462356388.64501810 Redistribute coefs (7.23187s) stopped
T12 >> 1462356388.64508891 Send coefs to domains (170.39196s) started
T12 << 1462356388.74761605 Send coefs to domains (170.49449s) stopped
T12 << 1462356388.74810696 Blacs Orbital Layouts (47219.27353s) stopped
T12 >> 1462356388.74813700 Calculate projections (1528.46476s) started
T12 << 1462356390.48840809 Calculate projections (1530.20503s) stopped
T12 << 1462356390.48880100 LCAO eigensolver (56600.14175s) stopped
T12 >> 1462356393.61888409 Density (13234.87674s) started
T12 >> 1462356393.61890101 Pseudo density (10188.00717s) started
T12 >> 1462356393.62119198 Calculate density matrix (9563.18098s) started
T12 << 1462356405.57948709 Calculate density matrix (9575.13928s) stopped
T12 >> 1462356405.57954311 Construct density (608.66830s) started
T12 << 1462356406.36876392 Construct density (609.45752s) stopped
T12 >> 1462356406.38301110 Symmetrize density (0.06851s) started
T12 << 1462356406.38308597 Symmetrize density (0.06859s) stopped
T12 << 1462356406.38505197 Pseudo density (10200.77332s) stopped
T12 >> 1462356406.38511992 Atomic density matrices (2693.64992s) started
T12 << 1462356410.03203511 Atomic density matrices (2697.29683s) stopped
T12 >> 1462356410.03207397 Multipole moments (10.33776s) started
T12 << 1462356410.04807401 Multipole moments (10.35376s) stopped
T12 >> 1462356410.04810905 Normalize (5.42832s) started
T12 << 1462356410.05435610 Normalize (5.43456s) stopped
T12 >> 1462356410.05442691 Mix (337.38932s) started
T12 << 1462356410.46671295 Mix (337.80161s) stopped
T12 << 1462356410.46677899 Density (13251.72464s) stopped
T12 >> 1462356410.46680689 Hamiltonian (40393.29933s) started
T12 >> 1462356410.46682811 vbar (21.37522s) started
T12 << 1462356410.49188089 vbar (21.40028s) stopped
T12 >> 1462356410.49203110 XC 3D grid (22654.27155s) started
T12 >> 1462356410.98534203 van der Waals (21878.41015s) started
T12 >> 1462356411.09731603 semilocal (4624.63388s) started
T12 << 1462356416.82693505 semilocal (4630.36350s) stopped
T12 >> 1462356416.91034102 redistribute (2349.42323s) started
T12 << 1462356417.94608092 redistribute (2350.45897s) stopped
T12 >> 1462356417.94614410 libvdwxc nonlocal (14751.76478s) started
T12 << 1462356436.10406995 libvdwxc nonlocal (14769.92270s) stopped
T12 >> 1462356436.10415506 redistribute (2350.45901s) started
T12 << 1462356438.07802200 redistribute (2352.43288s) stopped
T12 << 1462356438.07893801 van der Waals (21905.50375s) stopped
T12 << 1462356438.54271793 XC 3D grid (22682.32224s) stopped
T12 >> 1462356438.54277301 Poisson (4668.44046s) started
T12 << 1462356444.36879110 Poisson (4674.26648s) stopped
T12 >> 1462356444.36896110 Hartree integrate/restrict (298.75809s) started
T12 << 1462356444.40748596 Hartree integrate/restrict (298.79661s) stopped
T12 >> 1462356444.40759492 Hartree integrate/restrict (298.79668s) started
T12 << 1462356444.74477506 Hartree integrate/restrict (299.13386s) stopped
T12 >> 1462356444.74489594 Atomic (1915.07863s) started
T12 >> 1462356444.74687409 XC Correction (0.02630s) started
T12 << 1462356444.74689198 XC Correction (0.02632s) stopped
T12 << 1462356447.06802702 Atomic (1917.40176s) stopped
T12 >> 1462356447.06822109 Communicate (10835.06500s) started
T12 << 1462356465.23051500 Communicate (10853.22730s) stopped
T12 << 1462356465.23055601 Hamiltonian (40448.06308s) stopped
T12 >> 1462356465.23058200 LCAO eigensolver (56600.14178s) started
T12 >> 1462356465.23059607 Potential matrix (842.29457s) started
T12 << 1462356466.20834804 Potential matrix (843.27232s) stopped
T12 >> 1462356466.20842910 DistributedAtomicCorrection (360.79223s) started
T12 << 1462356466.66212893 DistributedAtomicCorrection (361.24593s) stopped
T12 >> 1462356466.66218901 Distribute overlap matrix (6643.31918s) started
T12 >> 1462356466.66221404 blocked summation (3713.80047s) started
T12 << 1462356471.58787203 blocked summation (3718.72613s) stopped
T12 >> 1462356471.59679794 Scalapack redistribute (2921.05178s) started
T12 << 1462356475.22200108 Scalapack redistribute (2924.67698s) stopped
T12 << 1462356475.22211194 Distribute overlap matrix (6651.87910s) stopped
T12 >> 1462356475.22625995 Blacs Orbital Layouts (47219.27355s) started
T12 >> 1462356475.23540998 General diagonalize (47033.64965s) started
T12 << 1462356529.30433893 General diagonalize (47087.71857s) stopped
T12 >> 1462356529.30442595 Redistribute coefs (7.23193s) started
T12 << 1462356529.31366301 Redistribute coefs (7.24117s) stopped
T12 >> 1462356529.31374598 Send coefs to domains (170.49453s) started
T12 << 1462356529.44245005 Send coefs to domains (170.62323s) stopped
T12 << 1462356529.44287491 Blacs Orbital Layouts (47273.49017s) stopped
T12 >> 1462356529.44295502 Calculate projections (1530.20509s) started
T12 << 1462356531.18278599 Calculate projections (1531.94492s) stopped
T12 << 1462356531.18299794 LCAO eigensolver (56666.09419s) stopped
T12 >> 1462356534.31432199 Density (13251.72465s) started
T12 >> 1462356534.31433892 Pseudo density (10200.77338s) started
T12 >> 1462356534.31677508 Calculate density matrix (9575.13932s) started
T12 << 1462356546.23157001 Calculate density matrix (9587.05411s) stopped
T12 >> 1462356546.23162603 Construct density (609.45758s) started
T12 << 1462356547.01947808 Construct density (610.24543s) stopped
T12 >> 1462356547.03347397 Symmetrize density (0.06861s) started
T12 << 1462356547.03354597 Symmetrize density (0.06868s) stopped
T12 << 1462356547.03555298 Pseudo density (10213.49459s) stopped
T12 >> 1462356547.03561997 Atomic density matrices (2697.29686s) started
T12 << 1462356550.65048599 Atomic density matrices (2700.91173s) stopped
T12 >> 1462356550.65052509 Multipole moments (10.35378s) started
T12 << 1462356550.66648197 Multipole moments (10.36974s) stopped
T12 >> 1462356550.66651607 Normalize (5.43461s) started
T12 << 1462356550.67270398 Normalize (5.44080s) stopped
T12 >> 1462356550.67279410 Mix (337.80167s) started
T12 << 1462356551.06947803 Mix (338.19836s) stopped
T12 << 1462356551.06957102 Density (13268.47990s) stopped
T12 >> 1462356551.06960702 Hamiltonian (40448.06309s) started
T12 >> 1462356551.06962490 vbar (21.40036s) started
T12 << 1462356551.09900999 vbar (21.42974s) stopped
T12 >> 1462356551.09914708 XC 3D grid (22682.32228s) started
T12 >> 1462356551.60820293 van der Waals (21905.50378s) started
T12 >> 1462356551.72238398 semilocal (4630.36361s) started
T12 << 1462356557.54952097 semilocal (4636.19075s) stopped
T12 >> 1462356557.62654591 redistribute (2352.43295s) started
T12 << 1462356558.62972212 redistribute (2353.43612s) stopped
T12 >> 1462356558.62978292 libvdwxc nonlocal (14769.92276s) started
T12 << 1462356576.87464404 libvdwxc nonlocal (14788.16763s) stopped
T12 >> 1462356576.87472200 redistribute (2353.43616s) started
T12 << 1462356578.83184290 redistribute (2355.39328s) stopped
T12 << 1462356578.83314896 van der Waals (21932.72873s) stopped
T12 << 1462356579.30179691 XC 3D grid (22710.52493s) stopped
T12 >> 1462356579.30185008 Poisson (4674.26661s) started
T12 << 1462356585.21674609 Poisson (4680.18151s) stopped
T12 >> 1462356585.21681809 Hartree integrate/restrict (299.13392s) started
T12 << 1462356585.26866794 Hartree integrate/restrict (299.18577s) stopped
T12 >> 1462356585.26871109 Hartree integrate/restrict (299.18580s) started
T12 << 1462356585.57871389 Hartree integrate/restrict (299.49580s) stopped
T12 >> 1462356585.57878399 Atomic (1917.40178s) started
T12 >> 1462356585.58054495 XC Correction (0.02633s) started
T12 << 1462356585.58055997 XC Correction (0.02634s) stopped
T12 << 1462356587.92047191 Atomic (1919.74347s) stopped
T12 >> 1462356587.92063808 Communicate (10853.22732s) started
T12 << 1462356605.37908196 Communicate (10870.68577s) stopped
T12 << 1462356605.37912011 Hamiltonian (40502.37261s) stopped
T12 >> 1462356605.37914491 LCAO eigensolver (56666.09421s) started
T12 >> 1462356605.37915802 Potential matrix (843.27236s) started
T12 << 1462356606.36265993 Potential matrix (844.25587s) stopped
T12 >> 1462356606.36274600 DistributedAtomicCorrection (361.24597s) started
T12 << 1462356606.81489205 DistributedAtomicCorrection (361.69811s) stopped
T12 >> 1462356606.81495309 Distribute overlap matrix (6651.87912s) started
T12 >> 1462356606.81497407 blocked summation (3718.72617s) started
T12 << 1462356611.75303006 blocked summation (3723.66422s) stopped
T12 >> 1462356611.76366711 Scalapack redistribute (2924.67704s) started
T12 << 1462356615.40510392 Scalapack redistribute (2928.31847s) stopped
T12 << 1462356615.40521407 Distribute overlap matrix (6660.46938s) stopped
T12 >> 1462356615.40985703 Blacs Orbital Layouts (47273.49019s) started
T12 >> 1462356615.41882300 General diagonalize (47087.71865s) started
T12 << 1462356670.74785590 General diagonalize (47143.04768s) stopped
T12 >> 1462356670.74790502 Redistribute coefs (7.24124s) started
T12 << 1462356670.75621200 Redistribute coefs (7.24954s) stopped
T12 >> 1462356670.75628805 Send coefs to domains (170.62327s) started
T12 << 1462356670.97544193 Send coefs to domains (170.84243s) stopped
T12 << 1462356670.97592807 Blacs Orbital Layouts (47329.05626s) stopped
T12 >> 1462356670.97596002 Calculate projections (1531.94498s) started
T12 << 1462356672.70669103 Calculate projections (1533.67571s) stopped
T12 << 1462356672.70706296 LCAO eigensolver (56733.42213s) stopped
T12 >> 1462356675.87823391 Density (13268.47992s) started
T12 >> 1462356675.87824893 Pseudo density (10213.49464s) started
T12 >> 1462356675.88111210 Calculate density matrix (9587.05415s) started
T12 << 1462356687.82644510 Calculate density matrix (9598.99948s) stopped
T12 >> 1462356687.82649302 Construct density (610.24549s) started
T12 << 1462356688.61666799 Construct density (611.03566s) stopped
T12 >> 1462356688.63318110 Symmetrize density (0.06870s) started
T12 << 1462356688.63324594 Symmetrize density (0.06876s) stopped
T12 << 1462356688.63565898 Pseudo density (10226.25205s) stopped
T12 >> 1462356688.63571501 Atomic density matrices (2700.91175s) started
T12 << 1462356692.20173502 Atomic density matrices (2704.47777s) stopped
T12 >> 1462356692.20177007 Multipole moments (10.36976s) started
T12 << 1462356692.21703100 Multipole moments (10.38502s) stopped
T12 >> 1462356692.21706104 Normalize (5.44087s) started
T12 << 1462356692.22387195 Normalize (5.44768s) stopped
T12 >> 1462356692.22391295 Mix (338.19845s) started
T12 << 1462356692.69968891 Mix (338.67422s) stopped
T12 << 1462356692.69975805 Density (13285.30144s) stopped
T12 >> 1462356692.69978690 Hamiltonian (40502.37262s) started
T12 >> 1462356692.69980693 vbar (21.42982s) started
T12 << 1462356692.72376800 vbar (21.45378s) stopped
T12 >> 1462356692.72387004 XC 3D grid (22710.52497s) started
T12 >> 1462356693.23341393 van der Waals (21932.72875s) started
T12 >> 1462356693.34577298 semilocal (4636.19083s) started
T12 << 1462356699.12078094 semilocal (4641.96584s) stopped
T12 >> 1462356699.20115089 redistribute (2355.39335s) started
T12 << 1462356700.20151806 redistribute (2356.39371s) stopped
T12 >> 1462356700.20158410 libvdwxc nonlocal (14788.16768s) started
T12 << 1462356718.73879695 libvdwxc nonlocal (14806.70490s) stopped
T12 >> 1462356718.73887205 redistribute (2356.39377s) started
T12 << 1462356720.44636297 redistribute (2358.10126s) stopped
T12 << 1462356720.44733906 van der Waals (21959.94268s) stopped
T12 << 1462356720.91839504 XC 3D grid (22738.71950s) stopped
T12 >> 1462356720.91845894 Poisson (4680.18156s) started
T12 << 1462356726.70953608 Poisson (4685.97263s) stopped
T12 >> 1462356726.70966005 Hartree integrate/restrict (299.49584s) started
T12 << 1462356726.75873399 Hartree integrate/restrict (299.54491s) stopped
T12 >> 1462356726.75883007 Hartree integrate/restrict (299.54498s) started
T12 << 1462356727.07091403 Hartree integrate/restrict (299.85706s) stopped
T12 >> 1462356727.07099795 Atomic (1919.74349s) started
T12 >> 1462356727.07280397 XC Correction (0.02636s) started
T12 << 1462356727.07282996 XC Correction (0.02638s) stopped
T12 << 1462356729.41325593 Atomic (1922.08575s) stopped
T12 >> 1462356729.41341400 Communicate (10870.68579s) started
T12 << 1462356746.90231204 Communicate (10888.17469s) stopped
T12 << 1462356746.90234995 Hamiltonian (40556.57518s) stopped
T12 >> 1462356746.90237498 LCAO eigensolver (56733.42215s) started
T12 >> 1462356746.90238810 Potential matrix (844.25592s) started
T12 << 1462356747.87610602 Potential matrix (845.22964s) stopped
T12 >> 1462356747.87617612 DistributedAtomicCorrection (361.69815s) started
T12 << 1462356748.33541203 DistributedAtomicCorrection (362.15739s) stopped
T12 >> 1462356748.33547401 Distribute overlap matrix (6660.46939s) started
T12 >> 1462356748.33549595 blocked summation (3723.66425s) started
T12 << 1462356753.24282598 blocked summation (3728.57158s) stopped
T12 >> 1462356753.25276709 Scalapack redistribute (2928.31853s) started
T12 << 1462356756.86473393 Scalapack redistribute (2931.93050s) stopped
T12 << 1462356756.86480904 Distribute overlap matrix (6668.99873s) stopped
T12 >> 1462356756.86944509 Blacs Orbital Layouts (47329.05628s) started
T12 >> 1462356756.87813091 General diagonalize (47143.04772s) started
T12 << 1462356813.45176291 General diagonalize (47199.62135s) stopped
T12 >> 1462356813.45182896 Redistribute coefs (7.24960s) started
T12 << 1462356813.45993996 Redistribute coefs (7.25772s) stopped
T12 >> 1462356813.46001291 Send coefs to domains (170.84246s) started
T12 << 1462356813.57072091 Send coefs to domains (170.95317s) stopped
T12 << 1462356813.57106900 Blacs Orbital Layouts (47385.75790s) stopped
T12 >> 1462356813.57112789 Calculate projections (1533.67577s) started
T12 << 1462356815.30173111 Calculate projections (1535.40637s) stopped
T12 << 1462356815.30208492 LCAO eigensolver (56801.82186s) stopped
T12 >> 1462356818.45228004 Density (13285.30145s) started
T12 >> 1462356818.45229602 Pseudo density (10226.25210s) started
T12 >> 1462356818.45567489 Calculate density matrix (9598.99951s) started
T12 << 1462356830.41388011 Calculate density matrix (9610.95772s) stopped
T12 >> 1462356830.41392994 Construct density (611.03571s) started
T12 << 1462356831.20363903 Construct density (611.82542s) stopped
T12 >> 1462356831.21982503 Symmetrize density (0.06878s) started
T12 << 1462356831.21988893 Symmetrize density (0.06884s) stopped
T12 << 1462356831.22230005 Pseudo density (10239.02210s) stopped
T12 >> 1462356831.22235799 Atomic density matrices (2704.47780s) started
T12 << 1462356834.79510903 Atomic density matrices (2708.05055s) stopped
T12 >> 1462356834.79514289 Multipole moments (10.38503s) started
T12 << 1462356834.81110096 Multipole moments (10.40099s) stopped
T12 >> 1462356834.81113195 Normalize (5.44771s) started
T12 << 1462356834.81795502 Normalize (5.45454s) stopped
T12 >> 1462356834.81799293 Mix (338.67429s) started
T12 << 1462356835.24426603 Mix (339.10056s) stopped
T12 << 1462356835.24433398 Density (13302.09351s) stopped
T12 >> 1462356835.24436212 Hamiltonian (40556.57519s) started
T12 >> 1462356835.24437809 vbar (21.45384s) started
T12 << 1462356835.27018189 vbar (21.47965s) stopped
T12 >> 1462356835.27035189 XC 3D grid (22738.71955s) started
T12 >> 1462356835.75294304 van der Waals (21959.94270s) started
T12 >> 1462356835.86714292 semilocal (4641.96592s) started
T12 << 1462356841.64419103 semilocal (4647.74297s) stopped
T12 >> 1462356841.71868110 redistribute (2358.10131s) started
T12 << 1462356842.71299911 redistribute (2359.09563s) stopped
T12 >> 1462356842.71307302 libvdwxc nonlocal (14806.70496s) started
T12 << 1462356861.45106292 libvdwxc nonlocal (14825.44295s) stopped
T12 >> 1462356861.45113206 redistribute (2359.09568s) started
T12 << 1462356863.25604892 redistribute (2360.90060s) stopped
T12 << 1462356863.25698805 van der Waals (21987.44674s) stopped
T12 << 1462356863.72719312 XC 3D grid (22767.17639s) stopped
T12 >> 1462356863.72723603 Poisson (4685.97273s) started
T12 << 1462356868.10725594 Poisson (4690.35275s) stopped
T12 >> 1462356868.10733104 Hartree integrate/restrict (299.85710s) started
T12 << 1462356868.15609789 Hartree integrate/restrict (299.90587s) stopped
T12 >> 1462356868.15614700 Hartree integrate/restrict (299.90590s) started
T12 << 1462356868.48480892 Hartree integrate/restrict (300.23456s) stopped
T12 >> 1462356868.48490095 Atomic (1922.08577s) started
T12 >> 1462356868.48676610 XC Correction (0.02640s) started
T12 << 1462356868.48678803 XC Correction (0.02642s) stopped
T12 << 1462356870.81661606 Atomic (1924.41749s) stopped
T12 >> 1462356870.81677103 Communicate (10888.17471s) started
T12 << 1462356888.20023990 Communicate (10905.55818s) stopped
T12 << 1462356888.20027804 Hamiltonian (40609.53111s) stopped
T12 >> 1462356888.20030308 LCAO eigensolver (56801.82188s) started
T12 >> 1462356888.20031595 Potential matrix (845.22968s) started
T12 << 1462356889.17376804 Potential matrix (846.20313s) stopped
T12 >> 1462356889.17384100 DistributedAtomicCorrection (362.15743s) started
T12 << 1462356889.62719297 DistributedAtomicCorrection (362.61078s) stopped
T12 >> 1462356889.62725210 Distribute overlap matrix (6668.99874s) started
T12 >> 1462356889.62727404 blocked summation (3728.57161s) started
T12 << 1462356894.52643108 blocked summation (3733.47077s) stopped
T12 >> 1462356894.53618097 Scalapack redistribute (2931.93055s) started
T12 << 1462356898.23318911 Scalapack redistribute (2935.62756s) stopped
T12 << 1462356898.23327994 Distribute overlap matrix (6677.60477s) stopped
T12 >> 1462356898.23760390 Blacs Orbital Layouts (47385.75792s) started
T12 >> 1462356898.24613309 General diagonalize (47199.62141s) started
T12 << 1462356953.64305305 General diagonalize (47255.01833s) stopped
T12 >> 1462356953.64309907 Redistribute coefs (7.25778s) started
T12 << 1462356953.65142012 Redistribute coefs (7.26610s) stopped
T12 >> 1462356953.65148997 Send coefs to domains (170.95320s) started
T12 << 1462356953.78824902 Send coefs to domains (171.08996s) stopped
T12 << 1462356953.78859901 Blacs Orbital Layouts (47441.30892s) stopped
T12 >> 1462356953.78863096 Calculate projections (1535.40642s) started
T12 << 1462356955.51942492 Calculate projections (1537.13722s) stopped
T12 << 1462356955.51979899 LCAO eigensolver (56869.14137s) stopped
T12 >> 1462356958.69323397 Density (13302.09352s) started
T12 >> 1462356958.69324899 Pseudo density (10239.02215s) started
T12 >> 1462356958.69599295 Calculate density matrix (9610.95775s) started
T12 << 1462356970.81802106 Calculate density matrix (9623.07978s) stopped
T12 >> 1462356970.81806803 Construct density (611.82547s) started
T12 << 1462356971.60888791 Construct density (612.61629s) stopped
T12 >> 1462356971.62511396 Symmetrize density (0.06886s) started
T12 << 1462356971.62517905 Symmetrize density (0.06892s) stopped
T12 << 1462356971.62759995 Pseudo density (10251.95650s) stopped
T12 >> 1462356971.62765789 Atomic density matrices (2708.05057s) started
T12 << 1462356975.19991899 Atomic density matrices (2711.62284s) stopped
T12 >> 1462356975.19995499 Multipole moments (10.40101s) started
T12 << 1462356975.21585011 Multipole moments (10.41690s) stopped
T12 >> 1462356975.21588302 Normalize (5.45456s) started
T12 << 1462356975.22247410 Normalize (5.46115s) stopped
T12 >> 1462356975.22251201 Mix (339.10063s) started
T12 << 1462356975.69438195 Mix (339.57250s) stopped
T12 << 1462356975.69444704 Density (13319.09473s) stopped
T12 >> 1462356975.69447494 Hamiltonian (40609.53112s) started
T12 >> 1462356975.69448996 vbar (21.47974s) started
T12 << 1462356975.71781301 vbar (21.50306s) stopped
T12 >> 1462356975.71792793 XC 3D grid (22767.17643s) started
T12 >> 1462356976.25432897 van der Waals (21987.44677s) started
T12 >> 1462356976.36903691 semilocal (4647.74302s) started
T12 << 1462356982.14892006 semilocal (4653.52290s) stopped
T12 >> 1462356982.22179389 redistribute (2360.90065s) started
T12 << 1462356983.22824597 redistribute (2361.90710s) stopped
T12 >> 1462356983.22831297 libvdwxc nonlocal (14825.44300s) started
T12 << 1462357001.56294489 libvdwxc nonlocal (14843.77763s) stopped
T12 >> 1462357001.56300807 redistribute (2361.90716s) started
T12 << 1462357003.25202894 redistribute (2363.59618s) stopped
T12 << 1462357003.25295210 van der Waals (22014.44539s) stopped
T12 << 1462357003.72001004 XC 3D grid (22795.17851s) stopped
T12 >> 1462357003.72007394 Poisson (4690.35281s) started
T12 << 1462357006.63447809 Poisson (4693.26721s) stopped
T12 >> 1462357006.63455200 Hartree integrate/restrict (300.23461s) started
T12 << 1462357006.68007803 Hartree integrate/restrict (300.28013s) stopped
T12 >> 1462357006.68015599 Hartree integrate/restrict (300.28019s) started
T12 << 1462357006.99352908 Hartree integrate/restrict (300.59356s) stopped
T12 >> 1462357006.99362993 Atomic (1924.41751s) started
T12 >> 1462357006.99538589 XC Correction (0.02643s) started
T12 << 1462357006.99540305 XC Correction (0.02645s) stopped
T12 << 1462357009.32525706 Atomic (1926.74914s) stopped
T12 >> 1462357009.32540488 Communicate (10905.55821s) started
T12 << 1462357026.83988810 Communicate (10923.07269s) stopped
T12 << 1462357026.83992505 Hamiltonian (40660.67657s) stopped
T12 >> 1462357026.83995008 LCAO eigensolver (56869.14139s) started
T12 >> 1462357026.83996391 Potential matrix (846.20317s) started
T12 << 1462357027.81359792 Potential matrix (847.17681s) stopped
T12 >> 1462357027.81366897 DistributedAtomicCorrection (362.61082s) started
T12 << 1462357028.26600003 DistributedAtomicCorrection (363.06315s) stopped
T12 >> 1462357028.26608801 Distribute overlap matrix (6677.60478s) started
T12 >> 1462357028.26610994 blocked summation (3733.47080s) started
T12 << 1462357033.23530412 blocked summation (3738.43999s) stopped
T12 >> 1462357033.24491310 Scalapack redistribute (2935.62761s) started
T12 << 1462357036.82964706 Scalapack redistribute (2939.21234s) stopped
T12 << 1462357036.82974100 Distribute overlap matrix (6686.16843s) stopped
T12 >> 1462357036.83452797 Blacs Orbital Layouts (47441.30893s) started
T12 >> 1462357036.84307003 General diagonalize (47255.01836s) started
T12 << 1462357092.27141309 General diagonalize (47310.44670s) stopped
T12 >> 1462357092.27146792 Redistribute coefs (7.26615s) started
T12 << 1462357092.28064489 Redistribute coefs (7.27533s) stopped
T12 >> 1462357092.28069091 Send coefs to domains (171.08999s) started
T12 << 1462357092.37684798 Send coefs to domains (171.18615s) stopped
T12 << 1462357092.37731004 Blacs Orbital Layouts (47496.85172s) stopped
T12 >> 1462357092.37734604 Calculate projections (1537.13727s) started
T12 << 1462357094.11774111 Calculate projections (1538.87766s) stopped
T12 << 1462357094.11820507 LCAO eigensolver (56936.41965s) stopped
T12 >> 1462357097.27925396 Density (13319.09475s) started
T12 >> 1462357097.27926993 Pseudo density (10251.95655s) started
T12 >> 1462357097.28176689 Calculate density matrix (9623.07981s) started
T12 << 1462357109.20315194 Calculate density matrix (9635.00120s) stopped
T12 >> 1462357109.20321107 Construct density (612.61634s) started
T12 << 1462357109.98948908 Construct density (613.40262s) stopped
T12 >> 1462357110.00308609 Symmetrize density (0.06894s) started
T12 << 1462357110.00315690 Symmetrize density (0.06901s) stopped
T12 << 1462357110.00524902 Pseudo density (10264.68253s) stopped
T12 >> 1462357110.00531793 Atomic density matrices (2711.62286s) started
T12 << 1462357113.56216097 Atomic density matrices (2715.17971s) stopped
T12 >> 1462357113.56219912 Multipole moments (10.41692s) started
T12 << 1462357113.57806897 Multipole moments (10.43279s) stopped
T12 >> 1462357113.57810211 Normalize (5.46118s) started
T12 << 1462357113.58432102 Normalize (5.46740s) stopped
T12 >> 1462357113.58437300 Mix (339.57256s) started
T12 << 1462357113.98270392 Mix (339.97089s) stopped
T12 << 1462357113.98274589 Density (13335.79824s) stopped
T12 >> 1462357113.98277211 Hamiltonian (40660.67658s) started
T12 >> 1462357113.98278689 vbar (21.50313s) started
T12 << 1462357114.00852704 vbar (21.52887s) stopped
T12 >> 1462357114.00864291 XC 3D grid (22795.17856s) started
T12 >> 1462357114.57881689 van der Waals (22014.44542s) started
T12 >> 1462357114.69327688 semilocal (4653.52300s) started
T12 << 1462357120.43053389 semilocal (4659.26026s) stopped
T12 >> 1462357120.51448202 redistribute (2363.59623s) started
T12 << 1462357121.57018590 redistribute (2364.65194s) stopped
T12 >> 1462357121.57023692 libvdwxc nonlocal (14843.77768s) started
T12 << 1462357139.82806206 libvdwxc nonlocal (14862.03551s) stopped
T12 >> 1462357139.82814503 redistribute (2364.65198s) started
T12 << 1462357141.83767509 redistribute (2366.66151s) stopped
T12 << 1462357141.83875608 van der Waals (22041.70536s) stopped
T12 << 1462357142.30909395 XC 3D grid (22823.47901s) stopped
T12 >> 1462357142.30915308 Poisson (4693.26726s) started
T12 << 1462357146.65668297 Poisson (4697.61479s) stopped
T12 >> 1462357146.65677309 Hartree integrate/restrict (300.59361s) started
T12 << 1462357146.69503307 Hartree integrate/restrict (300.63187s) stopped
T12 >> 1462357146.69512296 Hartree integrate/restrict (300.63192s) started
T12 << 1462357147.02571392 Hartree integrate/restrict (300.96252s) stopped
T12 >> 1462357147.02582407 Atomic (1926.74917s) started
T12 >> 1462357147.02780604 XC Correction (0.02646s) started
T12 << 1462357147.02784300 XC Correction (0.02650s) stopped
T12 << 1462357149.36147404 Atomic (1929.08482s) stopped
T12 >> 1462357149.36163306 Communicate (10923.07272s) started
T12 << 1462357166.89709711 Communicate (10940.60818s) stopped
T12 << 1462357166.89713502 Hamiltonian (40713.59095s) stopped
T12 >> 1462357166.89716196 LCAO eigensolver (56936.41966s) started
T12 >> 1462357166.89717603 Potential matrix (847.17685s) started
T12 << 1462357167.88086510 Potential matrix (848.16054s) stopped
T12 >> 1462357167.88094592 DistributedAtomicCorrection (363.06321s) started
T12 << 1462357168.33351707 DistributedAtomicCorrection (363.51579s) stopped
T12 >> 1462357168.33358002 Distribute overlap matrix (6686.16845s) started
T12 >> 1462357168.33360600 blocked summation (3738.44002s) started
T12 << 1462357173.28362489 blocked summation (3743.39004s) stopped
T12 >> 1462357173.29313803 Scalapack redistribute (2939.21239s) started
T12 << 1462357176.85290504 Scalapack redistribute (2942.77216s) stopped
T12 << 1462357176.85303593 Distribute overlap matrix (6694.68790s) stopped
T12 >> 1462357176.85725904 Blacs Orbital Layouts (47496.85174s) started
T12 >> 1462357176.86571288 General diagonalize (47310.44675s) started
T12 << 1462357230.54566503 General diagonalize (47364.12670s) stopped
T12 >> 1462357230.54571795 Redistribute coefs (7.27537s) started
T12 << 1462357230.55470800 Redistribute coefs (7.28436s) stopped
T12 >> 1462357230.55475807 Send coefs to domains (171.18619s) started
T12 << 1462357230.65452003 Send coefs to domains (171.28595s) stopped
T12 << 1462357230.65490007 Blacs Orbital Layouts (47550.64938s) stopped
T12 >> 1462357230.65497208 Calculate projections (1538.87772s) started
T12 << 1462357232.39703012 Calculate projections (1540.61978s) stopped
T12 << 1462357232.39743900 LCAO eigensolver (57001.91994s) stopped
T12 >> 1462357235.53692889 Density (13335.79825s) started
T12 >> 1462357235.53694510 Pseudo density (10264.68258s) started
T12 >> 1462357235.53947091 Calculate density matrix (9635.00124s) started
T12 << 1462357247.47187209 Calculate density matrix (9646.93364s) stopped
T12 >> 1462357247.47193003 Construct density (613.40268s) started
T12 << 1462357248.26079202 Construct density (614.19154s) stopped
T12 >> 1462357248.27500105 Symmetrize density (0.06903s) started
T12 << 1462357248.27507305 Symmetrize density (0.06910s) stopped
T12 << 1462357248.27718711 Pseudo density (10277.42282s) stopped
T12 >> 1462357248.27725697 Atomic density matrices (2715.17973s) started
T12 << 1462357251.78115392 Atomic density matrices (2718.68363s) stopped
T12 >> 1462357251.78119302 Multipole moments (10.43281s) started
T12 << 1462357251.79709697 Multipole moments (10.44871s) stopped
T12 >> 1462357251.79713106 Normalize (5.46744s) started
T12 << 1462357251.80333900 Normalize (5.47364s) stopped
T12 >> 1462357251.80340290 Mix (339.97094s) started
T12 << 1462357252.21871305 Mix (340.38625s) stopped
T12 << 1462357252.21876788 Density (13352.48009s) stopped
T12 >> 1462357252.21879601 Hamiltonian (40713.59096s) started
T12 >> 1462357252.21881199 vbar (21.52894s) started
T12 << 1462357252.24060607 vbar (21.55073s) stopped
T12 >> 1462357252.24071693 XC 3D grid (22823.47906s) started
T12 >> 1462357252.74820304 van der Waals (22041.70538s) started
T12 >> 1462357252.85897899 semilocal (4659.26038s) started
T12 << 1462357258.64801908 semilocal (4665.04942s) stopped
T12 >> 1462357258.72725010 redistribute (2366.66155s) started
T12 << 1462357259.74124408 redistribute (2367.67554s) stopped
T12 >> 1462357259.74130607 libvdwxc nonlocal (14862.03557s) started
T12 << 1462357277.98601389 libvdwxc nonlocal (14880.28028s) stopped
T12 >> 1462357277.98609304 redistribute (2367.67558s) started
T12 << 1462357280.06243300 redistribute (2369.75192s) stopped
T12 << 1462357280.06347799 van der Waals (22069.02065s) stopped
T12 << 1462357280.52537608 XC 3D grid (22851.76372s) stopped
T12 >> 1462357280.52542710 Poisson (4697.61486s) started
T12 << 1462357283.44661593 Poisson (4700.53605s) stopped
T12 >> 1462357283.44671893 Hartree integrate/restrict (300.96257s) started
T12 << 1462357283.48508906 Hartree integrate/restrict (301.00094s) stopped
T12 >> 1462357283.48518991 Hartree integrate/restrict (301.00100s) started
T12 << 1462357283.82592702 Hartree integrate/restrict (301.34174s) stopped
T12 >> 1462357283.82604194 Atomic (1929.08484s) started
T12 >> 1462357283.82799792 XC Correction (0.02651s) started
T12 << 1462357283.82805109 XC Correction (0.02656s) stopped
T12 << 1462357286.15741396 Atomic (1931.41621s) stopped
T12 >> 1462357286.15756607 Communicate (10940.60821s) started
T12 << 1462357303.79949999 Communicate (10958.25014s) stopped
T12 << 1462357303.79954195 Hamiltonian (40765.17171s) stopped
T12 >> 1462357303.79956889 LCAO eigensolver (57001.91996s) started
T12 >> 1462357303.79958296 Potential matrix (848.16058s) started
T12 << 1462357304.77984190 Potential matrix (849.14084s) stopped
T12 >> 1462357304.77992392 DistributedAtomicCorrection (363.51583s) started
T12 << 1462357305.24030399 DistributedAtomicCorrection (363.97621s) stopped
T12 >> 1462357305.24037099 Distribute overlap matrix (6694.68792s) started
T12 >> 1462357305.24039602 blocked summation (3743.39008s) started
T12 << 1462357310.14713907 blocked summation (3748.29682s) stopped
T12 >> 1462357310.15703297 Scalapack redistribute (2942.77223s) started
T12 << 1462357313.75374508 Scalapack redistribute (2946.36895s) stopped
T12 << 1462357313.75388288 Distribute overlap matrix (6703.20143s) stopped
T12 >> 1462357313.75866604 Blacs Orbital Layouts (47550.64940s) started
T12 >> 1462357313.76754689 General diagonalize (47364.12674s) started
T12 << 1462357368.99455905 General diagonalize (47419.35376s) stopped
T12 >> 1462357368.99464607 Redistribute coefs (7.28439s) started
T12 << 1462357369.00407791 Redistribute coefs (7.29383s) stopped
T12 >> 1462357369.00412703 Send coefs to domains (171.28599s) started
T12 << 1462357369.43909097 Send coefs to domains (171.72095s) stopped
T12 << 1462357369.43955994 Blacs Orbital Layouts (47606.33029s) stopped
T12 >> 1462357369.43959594 Calculate projections (1540.61984s) started
T12 << 1462357371.17984390 Calculate projections (1542.36008s) stopped
T12 << 1462357371.18022990 LCAO eigensolver (57069.30062s) stopped
T12 >> 1462357374.34606290 Density (13352.48010s) started
T12 >> 1462357374.34607911 Pseudo density (10277.42288s) started
T12 >> 1462357374.34858108 Calculate density matrix (9646.93368s) started
T12 << 1462357386.21077394 Calculate density matrix (9658.79587s) stopped
T12 >> 1462357386.21083403 Construct density (614.19160s) started
T12 << 1462357386.99820995 Construct density (614.97898s) stopped
T12 >> 1462357387.01290298 Symmetrize density (0.06912s) started
T12 << 1462357387.01297593 Symmetrize density (0.06920s) stopped
T12 << 1462357387.01507998 Pseudo density (10290.09188s) stopped
T12 >> 1462357387.01514912 Atomic density matrices (2718.68366s) started
T12 << 1462357390.60657907 Atomic density matrices (2722.27509s) stopped
T12 >> 1462357390.60661793 Multipole moments (10.44873s) started
T12 << 1462357390.62255001 Multipole moments (10.46466s) stopped
T12 >> 1462357390.62258291 Normalize (5.47369s) started
T12 << 1462357390.62875509 Normalize (5.47986s) stopped
T12 >> 1462357390.62885308 Mix (340.38630s) started
T12 << 1462357391.07477808 Mix (340.83222s) stopped
T12 << 1462357391.07485008 Density (13369.20889s) stopped
T12 >> 1462357391.07488489 Hamiltonian (40765.17172s) started
T12 >> 1462357391.07490206 vbar (21.55079s) started
T12 << 1462357391.10120296 vbar (21.57709s) stopped
T12 >> 1462357391.10134196 XC 3D grid (22851.76376s) started
T12 >> 1462357391.61568093 van der Waals (22069.02068s) started
T12 >> 1462357391.72550893 semilocal (4665.04951s) started
T12 << 1462357397.54844189 semilocal (4670.87244s) stopped
T12 >> 1462357397.62513089 redistribute (2369.75198s) started
T12 << 1462357398.63434696 redistribute (2370.76120s) stopped
T12 >> 1462357398.63440895 libvdwxc nonlocal (14880.28033s) started
T12 << 1462357417.00410509 libvdwxc nonlocal (14898.65003s) stopped
T12 >> 1462357417.00418806 redistribute (2370.76123s) started
T12 << 1462357419.09292006 redistribute (2372.84997s) stopped
T12 << 1462357419.09405994 van der Waals (22096.49906s) stopped
T12 << 1462357419.56255198 XC 3D grid (22880.22497s) stopped
T12 >> 1462357419.56260800 Poisson (4700.53612s) started
T12 << 1462357423.97318602 Poisson (4704.94670s) stopped
T12 >> 1462357423.97333503 Hartree integrate/restrict (301.34180s) started
T12 << 1462357424.01132488 Hartree integrate/restrict (301.37979s) stopped
T12 >> 1462357424.01144791 Hartree integrate/restrict (301.37987s) started
T12 << 1462357424.35023403 Hartree integrate/restrict (301.71866s) stopped
T12 >> 1462357424.35033011 Atomic (1931.41624s) started
T12 >> 1462357424.35216999 XC Correction (0.02657s) started
T12 << 1462357424.35218692 XC Correction (0.02659s) stopped
T12 << 1462357426.68981409 Atomic (1933.75572s) stopped
T12 >> 1462357426.68996501 Communicate (10958.25017s) started
T12 << 1462357444.36415100 Communicate (10975.92435s) stopped
T12 << 1462357444.36419106 Hamiltonian (40818.46102s) stopped
T12 >> 1462357444.36421800 LCAO eigensolver (57069.30064s) started
T12 >> 1462357444.36423111 Potential matrix (849.14089s) started
T12 << 1462357445.34001398 Potential matrix (850.11667s) stopped
T12 >> 1462357445.34009910 DistributedAtomicCorrection (363.97625s) started
T12 << 1462357445.79843402 DistributedAtomicCorrection (364.43458s) stopped
T12 >> 1462357445.79849696 Distribute overlap matrix (6703.20144s) started
T12 >> 1462357445.79852295 blocked summation (3748.29686s) started
T12 << 1462357450.73671603 blocked summation (3753.23505s) stopped
T12 >> 1462357450.74687409 Scalapack redistribute (2946.36902s) started
T12 << 1462357454.30672598 Scalapack redistribute (2949.92887s) stopped
T12 << 1462357454.30681491 Distribute overlap matrix (6711.70976s) stopped
T12 >> 1462357454.31162906 Blacs Orbital Layouts (47606.33031s) started
T12 >> 1462357454.32058096 General diagonalize (47419.35383s) started
T12 << 1462357510.39853501 General diagonalize (47475.43178s) stopped
T12 >> 1462357510.39862204 Redistribute coefs (7.29386s) started
T12 << 1462357510.40769601 Redistribute coefs (7.30294s) stopped
T12 >> 1462357510.40774608 Send coefs to domains (171.72099s) started
T12 << 1462357510.68760109 Send coefs to domains (172.00085s) stopped
T12 << 1462357510.68803692 Blacs Orbital Layouts (47662.70672s) stopped
T12 >> 1462357510.68807197 Calculate projections (1542.36014s) started
T12 << 1462357512.43020201 Calculate projections (1544.10227s) stopped
T12 << 1462357512.43060303 LCAO eigensolver (57137.36703s) stopped
T12 << 1462357515.56538105 SCF-cycle (114094.07333s) stopped
T12 >> 1462357517.67145991 Force calculation (5474.74114s) started
T12 >> 1462357517.67156196 LCAO forces (5415.63942s) started
T12 >> 1462357517.67195892 Initial (0.00156s) started
T12 << 1462357517.67197108 Initial (0.00157s) stopped
T12 >> 1462357517.67889690 Get density matrix (2808.56394s) started
T12 << 1462357527.80079699 Get density matrix (2818.68584s) stopped
T12 >> 1462357527.80085301 Potential (425.59470s) started
T12 << 1462357534.11790895 Potential (431.91176s) stopped
T12 >> 1462357534.11797690 Get density matrix (2818.68588s) started
T12 << 1462357566.04349494 Get density matrix (2850.61140s) stopped
T12 >> 1462357566.04356503 Prepare TCI loop (152.20642s) started
T12 >> 1462357566.04415607 Get neighbors (135.01170s) started
T12 << 1462357568.15588403 Get neighbors (137.12343s) stopped
T12 >> 1462357568.15699911 broadcast dH (17.11231s) started
T12 << 1462357568.41269207 broadcast dH (17.36800s) stopped
T12 << 1462357568.41274095 Prepare TCI loop (154.57560s) stopped
T12 >> 1462357568.41276097 Not so complicated loop (8.25746s) started
T12 << 1462357568.53950095 Not so complicated loop (8.38420s) stopped
T12 >> 1462357568.66888094 Complicated loop (1312.82951s) started
T12 << 1462357588.81499910 Complicated loop (1332.97563s) stopped
T12 >> 1462357588.81767702 Wait for sum (699.21293s) started
T12 << 1462357600.21106696 Wait for sum (710.60632s) stopped
T12 << 1462357600.21110797 LCAO forces (5498.17897s) stopped
T12 << 1462357601.10894895 Force calculation (5558.17863s) stopped
T12 >> 1462357601.12721801 Initialization (9194.35138s) started
T12 << 1462357601.12739110 Initialization (9194.35156s) stopped
T12 >> 1462357601.12762594 Initialization (9194.35157s) started
T12 << 1462357601.12776399 Initialization (9194.35171s) stopped
T12 >> 1462357601.12790895 Initialization (9194.35173s) started
T12 << 1462357601.12806106 Initialization (9194.35188s) stopped
T12 >> 1462357621.42299104 Initialization (9194.35190s) started
T12 >> 1462357621.52964091 Basic WFS set positions (6.22464s) started
T12 >> 1462357621.52966690 Redistribute (0.02027s) started
T12 << 1462357621.52980089 Redistribute (0.02041s) stopped
T12 << 1462357621.62241006 Basic WFS set positions (6.31741s) stopped
T12 >> 1462357621.62244010 Basis functions set positions (131.59441s) started
T12 << 1462357623.60338211 Basis functions set positions (133.57535s) stopped
T12 >> 1462357623.60406208 TCI: Calculate S, T, P (1083.52684s) started
T12 << 1462357639.58455896 TCI: Calculate S, T, P (1099.50734s) stopped
T12 >> 1462357639.58461905 blocked summation (1846.16209s) started
T12 << 1462357672.27850103 blocked summation (1878.85597s) stopped
T12 >> 1462357672.28810811 Scalapack redistribute (654.08418s) started
T12 << 1462357683.50428295 Scalapack redistribute (665.30036s) stopped
T12 >> 1462357683.50536489 blocked summation (1878.85601s) started
T12 << 1462357684.53684902 blocked summation (1879.88749s) stopped
T12 >> 1462357684.54664111 Scalapack redistribute (665.30043s) started
T12 << 1462357684.76610899 Scalapack redistribute (665.51990s) stopped
T12 >> 1462357684.76824999 Redistribute (0.12933s) started
T12 << 1462357684.76877594 Redistribute (0.12985s) stopped
T12 >> 1462357686.56380796 Redistribute (0.12987s) started
T12 << 1462357686.56427598 Redistribute (0.13034s) stopped
T12 >> 1462357686.58174992 LCAO WFS Initialize (5335.38986s) started
T12 >> 1462357686.58183002 Density initialize from wavefunctions (1006.47595s) started
T12 >> 1462357686.58648610 Calculate density matrix (693.04700s) started
T12 << 1462357696.45584393 Calculate density matrix (702.91636s) stopped
T12 >> 1462357696.45589995 Construct density (53.30531s) started
T12 << 1462357697.24437904 Construct density (54.09379s) stopped
T12 >> 1462357697.25852394 Symmetrize density (0.00581s) started
T12 << 1462357697.25860190 Symmetrize density (0.00589s) stopped
T12 << 1462357701.07922602 Density initialize from wavefunctions (1020.97334s) stopped
T12 >> 1462357701.07960391 Hamiltonian (4327.97772s) started
T12 >> 1462357701.07962394 vbar (1.96159s) started
T12 << 1462357701.10894299 vbar (1.99091s) stopped
T12 >> 1462357701.10906100 XC 3D grid (2018.94123s) started
T12 >> 1462357701.67420793 van der Waals (1950.22082s) started
T12 >> 1462357701.78527999 semilocal (411.15365s) started
T12 << 1462357707.57898808 semilocal (416.94736s) stopped
T12 >> 1462357707.65446210 redistribute (218.77460s) started
T12 << 1462357708.60937405 redistribute (219.72951s) stopped
T12 >> 1462357708.60943699 libvdwxc nonlocal (1306.69394s) started
T12 << 1462357726.38377309 libvdwxc nonlocal (1324.46828s) stopped
T12 >> 1462357726.38387489 redistribute (219.72955s) started
T12 << 1462357728.37876010 redistribute (221.72443s) stopped
T12 << 1462357728.37991095 van der Waals (1976.92653s) stopped
T12 << 1462357728.82917404 XC 3D grid (2046.66134s) stopped
T12 >> 1462357728.82924008 Poisson (1001.12174s) started
T12 << 1462357738.81831789 Poisson (1011.11081s) stopped
T12 >> 1462357738.81842804 Hartree integrate/restrict (26.57941s) started
T12 << 1462357738.85754299 Hartree integrate/restrict (26.61853s) stopped
T12 >> 1462357738.85769010 Hartree integrate/restrict (26.61863s) started
T12 << 1462357739.18200994 Hartree integrate/restrict (26.94295s) stopped
T12 >> 1462357739.18212605 Atomic (168.40793s) started
T12 >> 1462357739.18440700 XC Correction (0.00253s) started
T12 << 1462357739.18442798 XC Correction (0.00255s) stopped
T12 << 1462357741.50131989 Atomic (170.72712s) stopped
T12 >> 1462357741.50151610 Communicate (1110.91217s) started
T12 << 1462357760.77798796 Communicate (1130.18864s) stopped
T12 << 1462357760.77802992 Hamiltonian (4387.67615s) stopped
T12 << 1462357760.77804494 LCAO WFS Initialize (5409.58616s) stopped
T12 << 1462357760.79044390 Initialization (9333.71935s) stopped
T12 >> 1462357760.81712103 SCF-cycle (114094.07335s) started
T12 >> 1462357760.81716394 LCAO eigensolver (57137.36705s) started
T12 >> 1462357760.81717610 Potential matrix (850.11672s) started
T12 << 1462357761.79141498 Potential matrix (851.09096s) stopped
T12 >> 1462357761.79151201 DistributedAtomicCorrection (364.43462s) started
T12 << 1462357762.24717999 DistributedAtomicCorrection (364.89029s) stopped
T12 >> 1462357762.24722695 Distribute overlap matrix (6711.70978s) started
T12 >> 1462357762.24726605 blocked summation (3753.23509s) started
T12 << 1462357767.05783296 blocked summation (3758.04565s) stopped
T12 >> 1462357767.06855989 Scalapack redistribute (2949.92891s) started
T12 << 1462357770.79581094 Scalapack redistribute (2953.65616s) stopped
T12 << 1462357770.79591489 Distribute overlap matrix (6720.25847s) stopped
T12 >> 1462357770.79991102 Blacs Orbital Layouts (47662.70674s) started
T12 >> 1462357770.80876398 General diagonalize (47475.43185s) started
T12 << 1462357828.60355401 General diagonalize (47533.22664s) stopped
T12 >> 1462357828.60364199 Redistribute coefs (7.30298s) started
T12 << 1462357828.61369395 Redistribute coefs (7.31303s) stopped
T12 >> 1462357828.61374497 Send coefs to domains (172.00089s) started
T12 << 1462357828.95593500 Send coefs to domains (172.34308s) stopped
T12 << 1462357828.95645404 Blacs Orbital Layouts (47720.86328s) stopped
T12 >> 1462357828.95648408 Calculate projections (1544.10232s) started
T12 << 1462357830.69873905 Calculate projections (1545.84458s) stopped
T12 << 1462357830.69917107 LCAO eigensolver (57207.24905s) stopped
T12 >> 1462357833.82022595 Density (13369.20891s) started
T12 >> 1462357833.82024097 Pseudo density (10290.09193s) started
T12 >> 1462357833.82248902 Calculate density matrix (9658.79591s) started
T12 << 1462357845.77811790 Calculate density matrix (9670.75154s) stopped
T12 >> 1462357845.77817392 Construct density (614.97904s) started
T12 << 1462357846.59542990 Construct density (615.79629s) stopped
T12 >> 1462357846.60945797 Symmetrize density (0.06922s) started
T12 << 1462357846.60953593 Symmetrize density (0.06929s) stopped
T12 << 1462357846.61150908 Pseudo density (10302.88320s) stopped
T12 >> 1462357846.61157894 Atomic density matrices (2722.27512s) started
T12 << 1462357850.13906193 Atomic density matrices (2725.80260s) stopped
T12 >> 1462357850.13909793 Multipole moments (10.46468s) started
T12 << 1462357850.15537500 Multipole moments (10.48096s) stopped
T12 >> 1462357850.15540004 Normalize (5.47994s) started
T12 << 1462357850.16169310 Normalize (5.48623s) stopped
T12 >> 1462357850.16174412 Mix (340.83229s) started
T12 << 1462357850.51346707 Mix (341.18402s) stopped
T12 << 1462357850.51352310 Density (13385.90220s) stopped
T12 >> 1462357850.51355004 Hamiltonian (40818.46104s) started
T12 >> 1462357850.51356506 vbar (21.57718s) started
T12 << 1462357850.53764391 vbar (21.60126s) stopped
T12 >> 1462357850.53777289 XC 3D grid (22880.22501s) started
T12 >> 1462357851.23490810 van der Waals (22096.49909s) started
T12 >> 1462357851.35446191 semilocal (4670.87252s) started
T12 << 1462357857.14898992 semilocal (4676.66705s) stopped
T12 >> 1462357857.22693110 redistribute (2372.85002s) started
T12 << 1462357858.20062804 redistribute (2373.82372s) stopped
T12 >> 1462357858.20067811 libvdwxc nonlocal (14898.65009s) started
T12 << 1462357876.15382791 libvdwxc nonlocal (14916.60324s) stopped
T12 >> 1462357876.15390992 redistribute (2373.82376s) started
T12 << 1462357878.22692394 redistribute (2375.89677s) stopped
T12 << 1462357878.22838402 van der Waals (22123.49257s) stopped
T12 << 1462357878.68981194 XC 3D grid (22908.37705s) stopped
T12 >> 1462357878.68986392 Poisson (4704.94681s) started
T12 << 1462357883.14669895 Poisson (4709.40365s) stopped
T12 >> 1462357883.14678502 Hartree integrate/restrict (301.71870s) started
T12 << 1462357883.18868208 Hartree integrate/restrict (301.76060s) stopped
T12 >> 1462357883.18876290 Hartree integrate/restrict (301.76065s) started
T12 << 1462357883.53686690 Hartree integrate/restrict (302.10876s) stopped
T12 >> 1462357883.53694606 Atomic (1933.75575s) started
T12 >> 1462357883.53896308 XC Correction (0.02660s) started
T12 << 1462357883.53900695 XC Correction (0.02665s) stopped
T12 << 1462357885.86067390 Atomic (1936.07948s) stopped
T12 >> 1462357885.86087990 Communicate (10975.92438s) started
T12 << 1462357905.13546991 Communicate (10995.19897s) stopped
T12 << 1462357905.13551092 Hamiltonian (40873.08300s) stopped
T12 >> 1462357905.13553810 LCAO eigensolver (57207.24907s) started
T12 >> 1462357905.13555098 Potential matrix (851.09101s) started
T12 << 1462357906.11414504 Potential matrix (852.06961s) stopped
T12 >> 1462357906.11422491 DistributedAtomicCorrection (364.89033s) started
T12 << 1462357906.55064797 DistributedAtomicCorrection (365.32675s) stopped
T12 >> 1462357906.55069494 Distribute overlap matrix (6720.25848s) started
T12 >> 1462357906.55072689 blocked summation (3758.04569s) started
T12 << 1462357911.31678510 blocked summation (3762.81175s) stopped
T12 >> 1462357911.32675505 Scalapack redistribute (2953.65622s) started
T12 << 1462357915.06997609 Scalapack redistribute (2957.39944s) stopped
T12 << 1462357915.07009602 Distribute overlap matrix (6728.77788s) stopped
T12 >> 1462357915.07413411 Blacs Orbital Layouts (47720.86330s) started
T12 >> 1462357915.08274508 General diagonalize (47533.22671s) started
T12 << 1462357969.98180103 General diagonalize (47588.12577s) stopped
T12 >> 1462357969.98184896 Redistribute coefs (7.31307s) started
T12 << 1462357969.99156809 Redistribute coefs (7.32279s) stopped
T12 >> 1462357969.99161005 Send coefs to domains (172.34312s) started
T12 << 1462357970.41916203 Send coefs to domains (172.77067s) stopped
T12 << 1462357970.41970396 Blacs Orbital Layouts (47776.20887s) stopped
T12 >> 1462357970.41973209 Calculate projections (1545.84464s) started
T12 << 1462357972.15638494 Calculate projections (1547.58129s) stopped
T12 << 1462357972.15689111 LCAO eigensolver (57274.27043s) stopped
T12 >> 1462357975.31721497 Density (13385.90222s) started
T12 >> 1462357975.31722903 Pseudo density (10302.88326s) started
T12 >> 1462357975.31967998 Calculate density matrix (9670.75158s) started
T12 << 1462357987.21502399 Calculate density matrix (9682.64693s) stopped
T12 >> 1462357987.21507311 Construct density (615.79635s) started
T12 << 1462357988.03346705 Construct density (616.61475s) stopped
T12 >> 1462357988.05048108 Symmetrize density (0.06931s) started
T12 << 1462357988.05054808 Symmetrize density (0.06938s) stopped
T12 << 1462357988.05303192 Pseudo density (10315.61906s) stopped
T12 >> 1462357988.05309105 Atomic density matrices (2725.80263s) started
T12 << 1462357991.60742593 Atomic density matrices (2729.35696s) stopped
T12 >> 1462357991.60745907 Multipole moments (10.48097s) started
T12 << 1462357991.62343907 Multipole moments (10.49695s) stopped
T12 >> 1462357991.62347198 Normalize (5.48627s) started
T12 << 1462357991.63032103 Normalize (5.49312s) stopped
T12 >> 1462357991.63035989 Mix (341.18407s) started
T12 << 1462357992.00792789 Mix (341.56164s) stopped
T12 << 1462357992.00799489 Density (13402.59300s) stopped
T12 >> 1462357992.00802302 Hamiltonian (40873.08301s) started
T12 >> 1462357992.00803804 vbar (21.60133s) started
T12 << 1462357992.03218603 vbar (21.62548s) stopped
T12 >> 1462357992.03232408 XC 3D grid (22908.37709s) started
T12 >> 1462357992.53274298 van der Waals (22123.49260s) started
T12 >> 1462357992.64926696 semilocal (4676.66713s) started
T12 << 1462357998.42792296 semilocal (4682.44578s) stopped
T12 >> 1462357998.50186896 redistribute (2375.89684s) started
T12 << 1462357999.53564501 redistribute (2376.93062s) stopped
T12 >> 1462357999.53568912 libvdwxc nonlocal (14916.60330s) started
T12 << 1462358017.86280203 libvdwxc nonlocal (14934.93042s) stopped
T12 >> 1462358017.86285901 redistribute (2376.93065s) started
T12 << 1462358019.55122304 redistribute (2378.61901s) stopped
T12 << 1462358019.55299807 van der Waals (22150.51286s) stopped
T12 << 1462358019.99242806 XC 3D grid (22936.33719s) stopped
T12 >> 1462358019.99247098 Poisson (4709.40371s) started
T12 << 1462358026.02099204 Poisson (4715.43223s) stopped
T12 >> 1462358026.02110291 Hartree integrate/restrict (302.10879s) started
T12 << 1462358026.06409311 Hartree integrate/restrict (302.15178s) stopped
T12 >> 1462358026.06426501 Hartree integrate/restrict (302.15191s) started
T12 << 1462358026.39533305 Hartree integrate/restrict (302.48297s) stopped
T12 >> 1462358026.39543605 Atomic (1936.07950s) started
T12 >> 1462358026.39731097 XC Correction (0.02666s) started
T12 << 1462358026.39732599 XC Correction (0.02667s) stopped
T12 << 1462358028.71591711 Atomic (1938.39998s) stopped
T12 >> 1462358028.71611094 Communicate (10995.19900s) started
T12 << 1462358047.96074796 Communicate (11014.44363s) stopped
T12 << 1462358047.96083212 Hamiltonian (40929.03582s) stopped
T12 >> 1462358047.96086001 LCAO eigensolver (57274.27044s) started
T12 >> 1462358047.96087408 Potential matrix (852.06965s) started
T12 << 1462358048.93895507 Potential matrix (853.04773s) stopped
T12 >> 1462358048.93903399 DistributedAtomicCorrection (365.32679s) started
T12 << 1462358049.38560390 DistributedAtomicCorrection (365.77336s) stopped
T12 >> 1462358049.38565302 Distribute overlap matrix (6728.77789s) started
T12 >> 1462358049.38568997 blocked summation (3762.81178s) started
T12 << 1462358054.19967103 blocked summation (3767.62576s) stopped
T12 >> 1462358054.20968509 Scalapack redistribute (2957.39951s) started
T12 << 1462358057.89450192 Scalapack redistribute (2961.08433s) stopped
T12 << 1462358057.89462209 Distribute overlap matrix (6737.28686s) stopped
T12 >> 1462358057.89931798 Blacs Orbital Layouts (47776.20889s) started
T12 >> 1462358057.90870404 General diagonalize (47588.12581s) started
T12 << 1462358115.83400297 General diagonalize (47646.05111s) stopped
T12 >> 1462358115.83405709 Redistribute coefs (7.32282s) started
T12 << 1462358115.84388089 Redistribute coefs (7.33264s) stopped
T12 >> 1462358115.84393191 Send coefs to domains (172.77070s) started
T12 << 1462358115.99364805 Send coefs to domains (172.92042s) stopped
T12 << 1462358115.99406409 Blacs Orbital Layouts (47834.30364s) stopped
T12 >> 1462358115.99409509 Calculate projections (1547.58134s) started
T12 << 1462358117.73548388 Calculate projections (1549.32273s) stopped
T12 << 1462358117.73588705 LCAO eigensolver (57344.04547s) stopped
T12 >> 1462358120.88722992 Density (13402.59301s) started
T12 >> 1462358120.88724494 Pseudo density (10315.61911s) started
T12 >> 1462358120.88923907 Calculate density matrix (9682.64697s) started
T12 << 1462358132.84292889 Calculate density matrix (9694.60066s) stopped
T12 >> 1462358132.84298801 Construct density (616.61480s) started
T12 << 1462358133.66154599 Construct density (617.43336s) stopped
T12 >> 1462358133.67590904 Symmetrize density (0.06940s) started
T12 << 1462358133.67598605 Symmetrize density (0.06947s) stopped
T12 << 1462358133.67809296 Pseudo density (10328.40996s) stopped
T12 >> 1462358133.67815900 Atomic density matrices (2729.35699s) started
T12 << 1462358137.19847894 Atomic density matrices (2732.87731s) stopped
T12 >> 1462358137.19851494 Multipole moments (10.49697s) started
T12 << 1462358137.21515703 Multipole moments (10.51361s) stopped
T12 >> 1462358137.21519208 Normalize (5.49314s) started
T12 << 1462358137.22137594 Normalize (5.49933s) stopped
T12 >> 1462358137.22148490 Mix (341.56171s) started
T12 << 1462358137.62493610 Mix (341.96516s) stopped
T12 << 1462358137.62500000 Density (13419.33078s) stopped
T12 >> 1462358137.62502789 Hamiltonian (40929.03583s) started
T12 >> 1462358137.62504506 vbar (21.62557s) started
T12 << 1462358137.65065908 vbar (21.65118s) stopped
T12 >> 1462358137.65076303 XC 3D grid (22936.33723s) started
T12 >> 1462358138.19787192 van der Waals (22150.51290s) started
T12 >> 1462358138.31353307 semilocal (4682.44586s) started
T12 << 1462358144.04960299 semilocal (4688.18193s) stopped
T12 >> 1462358144.12996793 redistribute (2378.61910s) started
T12 << 1462358145.17896605 redistribute (2379.66810s) stopped
T12 >> 1462358145.17901707 libvdwxc nonlocal (14934.93046s) started
T12 << 1462358163.35069990 libvdwxc nonlocal (14953.10214s) stopped
T12 >> 1462358163.35077405 redistribute (2379.66813s) started
T12 << 1462358165.35759211 redistribute (2381.67495s) stopped
T12 << 1462358165.35855508 van der Waals (22177.67358s) stopped
T12 << 1462358165.81137896 XC 3D grid (22964.49784s) stopped
T12 >> 1462358165.81144404 Poisson (4715.43231s) started
T12 << 1462358170.22552395 Poisson (4719.84639s) stopped
T12 >> 1462358170.22558808 Hartree integrate/restrict (302.48303s) started
T12 << 1462358170.27698994 Hartree integrate/restrict (302.53443s) stopped
T12 >> 1462358170.27703094 Hartree integrate/restrict (302.53445s) started
T12 << 1462358170.59590912 Hartree integrate/restrict (302.85333s) stopped
T12 >> 1462358170.59601212 Atomic (1938.40001s) started
T12 >> 1462358170.59776902 XC Correction (0.02669s) started
T12 << 1462358170.59779000 XC Correction (0.02671s) stopped
T12 << 1462358172.92780590 Atomic (1940.73180s) stopped
T12 >> 1462358172.92798710 Communicate (11014.44366s) started
T12 << 1462358192.15781999 Communicate (11033.67349s) stopped
T12 << 1462358192.15785909 Hamiltonian (40983.56866s) stopped
T12 >> 1462358192.15788388 LCAO eigensolver (57344.04549s) started
T12 >> 1462358192.15789700 Potential matrix (853.04778s) started
T12 << 1462358193.13223696 Potential matrix (854.02212s) stopped
T12 >> 1462358193.13230896 DistributedAtomicCorrection (365.77340s) started
T12 << 1462358193.57165003 DistributedAtomicCorrection (366.21274s) stopped
T12 >> 1462358193.57169700 Distribute overlap matrix (6737.28688s) started
T12 >> 1462358193.57172799 blocked summation (3767.62580s) started
T12 << 1462358198.40101004 blocked summation (3772.45508s) stopped
T12 >> 1462358198.41037107 Scalapack redistribute (2961.08440s) started
T12 << 1462358202.05022001 Scalapack redistribute (2964.72425s) stopped
T12 << 1462358202.05033302 Distribute overlap matrix (6745.76551s) stopped
T12 >> 1462358202.05504107 Blacs Orbital Layouts (47834.30366s) started
T12 >> 1462358202.06404591 General diagonalize (47646.05115s) started
T12 << 1462358258.11004591 General diagonalize (47702.09715s) stopped
T12 >> 1462358258.11009097 Redistribute coefs (7.33268s) started
T12 << 1462358258.11919498 Redistribute coefs (7.34178s) stopped
T12 >> 1462358258.11923695 Send coefs to domains (172.92045s) started
T12 << 1462358258.43581605 Send coefs to domains (173.23703s) stopped
T12 << 1462358258.43633604 Blacs Orbital Layouts (47890.68495s) stopped
T12 >> 1462358258.43636394 Calculate projections (1549.32280s) started
T12 << 1462358260.16616392 Calculate projections (1551.05260s) stopped
T12 << 1462358260.16652489 LCAO eigensolver (57412.05413s) stopped
T12 >> 1462358263.31384802 Density (13419.33079s) started
T12 >> 1462358263.31386304 Pseudo density (10328.41001s) started
T12 >> 1462358263.31632900 Calculate density matrix (9694.60070s) started
T12 << 1462358275.49964404 Calculate density matrix (9706.78401s) stopped
T12 >> 1462358275.49969196 Construct density (617.43342s) started
T12 << 1462358276.31559896 Construct density (618.24932s) stopped
T12 >> 1462358276.33183002 Symmetrize density (0.06949s) started
T12 << 1462358276.33189511 Symmetrize density (0.06955s) stopped
T12 << 1462358276.33431911 Pseudo density (10341.43046s) stopped
T12 >> 1462358276.33437991 Atomic density matrices (2732.87734s) started
T12 << 1462358279.86490798 Atomic density matrices (2736.40787s) stopped
T12 >> 1462358279.86494207 Multipole moments (10.51363s) started
T12 << 1462358279.88156009 Multipole moments (10.53025s) stopped
T12 >> 1462358279.88158989 Normalize (5.49941s) started
T12 << 1462358279.88949108 Normalize (5.50732s) stopped
T12 >> 1462358279.88953900 Mix (341.96522s) started
T12 << 1462358280.32070088 Mix (342.39638s) stopped
T12 << 1462358280.32079697 Density (13436.33774s) stopped
T12 >> 1462358280.32085395 Hamiltonian (40983.56868s) started
T12 >> 1462358280.32087302 vbar (21.65124s) started
T12 << 1462358280.35147691 vbar (21.68185s) stopped
T12 >> 1462358280.35160589 XC 3D grid (22964.49789s) started
T12 >> 1462358280.88149309 van der Waals (22177.67361s) started
T12 >> 1462358280.99742389 semilocal (4688.18207s) started
T12 << 1462358286.79892206 semilocal (4693.98356s) stopped
T12 >> 1462358286.87209201 redistribute (2381.67502s) started
T12 << 1462358287.88302588 redistribute (2382.68595s) stopped
T12 >> 1462358287.88309312 libvdwxc nonlocal (14953.10220s) started
T12 << 1462358305.84702992 libvdwxc nonlocal (14971.06614s) stopped
T12 >> 1462358305.84710693 redistribute (2382.68599s) started
T12 << 1462358307.96015811 redistribute (2384.79904s) stopped
T12 << 1462358307.96102905 van der Waals (22204.75314s) stopped
T12 << 1462358308.41244602 XC 3D grid (22992.55873s) stopped
T12 >> 1462358308.41250992 Poisson (4719.84644s) started
T12 << 1462358312.88429594 Poisson (4724.31823s) stopped
T12 >> 1462358312.88437510 Hartree integrate/restrict (302.85338s) started
T12 << 1462358312.93136692 Hartree integrate/restrict (302.90037s) stopped
T12 >> 1462358312.93141699 Hartree integrate/restrict (302.90041s) started
T12 << 1462358313.24863505 Hartree integrate/restrict (303.21763s) stopped
T12 >> 1462358313.24872494 Atomic (1940.73182s) started
T12 >> 1462358313.25048089 XC Correction (0.02672s) started
T12 << 1462358313.25049710 XC Correction (0.02673s) stopped
T12 << 1462358315.58375311 Atomic (1943.06685s) stopped
T12 >> 1462358315.58393002 Communicate (11033.67352s) started
T12 << 1462358334.34530997 Communicate (11052.43490s) stopped
T12 << 1462358334.34534907 Hamiltonian (41037.59318s) stopped
T12 >> 1462358334.34537411 LCAO eigensolver (57412.05415s) started
T12 >> 1462358334.34538794 Potential matrix (854.02216s) started
T12 << 1462358335.32762790 Potential matrix (855.00440s) stopped
T12 >> 1462358335.32771301 DistributedAtomicCorrection (366.21277s) started
T12 << 1462358335.77300310 DistributedAtomicCorrection (366.65807s) stopped
T12 >> 1462358335.77306700 Distribute overlap matrix (6745.76553s) started
T12 >> 1462358335.77308893 blocked summation (3772.45511s) started
T12 << 1462358340.58193707 blocked summation (3777.26396s) stopped
T12 >> 1462358340.59055805 Scalapack redistribute (2964.72432s) started
T12 << 1462358344.31131005 Scalapack redistribute (2968.44507s) stopped
T12 << 1462358344.31139302 Distribute overlap matrix (6754.30385s) stopped
T12 >> 1462358344.31603003 Blacs Orbital Layouts (47890.68497s) started
T12 >> 1462358344.32495499 General diagonalize (47702.09719s) started
T12 << 1462358399.87230110 General diagonalize (47757.64454s) stopped
T12 >> 1462358399.87234712 Redistribute coefs (7.34181s) started
T12 << 1462358399.88149309 Redistribute coefs (7.35096s) stopped
T12 >> 1462358399.88155794 Send coefs to domains (173.23707s) started
T12 << 1462358399.98773193 Send coefs to domains (173.34324s) stopped
T12 << 1462358399.98806906 Blacs Orbital Layouts (47946.35701s) stopped
T12 >> 1462358399.98813200 Calculate projections (1551.05265s) started
T12 << 1462358401.71729898 Calculate projections (1552.78181s) stopped
T12 << 1462358401.71749401 LCAO eigensolver (57479.42627s) stopped
T12 >> 1462358404.89480996 Density (13436.33777s) started
T12 >> 1462358404.89482594 Pseudo density (10341.43051s) started
T12 >> 1462358404.89748001 Calculate density matrix (9706.78405s) started
T12 << 1462358416.83603501 Calculate density matrix (9718.72260s) stopped
T12 >> 1462358416.83608198 Construct density (618.24937s) started
T12 << 1462358417.65227509 Construct density (619.06557s) stopped
T12 >> 1462358417.66868806 Symmetrize density (0.06957s) started
T12 << 1462358417.66875410 Symmetrize density (0.06964s) stopped
T12 << 1462358417.67120099 Pseudo density (10354.20689s) stopped
T12 >> 1462358417.67125893 Atomic density matrices (2736.40789s) started
T12 << 1462358421.23558688 Atomic density matrices (2739.97222s) stopped
T12 >> 1462358421.23562002 Multipole moments (10.53026s) started
T12 << 1462358421.25216889 Multipole moments (10.54681s) stopped
T12 >> 1462358421.25220108 Normalize (5.50735s) started
T12 << 1462358421.26011705 Normalize (5.51527s) stopped
T12 >> 1462358421.26016307 Mix (342.39647s) started
T12 << 1462358421.71225405 Mix (342.84857s) stopped
T12 << 1462358421.71233106 Density (13453.15529s) stopped
T12 >> 1462358421.71236110 Hamiltonian (41037.59319s) started
T12 >> 1462358421.71240711 vbar (21.68192s) started
T12 << 1462358421.73438501 vbar (21.70390s) stopped
T12 >> 1462358421.73447394 XC 3D grid (22992.55879s) started
T12 >> 1462358422.31272602 van der Waals (22204.75317s) started
T12 >> 1462358422.42911696 semilocal (4693.98365s) started
T12 << 1462358428.18957305 semilocal (4699.74410s) stopped
T12 >> 1462358428.26403999 redistribute (2384.79910s) started
T12 << 1462358429.27533889 redistribute (2385.81040s) stopped
T12 >> 1462358429.27541900 libvdwxc nonlocal (14971.06619s) started
T12 << 1462358447.23544312 libvdwxc nonlocal (14989.02622s) stopped
T12 >> 1462358447.23550105 redistribute (2385.81046s) started
T12 << 1462358449.03297591 redistribute (2387.60793s) stopped
T12 << 1462358449.03450489 van der Waals (22231.47495s) stopped
T12 << 1462358449.48774910 XC 3D grid (23020.31206s) stopped
T12 >> 1462358449.48779202 Poisson (4724.31829s) started
T12 << 1462358455.34385800 Poisson (4730.17435s) stopped
T12 >> 1462358455.34393811 Hartree integrate/restrict (303.21767s) started
T12 << 1462358455.38733292 Hartree integrate/restrict (303.26107s) stopped
T12 >> 1462358455.38742495 Hartree integrate/restrict (303.26113s) started
T12 << 1462358455.71879005 Hartree integrate/restrict (303.59249s) stopped
T12 >> 1462358455.71888208 Atomic (1943.06687s) started
T12 >> 1462358455.72065496 XC Correction (0.02674s) started
T12 << 1462358455.72066903 XC Correction (0.02676s) stopped
T12 << 1462358458.04513693 Atomic (1945.39313s) stopped
T12 >> 1462358458.04530811 Communicate (11052.43493s) started
T12 << 1462358476.00823593 Communicate (11070.39785s) stopped
T12 << 1462358476.00827193 Hamiltonian (41091.88910s) stopped
T12 >> 1462358476.00829697 LCAO eigensolver (57479.42629s) started
T12 >> 1462358476.00831008 Potential matrix (855.00445s) started
T12 << 1462358476.99582601 Potential matrix (855.99197s) stopped
T12 >> 1462358476.99589705 DistributedAtomicCorrection (366.65810s) started
T12 << 1462358477.44408393 DistributedAtomicCorrection (367.10629s) stopped
T12 >> 1462358477.44414711 Distribute overlap matrix (6754.30387s) started
T12 >> 1462358477.44416904 blocked summation (3777.26399s) started
T12 << 1462358482.23987293 blocked summation (3782.05969s) stopped
T12 >> 1462358482.24911690 Scalapack redistribute (2968.44513s) started
T12 << 1462358486.04014707 Scalapack redistribute (2972.23616s) stopped
T12 << 1462358486.04024696 Distribute overlap matrix (6762.89997s) stopped
T12 >> 1462358486.04458404 Blacs Orbital Layouts (47946.35703s) started
T12 >> 1462358486.05365610 General diagonalize (47757.64457s) started
T12 << 1462358543.07006311 General diagonalize (47814.66098s) stopped
T12 >> 1462358543.07010889 Redistribute coefs (7.35101s) started
T12 << 1462358543.07921600 Redistribute coefs (7.36012s) stopped
T12 >> 1462358543.07927704 Send coefs to domains (173.34327s) started
T12 << 1462358543.16498709 Send coefs to domains (173.42898s) stopped
T12 << 1462358543.16531491 Blacs Orbital Layouts (48003.47776s) stopped
T12 >> 1462358543.16534710 Calculate projections (1552.78186s) started
T12 << 1462358544.89694095 Calculate projections (1554.51346s) stopped
T12 << 1462358544.89729404 LCAO eigensolver (57548.31529s) stopped
T12 >> 1462358548.04703403 Density (13453.15531s) started
T12 >> 1462358548.04704905 Pseudo density (10354.20693s) started
T12 >> 1462358548.04948902 Calculate density matrix (9718.72263s) started
T12 << 1462358559.99873400 Calculate density matrix (9730.67188s) stopped
T12 >> 1462358559.99878192 Construct density (619.06562s) started
T12 << 1462358560.81628489 Construct density (619.88312s) stopped
T12 >> 1462358560.83255506 Symmetrize density (0.06965s) started
T12 << 1462358560.83261800 Symmetrize density (0.06972s) stopped
T12 << 1462358560.83504510 Pseudo density (10366.99493s) stopped
T12 >> 1462358560.83510089 Atomic density matrices (2739.97224s) started
T12 << 1462358564.36712909 Atomic density matrices (2743.50427s) stopped
T12 >> 1462358564.36716294 Multipole moments (10.54683s) started
T12 << 1462358564.38390708 Multipole moments (10.56358s) stopped
T12 >> 1462358564.38393903 Normalize (5.51530s) started
T12 << 1462358564.39075089 Normalize (5.52211s) stopped
T12 >> 1462358564.39079309 Mix (342.84864s) started
T12 << 1462358564.82412291 Mix (343.28197s) stopped
T12 << 1462358564.82417989 Density (13469.93245s) stopped
T12 >> 1462358564.82420611 Hamiltonian (41091.88911s) started
T12 >> 1462358564.82421994 vbar (21.70394s) started
T12 << 1462358564.84635305 vbar (21.72608s) stopped
T12 >> 1462358564.84647012 XC 3D grid (23020.31209s) started
T12 >> 1462358565.34475899 van der Waals (22231.47498s) started
T12 >> 1462358565.45799303 semilocal (4699.74422s) started
T12 << 1462358571.24010801 semilocal (4705.52633s) stopped
T12 >> 1462358571.31610799 redistribute (2387.60799s) started
T12 << 1462358572.32487798 redistribute (2388.61676s) stopped
T12 >> 1462358572.32494307 libvdwxc nonlocal (14989.02626s) started
T12 << 1462358590.90711188 libvdwxc nonlocal (15007.60843s) stopped
T12 >> 1462358590.90717506 redistribute (2388.61681s) started
T12 << 1462358592.69851398 redistribute (2390.40815s) stopped
T12 << 1462358592.70002794 van der Waals (22258.83025s) stopped
T12 << 1462358593.14163089 XC 3D grid (23048.60725s) stopped
T12 >> 1462358593.14169502 Poisson (4730.17441s) started
T12 << 1462358597.72508597 Poisson (4734.75780s) stopped
T12 >> 1462358597.72518897 Hartree integrate/restrict (303.59254s) started
T12 << 1462358597.76476693 Hartree integrate/restrict (303.63212s) stopped
T12 >> 1462358597.76487494 Hartree integrate/restrict (303.63220s) started
T12 << 1462358598.12943196 Hartree integrate/restrict (303.99675s) stopped
T12 >> 1462358598.12951589 Atomic (1945.39315s) started
T12 >> 1462358598.13139701 XC Correction (0.02677s) started
T12 << 1462358598.13141608 XC Correction (0.02679s) stopped
T12 << 1462358600.45623398 Atomic (1947.71987s) stopped
T12 >> 1462358600.45641303 Communicate (11070.39788s) started
T12 << 1462358618.47879100 Communicate (11088.42026s) stopped
T12 << 1462358618.47883606 Hamiltonian (41145.54374s) stopped
T12 >> 1462358618.47886395 LCAO eigensolver (57548.31530s) started
T12 >> 1462358618.47887802 Potential matrix (855.99201s) started
T12 << 1462358619.46076298 Potential matrix (856.97389s) stopped
T12 >> 1462358619.46086097 DistributedAtomicCorrection (367.10633s) started
T12 << 1462358619.91001201 DistributedAtomicCorrection (367.55548s) stopped
T12 >> 1462358619.91008091 Distribute overlap matrix (6762.89998s) started
T12 >> 1462358619.91010594 blocked summation (3782.05973s) started
T12 << 1462358624.76312804 blocked summation (3786.91275s) stopped
T12 >> 1462358624.77275395 Scalapack redistribute (2972.23622s) started
T12 << 1462358628.46106505 Scalapack redistribute (2975.92453s) stopped
T12 << 1462358628.46117306 Distribute overlap matrix (6771.45107s) stopped
T12 >> 1462358628.46567702 Blacs Orbital Layouts (48003.47778s) started
T12 >> 1462358628.47439909 General diagonalize (47814.66102s) started
T12 << 1462358685.32833004 General diagonalize (47871.51495s) stopped
T12 >> 1462358685.32838392 Redistribute coefs (7.36017s) started
T12 << 1462358685.33769894 Redistribute coefs (7.36948s) stopped
T12 >> 1462358685.33775210 Send coefs to domains (173.42902s) started
T12 << 1462358685.54116106 Send coefs to domains (173.63242s) stopped
T12 << 1462358685.54169798 Blacs Orbital Layouts (48060.55380s) stopped
T12 >> 1462358685.54175591 Calculate projections (1554.51350s) started
T12 << 1462358687.27242994 Calculate projections (1556.24418s) stopped
T12 << 1462358687.27291894 LCAO eigensolver (57617.10936s) stopped
T12 >> 1462358690.43338394 Density (13469.93247s) started
T12 >> 1462358690.43339992 Pseudo density (10366.99498s) started
T12 >> 1462358690.43624592 Calculate density matrix (9730.67191s) started
T12 << 1462358702.70783210 Calculate density matrix (9742.94350s) stopped
T12 >> 1462358702.70788097 Construct density (619.88317s) started
T12 << 1462358703.52325106 Construct density (620.69854s) stopped
T12 >> 1462358703.53958201 Symmetrize density (0.06973s) started
T12 << 1462358703.53964496 Symmetrize density (0.06980s) stopped
T12 << 1462358703.54209495 Pseudo density (10380.10367s) stopped
T12 >> 1462358703.54215288 Atomic density matrices (2743.50430s) started
T12 << 1462358707.11866593 Atomic density matrices (2747.08081s) stopped
T12 >> 1462358707.11870098 Multipole moments (10.56359s) started
T12 << 1462358707.13528609 Multipole moments (10.58018s) stopped
T12 >> 1462358707.13531590 Normalize (5.52214s) started
T12 << 1462358707.14212704 Normalize (5.52895s) stopped
T12 >> 1462358707.14216709 Mix (343.28203s) started
T12 << 1462358707.59516311 Mix (343.73502s) stopped
T12 << 1462358707.59519410 Density (13487.09428s) stopped
T12 >> 1462358707.59521890 Hamiltonian (41145.54375s) started
T12 >> 1462358707.59523201 vbar (21.72615s) started
T12 << 1462358707.62298393 vbar (21.75390s) stopped
T12 >> 1462358707.62313104 XC 3D grid (23048.60731s) started
T12 >> 1462358708.12100005 van der Waals (22258.83030s) started
T12 >> 1462358708.23463893 semilocal (4705.52645s) started
T12 << 1462358713.98255897 semilocal (4711.27437s) stopped
T12 >> 1462358714.05612707 redistribute (2390.40824s) started
T12 << 1462358715.12237597 redistribute (2391.47449s) stopped
T12 >> 1462358715.12242103 libvdwxc nonlocal (15007.60848s) started
T12 << 1462358733.54168701 libvdwxc nonlocal (15026.02775s) stopped
T12 >> 1462358733.54172897 redistribute (2391.47453s) started
T12 << 1462358735.29518509 redistribute (2393.22798s) stopped
T12 << 1462358735.29667711 van der Waals (22286.00598s) stopped
T12 << 1462358735.74409604 XC 3D grid (23076.72827s) stopped
T12 >> 1462358735.74413896 Poisson (4734.75787s) started
T12 << 1462358740.25000191 Poisson (4739.26374s) stopped
T12 >> 1462358740.25008893 Hartree integrate/restrict (303.99679s) started
T12 << 1462358740.29370594 Hartree integrate/restrict (304.04041s) stopped
T12 >> 1462358740.29375100 Hartree integrate/restrict (304.04043s) started
T12 << 1462358740.60976100 Hartree integrate/restrict (304.35644s) stopped
T12 >> 1462358740.60986710 Atomic (1947.71989s) started
T12 >> 1462358740.61166906 XC Correction (0.02680s) started
T12 << 1462358740.61168504 XC Correction (0.02682s) stopped
T12 << 1462358742.93680406 Atomic (1950.04683s) stopped
T12 >> 1462358742.93696594 Communicate (11088.42029s) started
T12 << 1462358760.87725401 Communicate (11106.36057s) stopped
T12 << 1462358760.87728596 Hamiltonian (41198.82582s) stopped
T12 >> 1462358760.87731004 LCAO eigensolver (57617.10938s) started
T12 >> 1462358760.87732196 Potential matrix (856.97394s) started
T12 << 1462358761.85698295 Potential matrix (857.95361s) stopped
T12 >> 1462358761.85705495 DistributedAtomicCorrection (367.55552s) started
T12 << 1462358762.29355693 DistributedAtomicCorrection (367.99202s) stopped
T12 >> 1462358762.29361510 Distribute overlap matrix (6771.45108s) started
T12 >> 1462358762.29363704 blocked summation (3786.91278s) started
T12 << 1462358767.16355991 blocked summation (3791.78270s) stopped
T12 >> 1462358767.17322707 Scalapack redistribute (2975.92459s) started
T12 << 1462358770.83629489 Scalapack redistribute (2979.58766s) stopped
T12 << 1462358770.83639789 Distribute overlap matrix (6779.99387s) stopped
T12 >> 1462358770.84101510 Blacs Orbital Layouts (48060.55382s) started
T12 >> 1462358770.84950900 General diagonalize (47871.51499s) started
T12 << 1462358828.55100298 General diagonalize (47929.21648s) stopped
T12 >> 1462358828.55104899 Redistribute coefs (7.36952s) started
T12 << 1462358828.56028605 Redistribute coefs (7.37876s) stopped
T12 >> 1462358828.56032896 Send coefs to domains (173.63246s) started
T12 << 1462358828.67250800 Send coefs to domains (173.74464s) stopped
T12 << 1462358828.67296100 Blacs Orbital Layouts (48118.38576s) stopped
T12 >> 1462358828.67301893 Calculate projections (1556.24423s) started
T12 << 1462358830.40294909 Calculate projections (1557.97416s) stopped
T12 << 1462358830.40330696 LCAO eigensolver (57686.63538s) stopped
T12 >> 1462358833.55134392 Density (13487.09429s) started
T12 >> 1462358833.55135989 Pseudo density (10380.10372s) started
T12 >> 1462358833.55445409 Calculate density matrix (9742.94353s) started
T12 << 1462358845.88138008 Calculate density matrix (9755.27046s) stopped
T12 >> 1462358845.88142991 Construct density (620.69859s) started
T12 << 1462358846.69576502 Construct density (621.51293s) stopped
T12 >> 1462358846.71310496 Symmetrize density (0.06984s) started
T12 << 1462358846.71316910 Symmetrize density (0.06990s) stopped
T12 << 1462358846.71558189 Pseudo density (10393.26794s) stopped
T12 >> 1462358846.71563911 Atomic density matrices (2747.08084s) started
T12 << 1462358850.26228595 Atomic density matrices (2750.62748s) stopped
T12 >> 1462358850.26232004 Multipole moments (10.58019s) started
T12 << 1462358850.27890706 Multipole moments (10.59678s) stopped
T12 >> 1462358850.27893710 Normalize (5.52898s) started
T12 << 1462358850.28655696 Normalize (5.53660s) stopped
T12 >> 1462358850.28660703 Mix (343.73505s) started
T12 << 1462358850.76935506 Mix (344.21780s) stopped
T12 << 1462358850.76942301 Density (13504.31237s) stopped
T12 >> 1462358850.76945210 Hamiltonian (41198.82583s) started
T12 >> 1462358850.76946712 vbar (21.75398s) started
T12 << 1462358850.78988290 vbar (21.77440s) stopped
T12 >> 1462358850.78996992 XC 3D grid (23076.72830s) started
T12 >> 1462358851.29743695 van der Waals (22286.00604s) started
T12 >> 1462358851.40881300 semilocal (4711.27445s) started
T12 << 1462358857.26008391 semilocal (4717.12572s) stopped
T12 >> 1462358857.33926511 redistribute (2393.22805s) started
T12 << 1462358858.28692102 redistribute (2394.17571s) stopped
T12 >> 1462358858.28699303 libvdwxc nonlocal (15026.02778s) started
T12 << 1462358876.61737704 libvdwxc nonlocal (15044.35816s) stopped
T12 >> 1462358876.61741900 redistribute (2394.17576s) started
T12 << 1462358878.31691408 redistribute (2395.87526s) stopped
T12 << 1462358878.31797194 van der Waals (22313.02658s) stopped
T12 << 1462358878.77097797 XC 3D grid (23104.70931s) stopped
T12 >> 1462358878.77102304 Poisson (4739.26380s) started
T12 << 1462358883.11257005 Poisson (4743.60534s) stopped
T12 >> 1462358883.11268497 Hartree integrate/restrict (304.35650s) started
T12 << 1462358883.16370797 Hartree integrate/restrict (304.40753s) stopped
T12 >> 1462358883.16381001 Hartree integrate/restrict (304.40760s) started
T12 << 1462358883.47907090 Hartree integrate/restrict (304.72286s) stopped
T12 >> 1462358883.47915196 Atomic (1950.04686s) started
T12 >> 1462358883.48086405 XC Correction (0.02683s) started
T12 << 1462358883.48087907 XC Correction (0.02684s) stopped
T12 << 1462358885.80690789 Atomic (1952.37461s) stopped
T12 >> 1462358885.80706191 Communicate (11106.36060s) started
T12 << 1462358903.70736504 Communicate (11124.26090s) stopped
T12 << 1462358903.70740294 Hamiltonian (41251.76378s) stopped
T12 >> 1462358903.70742893 LCAO eigensolver (57686.63539s) started
T12 >> 1462358903.70744205 Potential matrix (857.95365s) started
T12 << 1462358904.69274592 Potential matrix (858.93895s) stopped
T12 >> 1462358904.69283390 DistributedAtomicCorrection (367.99206s) started
T12 << 1462358905.13757300 DistributedAtomicCorrection (368.43680s) stopped
T12 >> 1462358905.13763809 Distribute overlap matrix (6779.99388s) started
T12 >> 1462358905.13766003 blocked summation (3791.78273s) started
T12 << 1462358909.94907999 blocked summation (3796.59415s) stopped
T12 >> 1462358909.95913410 Scalapack redistribute (2979.58772s) started
T12 << 1462358913.70080900 Scalapack redistribute (2983.32939s) stopped
T12 << 1462358913.70092010 Distribute overlap matrix (6788.55716s) stopped
T12 >> 1462358913.70547295 Blacs Orbital Layouts (48118.38579s) started
T12 >> 1462358913.71443510 General diagonalize (47929.21652s) started
T12 << 1462358970.53097010 General diagonalize (47986.03306s) stopped
T12 >> 1462358970.53101492 Redistribute coefs (7.37879s) started
T12 << 1462358970.54061699 Redistribute coefs (7.38840s) stopped
T12 >> 1462358970.54065990 Send coefs to domains (173.74467s) started
T12 << 1462358970.83243704 Send coefs to domains (174.03645s) stopped
T12 << 1462358970.83285189 Blacs Orbital Layouts (48175.51316s) stopped
T12 >> 1462358970.83291101 Calculate projections (1557.97421s) started
T12 << 1462358972.56376195 Calculate projections (1559.70506s) stopped
T12 << 1462358972.56412005 LCAO eigensolver (57755.49208s) stopped
T12 >> 1462358975.73568296 Density (13504.31239s) started
T12 >> 1462358975.73569798 Pseudo density (10393.26799s) started
T12 >> 1462358975.73890996 Calculate density matrix (9755.27049s) started
T12 << 1462358987.66738605 Calculate density matrix (9767.19897s) stopped
T12 >> 1462358987.66743302 Construct density (621.51298s) started
T12 << 1462358988.48579192 Construct density (622.33134s) stopped
T12 >> 1462358988.50215793 Symmetrize density (0.06992s) started
T12 << 1462358988.50222611 Symmetrize density (0.06998s) stopped
T12 << 1462358988.50466609 Pseudo density (10406.03695s) stopped
T12 >> 1462358988.50472498 Atomic density matrices (2750.62751s) started
T12 << 1462358992.12049508 Atomic density matrices (2754.24328s) stopped
T12 >> 1462358992.12052798 Multipole moments (10.59680s) started
T12 << 1462358992.13710403 Multipole moments (10.61337s) stopped
T12 >> 1462358992.13713503 Normalize (5.53663s) started
T12 << 1462358992.14632010 Normalize (5.54582s) stopped
T12 >> 1462358992.14635801 Mix (344.21787s) started
T12 << 1462358992.63469791 Mix (344.70621s) stopped
T12 << 1462358992.63474011 Density (13521.21144s) stopped
T12 >> 1462358992.63476491 Hamiltonian (41251.76380s) started
T12 >> 1462358992.63477993 vbar (21.77445s) started
T12 << 1462358992.66887689 vbar (21.80855s) stopped
T12 >> 1462358992.66902399 XC 3D grid (23104.70935s) started
T12 >> 1462358993.15739012 van der Waals (22313.02660s) started
T12 >> 1462358993.27212095 semilocal (4717.12582s) started
T12 << 1462358999.07916403 semilocal (4722.93287s) stopped
T12 >> 1462358999.15255690 redistribute (2395.87531s) started
T12 << 1462359000.12818599 redistribute (2396.85094s) stopped
T12 >> 1462359000.12822795 libvdwxc nonlocal (15044.35819s) started
T12 << 1462359019.05710602 libvdwxc nonlocal (15063.28707s) stopped
T12 >> 1462359019.05717206 redistribute (2396.85098s) started
T12 << 1462359020.75986195 redistribute (2398.55367s) stopped
T12 << 1462359020.76086402 van der Waals (22340.63007s) stopped
T12 << 1462359021.21886396 XC 3D grid (23133.25919s) stopped
T12 >> 1462359021.21893406 Poisson (4743.60543s) started
T12 << 1462359024.26739311 Poisson (4746.65389s) stopped
T12 >> 1462359024.26749706 Hartree integrate/restrict (304.72289s) started
T12 << 1462359024.32218194 Hartree integrate/restrict (304.77758s) stopped
T12 >> 1462359024.32228494 Hartree integrate/restrict (304.77765s) started
T12 << 1462359024.63690591 Hartree integrate/restrict (305.09227s) stopped
T12 >> 1462359024.63697505 Atomic (1952.37463s) started
T12 >> 1462359024.63871193 XC Correction (0.02685s) started
T12 << 1462359024.63872910 XC Correction (0.02687s) stopped
T12 << 1462359026.96441793 Atomic (1954.70208s) stopped
T12 >> 1462359026.96456289 Communicate (11124.26092s) started
T12 << 1462359044.91564202 Communicate (11142.21200s) stopped
T12 << 1462359044.91567802 Hamiltonian (41304.04471s) stopped
T12 >> 1462359044.91570401 LCAO eigensolver (57755.49210s) started
T12 >> 1462359044.91571689 Potential matrix (858.93900s) started
T12 << 1462359045.89986706 Potential matrix (859.92315s) stopped
T12 >> 1462359045.89995408 DistributedAtomicCorrection (368.43684s) started
T12 << 1462359046.34888601 DistributedAtomicCorrection (368.88577s) stopped
T12 >> 1462359046.34895110 Distribute overlap matrix (6788.55717s) started
T12 >> 1462359046.34897399 blocked summation (3796.59418s) started
T12 << 1462359051.22864604 blocked summation (3801.47386s) stopped
T12 >> 1462359051.23907709 Scalapack redistribute (2983.32946s) started
T12 << 1462359054.90829897 Scalapack redistribute (2986.99868s) stopped
T12 << 1462359054.90837002 Distribute overlap matrix (6797.11659s) stopped
T12 >> 1462359054.91295099 Blacs Orbital Layouts (48175.51318s) started
T12 >> 1462359054.92161798 General diagonalize (47986.03310s) started
T12 << 1462359109.59344101 General diagonalize (48040.70492s) stopped
T12 >> 1462359109.59348989 Redistribute coefs (7.38843s) started
T12 << 1462359109.60310602 Redistribute coefs (7.39804s) stopped
T12 >> 1462359109.60314798 Send coefs to domains (174.03648s) started
T12 << 1462359109.85856390 Send coefs to domains (174.29190s) stopped
T12 << 1462359109.85905099 Blacs Orbital Layouts (48230.45928s) stopped
T12 >> 1462359109.85908508 Calculate projections (1559.70511s) started
T12 << 1462359111.58922601 Calculate projections (1561.43525s) stopped
T12 << 1462359111.58957601 LCAO eigensolver (57822.16598s) stopped
T12 << 1462359114.76133204 SCF-cycle (115448.01756s) stopped
T12 >> 1462359116.88581300 Force calculation (5558.17866s) started
T12 >> 1462359116.88589096 LCAO forces (5498.17898s) started
T12 >> 1462359116.88625097 Initial (0.00158s) started
T12 << 1462359116.88626194 Initial (0.00159s) stopped
T12 >> 1462359116.89314008 Get density matrix (2850.61144s) started
T12 << 1462359126.04759502 Get density matrix (2859.76589s) stopped
T12 >> 1462359126.04763603 Potential (431.91181s) started
T12 << 1462359132.31765294 Potential (438.18183s) stopped
T12 >> 1462359132.31770992 Get density matrix (2859.76593s) started
T12 << 1462359164.39376998 Get density matrix (2891.84199s) stopped
T12 >> 1462359164.39383101 Prepare TCI loop (154.57561s) started
T12 >> 1462359164.39434290 Get neighbors (137.12349s) started
T12 << 1462359166.39635706 Get neighbors (139.12551s) stopped
T12 >> 1462359166.39707994 broadcast dH (17.36803s) started
T12 << 1462359166.73352003 broadcast dH (17.70447s) stopped
T12 << 1462359166.73356104 Prepare TCI loop (156.91534s) stopped
T12 >> 1462359166.73358011 Not so complicated loop (8.38424s) started
T12 << 1462359166.85376310 Not so complicated loop (8.50442s) stopped
T12 >> 1462359166.97407794 Complicated loop (1332.97568s) started
T12 << 1462359186.77923989 Complicated loop (1352.78084s) stopped
T12 >> 1462359186.78032804 Wait for sum (710.60636s) started
T12 << 1462359198.63908291 Wait for sum (722.46511s) stopped
T12 << 1462359198.63911796 LCAO forces (5579.93220s) stopped
T12 << 1462359199.49321699 Force calculation (5640.78606s) stopped
T12 >> 1462359199.51111698 Initialization (9333.71937s) started
T12 << 1462359199.51128602 Initialization (9333.71954s) stopped
T12 >> 1462359199.51150894 Initialization (9333.71956s) started
T12 << 1462359199.51164603 Initialization (9333.71969s) stopped
T12 >> 1462359199.51178503 Initialization (9333.71971s) started
T12 << 1462359199.51192188 Initialization (9333.71984s) stopped
T12 >> 1462359219.79046297 Initialization (9333.71986s) started
T12 >> 1462359219.91616607 Basic WFS set positions (6.31743s) started
T12 >> 1462359219.91618991 Redistribute (0.02042s) started
T12 << 1462359219.91631889 Redistribute (0.02055s) stopped
T12 << 1462359220.00739503 Basic WFS set positions (6.40866s) stopped
T12 >> 1462359220.00742412 Basis functions set positions (133.57538s) started
T12 << 1462359222.00612307 Basis functions set positions (135.57408s) stopped
T12 >> 1462359222.00654101 TCI: Calculate S, T, P (1099.50738s) started
T12 << 1462359237.64853501 TCI: Calculate S, T, P (1115.14937s) stopped
T12 >> 1462359237.64858699 blocked summation (1879.88753s) started
T12 << 1462359270.92758298 blocked summation (1913.16653s) stopped
T12 >> 1462359270.93741393 Scalapack redistribute (665.51995s) started
T12 << 1462359282.10956001 Scalapack redistribute (676.69210s) stopped
T12 >> 1462359282.11064196 blocked summation (1913.16656s) started
T12 << 1462359283.13499403 blocked summation (1914.19091s) stopped
T12 >> 1462359283.14386606 Scalapack redistribute (676.69213s) started
T12 << 1462359283.37833810 Scalapack redistribute (676.92661s) stopped
T12 >> 1462359283.38067508 Redistribute (0.13036s) started
T12 << 1462359283.38118696 Redistribute (0.13087s) stopped
T12 >> 1462359285.18357897 Redistribute (0.13089s) started
T12 << 1462359285.18402791 Redistribute (0.13134s) stopped
T12 >> 1462359285.19834995 LCAO WFS Initialize (5409.58617s) started
T12 >> 1462359285.19838691 Density initialize from wavefunctions (1020.97342s) started
T12 >> 1462359285.20380712 Calculate density matrix (702.91640s) started
T12 << 1462359295.03283095 Calculate density matrix (712.74542s) stopped
T12 >> 1462359295.03288007 Construct density (54.09385s) started
T12 << 1462359295.81591201 Construct density (54.87688s) stopped
T12 >> 1462359295.83086109 Symmetrize density (0.00591s) started
T12 << 1462359295.83092594 Symmetrize density (0.00597s) stopped
T12 << 1462359299.71498990 Density initialize from wavefunctions (1035.49002s) stopped
T12 >> 1462359299.71525192 Hamiltonian (4387.67616s) started
T12 >> 1462359299.71527100 vbar (1.99098s) started
T12 << 1462359299.74104810 vbar (2.01676s) stopped
T12 >> 1462359299.74120498 XC 3D grid (2046.66140s) started
T12 >> 1462359300.22871208 van der Waals (1976.92656s) started
T12 >> 1462359300.33791709 semilocal (416.94749s) started
T12 << 1462359306.04043698 semilocal (422.65001s) stopped
T12 >> 1462359306.12821507 redistribute (221.72448s) started
T12 << 1462359307.19898295 redistribute (222.79524s) stopped
T12 >> 1462359307.19903207 libvdwxc nonlocal (1324.46836s) started
T12 << 1462359326.08896494 libvdwxc nonlocal (1343.35830s) stopped
T12 >> 1462359326.08902693 redistribute (222.79528s) started
T12 << 1462359327.89349890 redistribute (224.59975s) stopped
T12 << 1462359327.89466310 van der Waals (2004.59251s) stopped
T12 << 1462359328.35048389 XC 3D grid (2075.27068s) stopped
T12 >> 1462359328.35054588 Poisson (1011.11090s) started
T12 << 1462359342.86066294 Poisson (1025.62102s) stopped
T12 >> 1462359342.86076093 Hartree integrate/restrict (26.94301s) started
T12 << 1462359342.91143894 Hartree integrate/restrict (26.99369s) stopped
T12 >> 1462359342.91153312 Hartree integrate/restrict (26.99375s) started
T12 << 1462359343.24217391 Hartree integrate/restrict (27.32439s) stopped
T12 >> 1462359343.24226999 Atomic (170.72715s) started
T12 >> 1462359343.24438500 XC Correction (0.00257s) started
T12 << 1462359343.24441195 XC Correction (0.00259s) stopped
T12 << 1462359345.55793500 Atomic (173.04281s) stopped
T12 >> 1462359345.55809808 Communicate (1130.18867s) started
T12 << 1462359364.98217201 Communicate (1149.61274s) stopped
T12 << 1462359364.98220706 Hamiltonian (4452.94312s) stopped
T12 << 1462359364.98222089 LCAO WFS Initialize (5489.37004s) stopped
T12 << 1462359364.99433494 Initialization (9478.92374s) stopped
T12 >> 1462359365.02041888 SCF-cycle (115448.01758s) started
T12 >> 1462359365.02045488 LCAO eigensolver (57822.16599s) started
T12 >> 1462359365.02046704 Potential matrix (859.92320s) started
T12 << 1462359365.98873496 Potential matrix (860.89147s) stopped
T12 >> 1462359365.98881102 DistributedAtomicCorrection (368.88581s) started
T12 << 1462359366.42709994 DistributedAtomicCorrection (369.32410s) stopped
T12 >> 1462359366.42714310 Distribute overlap matrix (6797.11660s) started
T12 >> 1462359366.42717099 blocked summation (3801.47389s) started
T12 << 1462359371.27986789 blocked summation (3806.32658s) stopped
T12 >> 1462359371.28954101 Scalapack redistribute (2986.99872s) started
T12 << 1462359375.08351707 Scalapack redistribute (2990.79269s) stopped
T12 << 1462359375.08362293 Distribute overlap matrix (6805.77308s) stopped
T12 >> 1462359375.08748007 Blacs Orbital Layouts (48230.45930s) started
T12 >> 1462359375.09611702 General diagonalize (48040.70496s) started
T12 << 1462359431.31658697 General diagonalize (48096.92543s) stopped
T12 >> 1462359431.31663609 Redistribute coefs (7.39808s) started
T12 << 1462359431.32453489 Redistribute coefs (7.40597s) stopped
T12 >> 1462359431.32460499 Send coefs to domains (174.29193s) started
T12 << 1462359431.48171306 Send coefs to domains (174.44904s) stopped
T12 << 1462359431.48218012 Blacs Orbital Layouts (48286.85400s) stopped
T12 >> 1462359431.48220801 Calculate projections (1561.43530s) started
T12 << 1462359433.20803690 Calculate projections (1563.16113s) stopped
T12 << 1462359433.20842505 LCAO eigensolver (57890.35396s) stopped
T12 >> 1462359436.36735892 Density (13521.21146s) started
T12 >> 1462359436.36737394 Pseudo density (10406.03700s) started
T12 >> 1462359436.36985493 Calculate density matrix (9767.19900s) started
T12 << 1462359449.00814605 Calculate density matrix (9779.83729s) stopped
T12 >> 1462359449.00819492 Construct density (622.33139s) started
T12 << 1462359449.79419494 Construct density (623.11739s) stopped
T12 >> 1462359449.80915308 Symmetrize density (0.07000s) started
T12 << 1462359449.80921888 Symmetrize density (0.07007s) stopped
T12 << 1462359449.81116605 Pseudo density (10419.48079s) stopped
T12 >> 1462359449.81122708 Atomic density matrices (2754.24330s) started
T12 << 1462359453.33152199 Atomic density matrices (2757.76360s) stopped
T12 >> 1462359453.33155394 Multipole moments (10.61339s) started
T12 << 1462359453.34714890 Multipole moments (10.62899s) stopped
T12 >> 1462359453.34717393 Normalize (5.54585s) started
T12 << 1462359453.35365009 Normalize (5.55232s) stopped
T12 >> 1462359453.35375309 Mix (344.70625s) started
T12 << 1462359453.72601104 Mix (345.07851s) stopped
T12 << 1462359453.72608209 Density (13538.57018s) stopped
T12 >> 1462359453.72611189 Hamiltonian (41304.04472s) started
T12 >> 1462359453.72612691 vbar (21.80864s) started
T12 << 1462359453.75275207 vbar (21.83526s) stopped
T12 >> 1462359453.75288606 XC 3D grid (23133.25924s) started
T12 >> 1462359454.27120399 van der Waals (22340.63010s) started
T12 >> 1462359454.37888503 semilocal (4722.93294s) started
T12 << 1462359460.18118191 semilocal (4728.73524s) stopped
T12 >> 1462359460.26343989 redistribute (2398.55370s) started
T12 << 1462359461.24936509 redistribute (2399.53963s) stopped
T12 >> 1462359461.24940610 libvdwxc nonlocal (15063.28712s) started
T12 << 1462359480.07246304 libvdwxc nonlocal (15082.11018s) stopped
T12 >> 1462359480.07252598 redistribute (2399.53966s) started
T12 << 1462359481.94692898 redistribute (2401.41406s) stopped
T12 << 1462359481.94812894 van der Waals (22368.30703s) stopped
T12 << 1462359482.40860009 XC 3D grid (23161.91496s) stopped
T12 >> 1462359482.40864110 Poisson (4746.65397s) started
T12 << 1462359488.41968799 Poisson (4752.66502s) stopped
T12 >> 1462359488.41975307 Hartree integrate/restrict (305.09230s) started
T12 << 1462359488.46600509 Hartree integrate/restrict (305.13855s) stopped
T12 >> 1462359488.46610904 Hartree integrate/restrict (305.13862s) started
T12 << 1462359488.80363488 Hartree integrate/restrict (305.47615s) stopped
T12 >> 1462359488.80370593 Atomic (1954.70210s) started
T12 >> 1462359488.80552197 XC Correction (0.02688s) started
T12 << 1462359488.80553699 XC Correction (0.02689s) stopped
T12 << 1462359491.11606598 Atomic (1957.01446s) stopped
T12 >> 1462359491.11623693 Communicate (11142.21203s) started
T12 << 1462359510.57144403 Communicate (11161.66723s) stopped
T12 << 1462359510.57148004 Hamiltonian (41360.89009s) stopped
T12 >> 1462359510.57150602 LCAO eigensolver (57890.35398s) started
T12 >> 1462359510.57151794 Potential matrix (860.89152s) started
T12 << 1462359511.55881906 Potential matrix (861.87882s) stopped
T12 >> 1462359511.55889010 DistributedAtomicCorrection (369.32413s) started
T12 << 1462359512.00128794 DistributedAtomicCorrection (369.76653s) stopped
T12 >> 1462359512.00133491 Distribute overlap matrix (6805.77310s) started
T12 >> 1462359512.00136304 blocked summation (3806.32661s) started
T12 << 1462359516.80954599 blocked summation (3811.13480s) stopped
T12 >> 1462359516.81938601 Scalapack redistribute (2990.79275s) started
T12 << 1462359520.62922311 Scalapack redistribute (2994.60259s) stopped
T12 << 1462359520.62930393 Distribute overlap matrix (6814.40107s) stopped
T12 >> 1462359520.63337588 Blacs Orbital Layouts (48286.85402s) started
T12 >> 1462359520.64232707 General diagonalize (48096.92547s) started
T12 << 1462359574.87658095 General diagonalize (48151.15972s) stopped
T12 >> 1462359574.87662601 Redistribute coefs (7.40603s) started
T12 << 1462359574.88522291 Redistribute coefs (7.41463s) stopped
T12 >> 1462359574.88529110 Send coefs to domains (174.44908s) started
T12 << 1462359574.99535489 Send coefs to domains (174.55914s) stopped
T12 << 1462359574.99579096 Blacs Orbital Layouts (48341.21644s) stopped
T12 >> 1462359574.99582410 Calculate projections (1563.16118s) started
T12 << 1462359576.72228003 Calculate projections (1564.88763s) stopped
T12 << 1462359576.72266603 LCAO eigensolver (57956.50514s) stopped
T12 >> 1462359579.89204788 Density (13538.57019s) started
T12 >> 1462359579.89206290 Pseudo density (10419.48084s) started
T12 >> 1462359579.89482307 Calculate density matrix (9779.83732s) started
T12 << 1462359591.73618603 Calculate density matrix (9791.67869s) stopped
T12 >> 1462359591.73623395 Construct density (623.11744s) started
T12 << 1462359592.52256298 Construct density (623.90377s) stopped
T12 >> 1462359592.53829789 Symmetrize density (0.07008s) started
T12 << 1462359592.53836393 Symmetrize density (0.07015s) stopped
T12 << 1462359592.54034901 Pseudo density (10432.12913s) stopped
T12 >> 1462359592.54041004 Atomic density matrices (2757.76362s) started
T12 << 1462359596.10694909 Atomic density matrices (2761.33016s) stopped
T12 >> 1462359596.10698104 Multipole moments (10.62900s) started
T12 << 1462359596.12277293 Multipole moments (10.64479s) stopped
T12 >> 1462359596.12280798 Normalize (5.55240s) started
T12 << 1462359596.12888789 Normalize (5.55848s) stopped
T12 >> 1462359596.12899709 Mix (345.07857s) started
T12 << 1462359596.48143005 Mix (345.43101s) stopped
T12 << 1462359596.48150492 Density (13555.15965s) stopped
T12 >> 1462359596.48154092 Hamiltonian (41360.89011s) started
T12 >> 1462359596.48155904 vbar (21.83533s) started
T12 << 1462359596.51619196 vbar (21.86997s) stopped
T12 >> 1462359596.51631498 XC 3D grid (23161.91499s) started
T12 >> 1462359597.05362296 van der Waals (22368.30705s) started
T12 >> 1462359597.16279697 semilocal (4728.73534s) started
T12 << 1462359602.86812210 semilocal (4734.44067s) stopped
T12 >> 1462359602.95403504 redistribute (2401.41412s) started
T12 << 1462359604.06101704 redistribute (2402.52110s) stopped
T12 >> 1462359604.06106091 libvdwxc nonlocal (15082.11023s) started
T12 << 1462359622.46698809 libvdwxc nonlocal (15100.51615s) stopped
T12 >> 1462359622.46705103 redistribute (2402.52114s) started
T12 << 1462359624.17633796 redistribute (2404.23042s) stopped
T12 << 1462359624.17793703 van der Waals (22395.43137s) stopped
T12 << 1462359624.62247610 XC 3D grid (23190.02115s) stopped
T12 >> 1462359624.62251806 Poisson (4752.66507s) started
T12 << 1462359634.67050195 Poisson (4762.71305s) stopped
T12 >> 1462359634.67058206 Hartree integrate/restrict (305.47618s) started
T12 << 1462359634.71938610 Hartree integrate/restrict (305.52499s) stopped
T12 >> 1462359634.71948791 Hartree integrate/restrict (305.52506s) started
T12 << 1462359635.06202888 Hartree integrate/restrict (305.86760s) stopped
T12 >> 1462359635.06226301 Atomic (1957.01448s) started
T12 >> 1462359635.06488299 XC Correction (0.02691s) started
T12 << 1462359635.06492901 XC Correction (0.02695s) stopped
T12 << 1462359637.37034512 Atomic (1959.32257s) stopped
T12 >> 1462359637.37051105 Communicate (11161.66726s) started
T12 << 1462359656.81623292 Communicate (11181.11298s) stopped
T12 << 1462359656.81629610 Hamiltonian (41421.22486s) stopped
T12 >> 1462359656.81632209 LCAO eigensolver (57956.50516s) started
T12 >> 1462359656.81633496 Potential matrix (861.87886s) started
T12 << 1462359657.78096890 Potential matrix (862.84349s) stopped
T12 >> 1462359657.78103995 DistributedAtomicCorrection (369.76657s) started
T12 << 1462359658.22371697 DistributedAtomicCorrection (370.20925s) stopped
T12 >> 1462359658.22376394 Distribute overlap matrix (6814.40108s) started
T12 >> 1462359658.22379494 blocked summation (3811.13483s) started
T12 << 1462359663.06657910 blocked summation (3815.97761s) stopped
T12 >> 1462359663.07640696 Scalapack redistribute (2994.60265s) started
T12 << 1462359666.91295290 Scalapack redistribute (2998.43919s) stopped
T12 << 1462359666.91303301 Distribute overlap matrix (6823.09035s) stopped
T12 >> 1462359666.91730094 Blacs Orbital Layouts (48341.21646s) started
T12 >> 1462359666.92611790 General diagonalize (48151.15976s) started
T12 << 1462359722.93170094 General diagonalize (48207.16534s) stopped
T12 >> 1462359722.93174601 Redistribute coefs (7.41468s) started
T12 << 1462359722.93984699 Redistribute coefs (7.42278s) stopped
T12 >> 1462359722.93991089 Send coefs to domains (174.55917s) started
T12 << 1462359723.16829491 Send coefs to domains (174.78756s) stopped
T12 << 1462359723.16872501 Blacs Orbital Layouts (48397.46789s) stopped
T12 >> 1462359723.16875291 Calculate projections (1564.88769s) started
T12 << 1462359724.89478397 Calculate projections (1566.61372s) stopped
T12 << 1462359724.89513993 LCAO eigensolver (58024.58398s) stopped
T12 >> 1462359728.04708505 Density (13555.15967s) started
T12 >> 1462359728.04710102 Pseudo density (10432.12918s) started
T12 >> 1462359728.04938507 Calculate density matrix (9791.67872s) started
T12 << 1462359739.91998911 Calculate density matrix (9803.54933s) stopped
T12 >> 1462359739.92003703 Construct density (623.90383s) started
T12 << 1462359740.70523310 Construct density (624.68902s) stopped
T12 >> 1462359740.72022009 Symmetrize density (0.07016s) started
T12 << 1462359740.72028589 Symmetrize density (0.07023s) stopped
T12 << 1462359740.72229695 Pseudo density (10444.80437s) stopped
T12 >> 1462359740.72235703 Atomic density matrices (2761.33019s) started
T12 << 1462359744.35177207 Atomic density matrices (2764.95960s) stopped
T12 >> 1462359744.35180712 Multipole moments (10.64481s) started
T12 << 1462359744.36816692 Multipole moments (10.66117s) stopped
T12 >> 1462359744.36820006 Normalize (5.55858s) started
T12 << 1462359744.37432694 Normalize (5.56470s) stopped
T12 >> 1462359744.37441397 Mix (345.43108s) started
T12 << 1462359744.78264594 Mix (345.83931s) stopped
T12 << 1462359744.78272700 Density (13571.89531s) stopped
T12 >> 1462359744.78275704 Hamiltonian (41421.22487s) started
T12 >> 1462359744.78277302 vbar (21.87004s) started
T12 << 1462359744.80831289 vbar (21.89558s) stopped
T12 >> 1462359744.80840802 XC 3D grid (23190.02118s) started
T12 >> 1462359745.30685592 van der Waals (22395.43140s) started
T12 >> 1462359745.41475105 semilocal (4734.44077s) started
T12 << 1462359751.15727711 semilocal (4740.18329s) stopped
T12 >> 1462359751.24116397 redistribute (2404.23047s) started
T12 << 1462359752.28394699 redistribute (2405.27325s) stopped
T12 >> 1462359752.28398895 libvdwxc nonlocal (15100.51620s) started
T12 << 1462359770.79239988 libvdwxc nonlocal (15119.02461s) stopped
T12 >> 1462359770.79246497 redistribute (2405.27328s) started
T12 << 1462359772.51926589 redistribute (2407.00008s) stopped
T12 << 1462359772.52010489 van der Waals (22422.64465s) stopped
T12 << 1462359773.01405692 XC 3D grid (23218.22683s) stopped
T12 >> 1462359773.01409888 Poisson (4762.71311s) started
T12 << 1462359783.53611898 Poisson (4773.23513s) stopped
T12 >> 1462359783.53617501 Hartree integrate/restrict (305.86772s) started
T12 << 1462359783.60146403 Hartree integrate/restrict (305.93301s) stopped
T12 >> 1462359783.60151792 Hartree integrate/restrict (305.93304s) started
T12 << 1462359783.92305899 Hartree integrate/restrict (306.25458s) stopped
T12 >> 1462359783.92315102 Atomic (1959.32259s) started
T12 >> 1462359783.92494106 XC Correction (0.02697s) started
T12 << 1462359783.92495990 XC Correction (0.02699s) stopped
T12 << 1462359786.25046206 Atomic (1961.64990s) stopped
T12 >> 1462359786.25063801 Communicate (11181.11300s) started
T12 << 1462359805.70386696 Communicate (11200.56623s) stopped
T12 << 1462359805.70390511 Hamiltonian (41482.14602s) stopped
T12 >> 1462359805.70392990 LCAO eigensolver (58024.58400s) started
T12 >> 1462359805.70394301 Potential matrix (862.84354s) started
T12 << 1462359806.68138909 Potential matrix (863.82098s) stopped
T12 >> 1462359806.68145990 DistributedAtomicCorrection (370.20929s) started
T12 << 1462359807.12995505 DistributedAtomicCorrection (370.65778s) stopped
T12 >> 1462359807.13000202 Distribute overlap matrix (6823.09036s) started
T12 >> 1462359807.13003206 blocked summation (3815.97764s) started
T12 << 1462359811.91560602 blocked summation (3820.76322s) stopped
T12 >> 1462359811.92511392 Scalapack redistribute (2998.43923s) started
T12 << 1462359815.84248090 Scalapack redistribute (3002.35660s) stopped
T12 << 1462359815.84256911 Distribute overlap matrix (6831.80293s) stopped
T12 >> 1462359815.84673500 Blacs Orbital Layouts (48397.46791s) started
T12 >> 1462359815.85563302 General diagonalize (48207.16538s) started
T12 << 1462359871.04618812 General diagonalize (48262.35593s) stopped
T12 >> 1462359871.04624295 Redistribute coefs (7.42283s) started
T12 << 1462359871.05537391 Redistribute coefs (7.43196s) stopped
T12 >> 1462359871.05542207 Send coefs to domains (174.78759s) started
T12 << 1462359871.18919492 Send coefs to domains (174.92136s) stopped
T12 << 1462359871.18972301 Blacs Orbital Layouts (48452.81089s) stopped
T12 >> 1462359871.18975306 Calculate projections (1566.61377s) started
T12 << 1462359872.93032503 Calculate projections (1568.35434s) stopped
T12 << 1462359872.93077111 LCAO eigensolver (58091.81084s) stopped
T12 >> 1462359876.09767795 Density (13571.89532s) started
T12 >> 1462359876.09769511 Pseudo density (10444.80442s) started
T12 >> 1462359876.10076404 Calculate density matrix (9803.54936s) started
T12 << 1462359888.17630506 Calculate density matrix (9815.62490s) stopped
T12 >> 1462359888.17636108 Construct density (624.68907s) started
T12 << 1462359888.95964193 Construct density (625.47235s) stopped
T12 >> 1462359888.97702503 Symmetrize density (0.07025s) started
T12 << 1462359888.97709894 Symmetrize density (0.07032s) stopped
T12 << 1462359888.97956800 Pseudo density (10457.68630s) stopped
T12 >> 1462359888.97963810 Atomic density matrices (2764.95963s) started
T12 << 1462359892.56121898 Atomic density matrices (2768.54121s) stopped
T12 >> 1462359892.56125593 Multipole moments (10.66119s) started
T12 << 1462359892.57754588 Multipole moments (10.67748s) stopped
T12 >> 1462359892.57757998 Normalize (5.56477s) started
T12 << 1462359892.58539104 Normalize (5.57258s) stopped
T12 >> 1462359892.58544207 Mix (345.83939s) started
T12 << 1462359893.01235104 Mix (346.26630s) stopped
T12 << 1462359893.01241112 Density (13588.81006s) stopped
T12 >> 1462359893.01243901 Hamiltonian (41482.14604s) started
T12 >> 1462359893.01245308 vbar (21.89563s) started
T12 << 1462359893.03869510 vbar (21.92187s) stopped
T12 >> 1462359893.03880000 XC 3D grid (23218.22686s) started
T12 >> 1462359893.56027102 van der Waals (22422.64468s) started
T12 >> 1462359893.67084098 semilocal (4740.18339s) started
T12 << 1462359899.41680908 semilocal (4745.92936s) stopped
T12 >> 1462359899.49296999 redistribute (2407.00014s) started
T12 << 1462359900.52819300 redistribute (2408.03536s) stopped
T12 >> 1462359900.52825689 libvdwxc nonlocal (15119.02466s) started
T12 << 1462359918.83806705 libvdwxc nonlocal (15137.33447s) stopped
T12 >> 1462359918.83815408 redistribute (2408.03540s) started
T12 << 1462359920.91698408 redistribute (2410.11423s) stopped
T12 << 1462359920.91792107 van der Waals (22450.00233s) stopped
T12 << 1462359921.38064289 XC 3D grid (23246.56871s) stopped
T12 >> 1462359921.38069296 Poisson (4773.23517s) started
T12 << 1462359931.45746899 Poisson (4783.31195s) stopped
T12 >> 1462359931.45765305 Hartree integrate/restrict (306.25463s) started
T12 << 1462359931.50305295 Hartree integrate/restrict (306.30003s) stopped
T12 >> 1462359931.50311089 Hartree integrate/restrict (306.30007s) started
T12 << 1462359931.81651592 Hartree integrate/restrict (306.61347s) stopped
T12 >> 1462359931.81660509 Atomic (1961.64993s) started
T12 >> 1462359931.81834197 XC Correction (0.02700s) started
T12 << 1462359931.81835604 XC Correction (0.02701s) stopped
T12 << 1462359934.17022204 Atomic (1964.00355s) stopped
T12 >> 1462359934.17038488 Communicate (11200.56625s) started
T12 << 1462359953.16350389 Communicate (11219.55937s) stopped
T12 << 1462359953.16354108 Hamiltonian (41542.29714s) stopped
T12 >> 1462359953.16356611 LCAO eigensolver (58091.81086s) started
T12 >> 1462359953.16357899 Potential matrix (863.82103s) started
T12 << 1462359954.14865494 Potential matrix (864.80610s) stopped
T12 >> 1462359954.14872909 DistributedAtomicCorrection (370.65782s) started
T12 << 1462359954.59978795 DistributedAtomicCorrection (371.10888s) stopped
T12 >> 1462359954.59985495 Distribute overlap matrix (6831.80296s) started
T12 >> 1462359954.59988308 blocked summation (3820.76325s) started
T12 << 1462359959.42968702 blocked summation (3825.59305s) stopped
T12 >> 1462359959.43946195 Scalapack redistribute (3002.35665s) started
T12 << 1462359963.25156593 Scalapack redistribute (3006.16875s) stopped
T12 << 1462359963.25166392 Distribute overlap matrix (6840.45477s) stopped
T12 >> 1462359963.25601411 Blacs Orbital Layouts (48452.81091s) started
T12 >> 1462359963.26480508 General diagonalize (48262.35598s) started
T12 << 1462360019.87898302 General diagonalize (48318.97015s) stopped
T12 >> 1462360019.87902999 Redistribute coefs (7.43200s) started
T12 << 1462360019.88710594 Redistribute coefs (7.44008s) stopped
T12 >> 1462360019.88717890 Send coefs to domains (174.92140s) started
T12 << 1462360020.16160393 Send coefs to domains (175.19583s) stopped
T12 << 1462360020.16193795 Blacs Orbital Layouts (48509.71684s) stopped
T12 >> 1462360020.16197109 Calculate projections (1568.35439s) started
T12 << 1462360021.89210510 Calculate projections (1570.08453s) stopped
T12 << 1462360021.89229608 LCAO eigensolver (58160.53959s) stopped
T12 >> 1462360025.05998993 Density (13588.81007s) started
T12 >> 1462360025.06000495 Pseudo density (10457.68635s) started
T12 >> 1462360025.06254506 Calculate density matrix (9815.62494s) started
T12 << 1462360037.01433206 Calculate density matrix (9827.57672s) stopped
T12 >> 1462360037.01437902 Construct density (625.47241s) started
T12 << 1462360037.80069900 Construct density (626.25873s) stopped
T12 >> 1462360037.81565309 Symmetrize density (0.07034s) started
T12 << 1462360037.81571794 Symmetrize density (0.07041s) stopped
T12 << 1462360037.81778693 Pseudo density (10470.44413s) stopped
T12 >> 1462360037.81784701 Atomic density matrices (2768.54124s) started
T12 << 1462360041.37468791 Atomic density matrices (2772.09808s) stopped
T12 >> 1462360041.37472200 Multipole moments (10.67750s) started
T12 << 1462360041.39062691 Multipole moments (10.69340s) stopped
T12 >> 1462360041.39065909 Normalize (5.57262s) started
T12 << 1462360041.39680696 Normalize (5.57877s) stopped
T12 >> 1462360041.39687395 Mix (346.26636s) started
T12 << 1462360041.84275794 Mix (346.71224s) stopped
T12 << 1462360041.84280300 Density (13605.59288s) stopped
T12 >> 1462360041.84282994 Hamiltonian (41542.29715s) started
T12 >> 1462360041.84284401 vbar (21.92194s) started
T12 << 1462360041.86644912 vbar (21.94554s) stopped
T12 >> 1462360041.86659098 XC 3D grid (23246.56874s) started
T12 >> 1462360042.35188389 van der Waals (22450.00236s) started
T12 >> 1462360042.46147299 semilocal (4745.92945s) started
T12 << 1462360048.13054109 semilocal (4751.59851s) stopped
T12 >> 1462360048.22013998 redistribute (2410.11427s) started
T12 << 1462360049.33489108 redistribute (2411.22903s) stopped
T12 >> 1462360049.33496690 libvdwxc nonlocal (15137.33454s) started
T12 << 1462360067.63120890 libvdwxc nonlocal (15155.63078s) stopped
T12 >> 1462360067.63127398 redistribute (2411.22908s) started
T12 << 1462360069.36609411 redistribute (2412.96390s) stopped
T12 << 1462360069.36794591 van der Waals (22477.01843s) stopped
T12 << 1462360069.81426811 XC 3D grid (23274.51642s) stopped
T12 >> 1462360069.81431198 Poisson (4783.31209s) started
T12 << 1462360074.12177205 Poisson (4787.61955s) stopped
T12 >> 1462360074.12184691 Hartree integrate/restrict (306.61352s) started
T12 << 1462360074.16341805 Hartree integrate/restrict (306.65509s) stopped
T12 >> 1462360074.16346407 Hartree integrate/restrict (306.65512s) started
T12 << 1462360074.50018907 Hartree integrate/restrict (306.99184s) stopped
T12 >> 1462360074.50027204 Atomic (1964.00357s) started
T12 >> 1462360074.50214696 XC Correction (0.02703s) started
T12 << 1462360074.50216603 XC Correction (0.02705s) stopped
T12 << 1462360076.85264707 Atomic (1966.35594s) stopped
T12 >> 1462360076.85280991 Communicate (11219.55940s) started
T12 << 1462360094.99974799 Communicate (11237.70634s) stopped
T12 << 1462360094.99978495 Hamiltonian (41595.45411s) stopped
T12 >> 1462360094.99981403 LCAO eigensolver (58160.53961s) started
T12 >> 1462360094.99984694 Potential matrix (864.80615s) started
T12 << 1462360095.98359799 Potential matrix (865.78990s) stopped
T12 >> 1462360095.98367190 DistributedAtomicCorrection (371.10892s) started
T12 << 1462360096.42981696 DistributedAtomicCorrection (371.55507s) stopped
T12 >> 1462360096.42987704 Distribute overlap matrix (6840.45478s) started
T12 >> 1462360096.42989898 blocked summation (3825.59308s) started
T12 << 1462360101.29361200 blocked summation (3830.45680s) stopped
T12 >> 1462360101.30375504 Scalapack redistribute (3006.16881s) started
T12 << 1462360105.09806800 Scalapack redistribute (3009.96313s) stopped
T12 << 1462360105.09816909 Distribute overlap matrix (6849.12307s) stopped
T12 >> 1462360105.10208988 Blacs Orbital Layouts (48509.71686s) started
T12 >> 1462360105.11087894 General diagonalize (48318.97019s) started
T12 << 1462360160.55929303 General diagonalize (48374.41861s) stopped
T12 >> 1462360160.55933905 Redistribute coefs (7.44014s) started
T12 << 1462360160.56725192 Redistribute coefs (7.44805s) stopped
T12 >> 1462360160.56731701 Send coefs to domains (175.19586s) started
T12 << 1462360160.66287804 Send coefs to domains (175.29142s) stopped
T12 << 1462360160.66328406 Blacs Orbital Layouts (48565.27805s) stopped
T12 >> 1462360160.66331601 Calculate projections (1570.08458s) started
T12 << 1462360162.39262390 Calculate projections (1571.81389s) stopped
T12 << 1462360162.39297795 LCAO eigensolver (58227.93277s) stopped
T12 >> 1462360165.54689407 Density (13605.59290s) started
T12 >> 1462360165.54691005 Pseudo density (10470.44418s) started
T12 >> 1462360165.54915094 Calculate density matrix (9827.57676s) started
T12 << 1462360177.50018692 Calculate density matrix (9839.52780s) stopped
T12 >> 1462360177.50023603 Construct density (626.25878s) started
T12 << 1462360178.28526211 Construct density (627.04381s) stopped
T12 >> 1462360178.30009294 Symmetrize density (0.07042s) started
T12 << 1462360178.30015993 Symmetrize density (0.07049s) stopped
T12 << 1462360178.30221796 Pseudo density (10483.19949s) stopped
T12 >> 1462360178.30227590 Atomic density matrices (2772.09810s) started
T12 << 1462360181.86914206 Atomic density matrices (2775.66497s) stopped
T12 >> 1462360181.86917591 Multipole moments (10.69342s) started
T12 << 1462360181.88483191 Multipole moments (10.70907s) stopped
T12 >> 1462360181.88486409 Normalize (5.57882s) started
T12 << 1462360181.89107108 Normalize (5.58502s) stopped
T12 >> 1462360181.89113688 Mix (346.71229s) started
T12 << 1462360182.31726193 Mix (347.13841s) stopped
T12 << 1462360182.31731796 Density (13622.36332s) stopped
T12 >> 1462360182.31734800 Hamiltonian (41595.45412s) started
T12 >> 1462360182.31736207 vbar (21.94563s) started
T12 << 1462360182.34812307 vbar (21.97639s) stopped
T12 >> 1462360182.34827995 XC 3D grid (23274.51646s) started
T12 >> 1462360182.83781004 van der Waals (22477.01846s) started
T12 >> 1462360182.94643593 semilocal (4751.59863s) started
T12 << 1462360188.64055896 semilocal (4757.29275s) stopped
T12 >> 1462360188.72982502 redistribute (2412.96396s) started
T12 << 1462360189.83282304 redistribute (2414.06696s) stopped
T12 >> 1462360189.83289003 libvdwxc nonlocal (15155.63083s) started
T12 << 1462360207.94001603 libvdwxc nonlocal (15173.73795s) stopped
T12 >> 1462360207.94008207 redistribute (2414.06701s) started
T12 << 1462360209.67710590 redistribute (2415.80403s) stopped
T12 << 1462360209.67828393 van der Waals (22503.85894s) stopped
T12 << 1462360210.13190103 XC 3D grid (23302.30008s) stopped
T12 >> 1462360210.13196397 Poisson (4787.61961s) started
T12 << 1462360218.90678501 Poisson (4796.39443s) stopped
T12 >> 1462360218.90690899 Hartree integrate/restrict (306.99188s) started
T12 << 1462360218.95809102 Hartree integrate/restrict (307.04306s) stopped
T12 >> 1462360218.95814991 Hartree integrate/restrict (307.04310s) started
T12 << 1462360219.28167892 Hartree integrate/restrict (307.36663s) stopped
T12 >> 1462360219.28177595 Atomic (1966.35597s) started
T12 >> 1462360219.28356504 XC Correction (0.02706s) started
T12 << 1462360219.28359008 XC Correction (0.02708s) stopped
T12 << 1462360221.64191604 Atomic (1968.71611s) stopped
T12 >> 1462360221.64206791 Communicate (11237.70636s) started
T12 << 1462360239.80480504 Communicate (11255.86910s) stopped
T12 << 1462360239.80484509 Hamiltonian (41652.94162s) stopped
T12 >> 1462360239.80487108 LCAO eigensolver (58227.93279s) started
T12 >> 1462360239.80488491 Potential matrix (865.78994s) started
T12 << 1462360240.77981210 Potential matrix (866.76487s) stopped
T12 >> 1462360240.77990103 DistributedAtomicCorrection (371.55511s) started
T12 << 1462360241.22481894 DistributedAtomicCorrection (372.00002s) stopped
T12 >> 1462360241.22488093 Distribute overlap matrix (6849.12309s) started
T12 >> 1462360241.22490311 blocked summation (3830.45683s) started
T12 << 1462360246.07147408 blocked summation (3835.30340s) stopped
T12 >> 1462360246.08087492 Scalapack redistribute (3009.96319s) started
T12 << 1462360249.93076992 Scalapack redistribute (3013.81308s) stopped
T12 << 1462360249.93087506 Distribute overlap matrix (6857.82908s) stopped
T12 >> 1462360249.93487811 Blacs Orbital Layouts (48565.27807s) started
T12 >> 1462360249.94384694 General diagonalize (48374.41864s) started
T12 << 1462360304.40045094 General diagonalize (48428.87525s) stopped
T12 >> 1462360304.40049601 Redistribute coefs (7.44810s) started
T12 << 1462360304.40878892 Redistribute coefs (7.45639s) stopped
T12 >> 1462360304.40885592 Send coefs to domains (175.29146s) started
T12 << 1462360304.65732098 Send coefs to domains (175.53992s) stopped
T12 << 1462360304.65797997 Blacs Orbital Layouts (48620.00117s) stopped
T12 >> 1462360304.65801096 Calculate projections (1571.81394s) started
T12 << 1462360306.38848090 Calculate projections (1573.54441s) stopped
T12 << 1462360306.38883495 LCAO eigensolver (58294.51675s) stopped
T12 >> 1462360309.53300190 Density (13622.36333s) started
T12 >> 1462360309.53301692 Pseudo density (10483.19954s) started
T12 >> 1462360309.53493190 Calculate density matrix (9839.52783s) started
T12 << 1462360321.48064208 Calculate density matrix (9851.47354s) stopped
T12 >> 1462360321.48069000 Construct density (627.04386s) started
T12 << 1462360322.26668811 Construct density (627.82986s) stopped
T12 >> 1462360322.28159499 Symmetrize density (0.07051s) started
T12 << 1462360322.28166008 Symmetrize density (0.07057s) stopped
T12 << 1462360322.28371811 Pseudo density (10495.95024s) stopped
T12 >> 1462360322.28377509 Atomic density matrices (2775.66499s) started
T12 << 1462360325.97328901 Atomic density matrices (2779.35451s) stopped
T12 >> 1462360325.97332191 Multipole moments (10.70909s) started
T12 << 1462360325.98898911 Multipole moments (10.72476s) stopped
T12 >> 1462360325.98902011 Normalize (5.58507s) started
T12 << 1462360325.99516892 Normalize (5.59122s) stopped
T12 >> 1462360325.99526811 Mix (347.13847s) started
T12 << 1462360326.40112209 Mix (347.54432s) stopped
T12 << 1462360326.40120792 Density (13639.23154s) stopped
T12 >> 1462360326.40124607 Hamiltonian (41652.94163s) started
T12 >> 1462360326.40126300 vbar (21.97648s) started
T12 << 1462360326.43059611 vbar (22.00582s) stopped
T12 >> 1462360326.43072391 XC 3D grid (23302.30013s) started
T12 >> 1462360326.97090793 van der Waals (22503.85898s) started
T12 >> 1462360327.07832789 semilocal (4757.29289s) started
T12 << 1462360332.82752609 semilocal (4763.04208s) stopped
T12 >> 1462360332.90686893 redistribute (2415.80410s) started
T12 << 1462360333.98561311 redistribute (2416.88284s) stopped
T12 >> 1462360333.98567295 libvdwxc nonlocal (15173.73801s) started
T12 << 1462360352.66510510 libvdwxc nonlocal (15192.41744s) stopped
T12 >> 1462360352.66514993 redistribute (2416.88289s) started
T12 << 1462360354.39038301 redistribute (2418.60812s) stopped
T12 << 1462360354.39187098 van der Waals (22531.27994s) stopped
T12 << 1462360354.85018897 XC 3D grid (23330.71959s) stopped
T12 >> 1462360354.85022902 Poisson (4796.39452s) started
T12 << 1462360359.23779392 Poisson (4800.78209s) stopped
T12 >> 1462360359.23786592 Hartree integrate/restrict (307.36668s) started
T12 << 1462360359.28650188 Hartree integrate/restrict (307.41531s) stopped
T12 >> 1462360359.28655005 Hartree integrate/restrict (307.41534s) started
T12 << 1462360359.59769607 Hartree integrate/restrict (307.72649s) stopped
T12 >> 1462360359.59780598 Atomic (1968.71613s) started
T12 >> 1462360359.59961104 XC Correction (0.02709s) started
T12 << 1462360359.59962702 XC Correction (0.02711s) stopped
T12 << 1462360361.95505691 Atomic (1971.07338s) stopped
T12 >> 1462360361.95520496 Communicate (11255.86912s) started
T12 << 1462360380.06339002 Communicate (11273.97731s) stopped
T12 << 1462360380.06342912 Hamiltonian (41706.60382s) stopped
T12 >> 1462360380.06345510 LCAO eigensolver (58294.51677s) started
T12 >> 1462360380.06346893 Potential matrix (866.76492s) started
T12 << 1462360381.05182600 Potential matrix (867.75328s) stopped
T12 >> 1462360381.05190206 DistributedAtomicCorrection (372.00006s) started
T12 << 1462360381.49555993 DistributedAtomicCorrection (372.44372s) stopped
T12 >> 1462360381.49562097 Distribute overlap matrix (6857.82909s) started
T12 >> 1462360381.49564290 blocked summation (3835.30343s) started
T12 << 1462360386.33162403 blocked summation (3840.13941s) stopped
T12 >> 1462360386.34151793 Scalapack redistribute (3013.81315s) started
T12 << 1462360390.21503091 Scalapack redistribute (3017.68666s) stopped
T12 << 1462360390.21512294 Distribute overlap matrix (6866.54860s) stopped
T12 >> 1462360390.21923995 Blacs Orbital Layouts (48620.00119s) started
T12 >> 1462360390.22787404 General diagonalize (48428.87529s) started
T12 << 1462360443.17512393 General diagonalize (48481.82254s) stopped
T12 >> 1462360443.17516994 Redistribute coefs (7.45645s) started
T12 << 1462360443.18334007 Redistribute coefs (7.46462s) stopped
T12 >> 1462360443.18340611 Send coefs to domains (175.53995s) started
T12 << 1462360443.34840393 Send coefs to domains (175.70495s) stopped
T12 << 1462360443.34891796 Blacs Orbital Layouts (48673.13087s) stopped
T12 >> 1462360443.34895110 Calculate projections (1573.54446s) started
T12 << 1462360445.07917190 Calculate projections (1575.27468s) stopped
T12 << 1462360445.07953095 LCAO eigensolver (58359.53285s) stopped
T12 >> 1462360448.21285009 Density (13639.23156s) started
T12 >> 1462360448.21286702 Pseudo density (10495.95028s) started
T12 >> 1462360448.21459007 Calculate density matrix (9851.47358s) started
T12 << 1462360460.15182090 Calculate density matrix (9863.41081s) stopped
T12 >> 1462360460.15186906 Construct density (627.82991s) started
T12 << 1462360460.93954802 Construct density (628.61759s) stopped
T12 >> 1462360460.95466304 Symmetrize density (0.07059s) started
T12 << 1462360460.95472598 Symmetrize density (0.07065s) stopped
T12 << 1462360460.95680189 Pseudo density (10508.69422s) stopped
T12 >> 1462360460.95685911 Atomic density matrices (2779.35453s) started
T12 << 1462360464.51186490 Atomic density matrices (2782.90954s) stopped
T12 >> 1462360464.51189899 Multipole moments (10.72477s) started
T12 << 1462360464.52815700 Multipole moments (10.74103s) stopped
T12 >> 1462360464.52818894 Normalize (5.59130s) started
T12 << 1462360464.53456211 Normalize (5.59767s) stopped
T12 >> 1462360464.53466296 Mix (347.54441s) started
T12 << 1462360464.96577501 Mix (347.97552s) stopped
T12 << 1462360464.96583295 Density (13655.98454s) stopped
T12 >> 1462360464.96586204 Hamiltonian (41706.60383s) started
T12 >> 1462360464.96587610 vbar (22.00590s) started
T12 << 1462360464.98725700 vbar (22.02728s) stopped
T12 >> 1462360464.98737001 XC 3D grid (23330.71962s) started
T12 >> 1462360465.49380207 van der Waals (22531.28000s) started
T12 >> 1462360465.60193491 semilocal (4763.04218s) started
T12 << 1462360471.34288001 semilocal (4768.78313s) stopped
T12 >> 1462360471.42242408 redistribute (2418.60816s) started
T12 << 1462360472.47288799 redistribute (2419.65862s) stopped
T12 >> 1462360472.47293091 libvdwxc nonlocal (15192.41747s) started
T12 << 1462360491.36651611 libvdwxc nonlocal (15211.31106s) stopped
T12 >> 1462360491.36658597 redistribute (2419.65866s) started
T12 << 1462360493.18028593 redistribute (2421.47236s) stopped
T12 << 1462360493.18137002 van der Waals (22558.96757s) stopped
T12 << 1462360493.65114403 XC 3D grid (23359.38340s) stopped
T12 >> 1462360493.65121293 Poisson (4800.78214s) started
T12 << 1462360498.03229308 Poisson (4805.16322s) stopped
T12 >> 1462360498.03241611 Hartree integrate/restrict (307.72654s) started
T12 << 1462360498.08292389 Hartree integrate/restrict (307.77705s) stopped
T12 >> 1462360498.08300805 Hartree integrate/restrict (307.77711s) started
T12 << 1462360498.45110202 Hartree integrate/restrict (308.14520s) stopped
T12 >> 1462360498.45118690 Atomic (1971.07340s) started
T12 >> 1462360498.45299196 XC Correction (0.02712s) started
T12 << 1462360498.45301104 XC Correction (0.02714s) stopped
T12 << 1462360500.79436994 Atomic (1973.41658s) stopped
T12 >> 1462360500.79451394 Communicate (11273.97734s) started
T12 << 1462360519.07675409 Communicate (11292.25958s) stopped
T12 << 1462360519.07679296 Hamiltonian (41760.71476s) stopped
T12 >> 1462360519.07682204 LCAO eigensolver (58359.53286s) started
T12 >> 1462360519.07683492 Potential matrix (867.75333s) started
T12 << 1462360520.06580591 Potential matrix (868.74230s) stopped
T12 >> 1462360520.06588101 DistributedAtomicCorrection (372.44376s) started
T12 << 1462360520.51607990 DistributedAtomicCorrection (372.89396s) stopped
T12 >> 1462360520.51614404 Distribute overlap matrix (6866.54861s) started
T12 >> 1462360520.51616597 blocked summation (3840.13944s) started
T12 << 1462360525.39865994 blocked summation (3845.02194s) stopped
T12 >> 1462360525.40780306 Scalapack redistribute (3017.68672s) started
T12 << 1462360529.18183303 Scalapack redistribute (3021.46075s) stopped
T12 << 1462360529.18193102 Distribute overlap matrix (6875.21440s) stopped
T12 >> 1462360529.18622303 Blacs Orbital Layouts (48673.13089s) started
T12 >> 1462360529.19503689 General diagonalize (48481.82257s) started
T12 << 1462360582.97556090 General diagonalize (48535.60310s) stopped
T12 >> 1462360582.97560692 Redistribute coefs (7.46467s) started
T12 << 1462360582.98359990 Redistribute coefs (7.47266s) stopped
T12 >> 1462360582.98364401 Send coefs to domains (175.70498s) started
T12 << 1462360583.07683802 Send coefs to domains (175.79818s) stopped
T12 << 1462360583.07720089 Blacs Orbital Layouts (48727.02187s) stopped
T12 >> 1462360583.07723594 Calculate projections (1575.27473s) started
T12 << 1462360584.80809093 Calculate projections (1577.00559s) stopped
T12 << 1462360584.80844593 LCAO eigensolver (58425.26449s) stopped
T12 >> 1462360587.95666504 Density (13655.98455s) started
T12 >> 1462360587.95668006 Pseudo density (10508.69427s) started
T12 >> 1462360587.95892310 Calculate density matrix (9863.41085s) started
T12 << 1462360599.88370609 Calculate density matrix (9875.33563s) stopped
T12 >> 1462360599.88375592 Construct density (628.61764s) started
T12 << 1462360600.67103291 Construct density (629.40492s) stopped
T12 >> 1462360600.68601298 Symmetrize density (0.07067s) started
T12 << 1462360600.68607807 Symmetrize density (0.07073s) stopped
T12 << 1462360600.68813896 Pseudo density (10521.42572s) stopped
T12 >> 1462360600.68819690 Atomic density matrices (2782.90956s) started
T12 << 1462360604.22421408 Atomic density matrices (2786.44558s) stopped
T12 >> 1462360604.22424698 Multipole moments (10.74105s) started
T12 << 1462360604.24055791 Multipole moments (10.75736s) stopped
T12 >> 1462360604.24059010 Normalize (5.59775s) started
T12 << 1462360604.24704790 Normalize (5.60421s) stopped
T12 >> 1462360604.24712610 Mix (347.97558s) started
T12 << 1462360604.69308805 Mix (348.42154s) stopped
T12 << 1462360604.69315004 Density (13672.72104s) stopped
T12 >> 1462360604.69317889 Hamiltonian (41760.71478s) started
T12 >> 1462360604.69319296 vbar (22.02734s) started
T12 << 1462360604.72411609 vbar (22.05827s) stopped
T12 >> 1462360604.72419095 XC 3D grid (23359.38345s) started
T12 >> 1462360605.23394203 van der Waals (22558.96759s) started
T12 >> 1462360605.34438491 semilocal (4768.78326s) started
T12 << 1462360611.14082408 semilocal (4774.57969s) stopped
T12 >> 1462360611.21858311 redistribute (2421.47241s) started
T12 << 1462360612.23331308 redistribute (2422.48714s) stopped
T12 >> 1462360612.23335600 libvdwxc nonlocal (15211.31111s) started
T12 << 1462360630.57602906 libvdwxc nonlocal (15229.65378s) stopped
T12 >> 1462360630.57608891 redistribute (2422.48717s) started
T12 << 1462360632.28092790 redistribute (2424.19201s) stopped
T12 << 1462360632.28215003 van der Waals (22586.01580s) stopped
T12 << 1462360632.75065494 XC 3D grid (23387.40992s) stopped
T12 >> 1462360632.75070500 Poisson (4805.16332s) started
T12 << 1462360637.14919496 Poisson (4809.56181s) stopped
T12 >> 1462360637.14932704 Hartree integrate/restrict (308.14525s) started
T12 << 1462360637.19132090 Hartree integrate/restrict (308.18724s) stopped
T12 >> 1462360637.19136906 Hartree integrate/restrict (308.18727s) started
T12 << 1462360637.51106596 Hartree integrate/restrict (308.50697s) stopped
T12 >> 1462360637.51116204 Atomic (1973.41661s) started
T12 >> 1462360637.51289010 XC Correction (0.02715s) started
T12 << 1462360637.51290488 XC Correction (0.02717s) stopped
T12 << 1462360639.86653996 Atomic (1975.77198s) stopped
T12 >> 1462360639.86667609 Communicate (11292.25960s) started
T12 << 1462360658.14342403 Communicate (11310.53635s) stopped
T12 << 1462360658.14346194 Hamiltonian (41814.16506s) stopped
T12 >> 1462360658.14348698 LCAO eigensolver (58425.26451s) started
T12 >> 1462360658.14350104 Potential matrix (868.74234s) started
T12 << 1462360659.12629104 Potential matrix (869.72513s) stopped
T12 >> 1462360659.12636399 DistributedAtomicCorrection (372.89400s) started
T12 << 1462360659.57852197 DistributedAtomicCorrection (373.34616s) stopped
T12 >> 1462360659.57858491 Distribute overlap matrix (6875.21441s) started
T12 >> 1462360659.57860804 blocked summation (3845.02197s) started
T12 << 1462360664.46301007 blocked summation (3849.90637s) stopped
T12 >> 1462360664.47234607 Scalapack redistribute (3021.46080s) started
T12 << 1462360668.26563191 Scalapack redistribute (3025.25409s) stopped
T12 << 1462360668.26574302 Distribute overlap matrix (6883.90157s) stopped
T12 >> 1462360668.27002311 Blacs Orbital Layouts (48727.02189s) started
T12 >> 1462360668.27886009 General diagonalize (48535.60314s) started
T12 << 1462360724.30104303 General diagonalize (48591.62532s) stopped
T12 >> 1462360724.30109811 Redistribute coefs (7.47270s) started
T12 << 1462360724.31078100 Redistribute coefs (7.48238s) stopped
T12 >> 1462360724.31083393 Send coefs to domains (175.79821s) started
T12 << 1462360724.41214800 Send coefs to domains (175.89952s) stopped
T12 << 1462360724.41276002 Blacs Orbital Layouts (48783.16462s) stopped
T12 >> 1462360724.41279507 Calculate projections (1577.00564s) started
T12 << 1462360726.15335703 Calculate projections (1578.74620s) stopped
T12 << 1462360726.15381503 LCAO eigensolver (58493.27483s) stopped
T12 >> 1462360729.31476498 Density (13672.72105s) started
T12 >> 1462360729.31478095 Pseudo density (10521.42577s) started
T12 >> 1462360729.31744194 Calculate density matrix (9875.33566s) started
T12 << 1462360741.24923301 Calculate density matrix (9887.26745s) stopped
T12 >> 1462360741.24928999 Construct density (629.40497s) started
T12 << 1462360742.03379989 Construct density (630.18948s) stopped
T12 >> 1462360742.05117607 Symmetrize density (0.07075s) started
T12 << 1462360742.05125093 Symmetrize density (0.07083s) stopped
T12 << 1462360742.05370092 Pseudo density (10534.16469s) stopped
T12 >> 1462360742.05376911 Atomic density matrices (2786.44560s) started
T12 << 1462360745.58298111 Atomic density matrices (2789.97482s) stopped
T12 >> 1462360745.58301902 Multipole moments (10.75738s) started
T12 << 1462360745.59868908 Multipole moments (10.77305s) stopped
T12 >> 1462360745.59872293 Normalize (5.60427s) started
T12 << 1462360745.60524511 Normalize (5.61079s) stopped
T12 >> 1462360745.60528994 Mix (348.42160s) started
T12 << 1462360746.06191707 Mix (348.87823s) stopped
T12 << 1462360746.06198406 Density (13689.46827s) stopped
T12 >> 1462360746.06201601 Hamiltonian (41814.16507s) started
T12 >> 1462360746.06203198 vbar (22.05831s) started
T12 << 1462360746.09524894 vbar (22.09153s) stopped
T12 >> 1462360746.09533691 XC 3D grid (23387.40995s) started
T12 >> 1462360746.56236506 van der Waals (22586.01583s) started
T12 >> 1462360746.67586803 semilocal (4774.57984s) started
T12 << 1462360752.48948407 semilocal (4780.39346s) stopped
T12 >> 1462360752.56001210 redistribute (2424.19204s) started
T12 << 1462360753.54309201 redistribute (2425.17512s) stopped
T12 >> 1462360753.54314494 libvdwxc nonlocal (15229.65383s) started
T12 << 1462360772.25860500 libvdwxc nonlocal (15248.36929s) stopped
T12 >> 1462360772.25867009 redistribute (2425.17516s) started
T12 << 1462360774.01918292 redistribute (2426.93567s) stopped
T12 << 1462360774.02024889 van der Waals (22613.47371s) stopped
T12 << 1462360774.48415899 XC 3D grid (23415.79878s) stopped
T12 >> 1462360774.48420095 Poisson (4809.56191s) started
T12 << 1462360778.85100198 Poisson (4813.92871s) stopped
T12 >> 1462360778.85109496 Hartree integrate/restrict (308.50702s) started
T12 << 1462360778.89636707 Hartree integrate/restrict (308.55229s) stopped
T12 >> 1462360778.89640808 Hartree integrate/restrict (308.55232s) started
T12 << 1462360779.22422099 Hartree integrate/restrict (308.88013s) stopped
T12 >> 1462360779.22429705 Atomic (1975.77201s) started
T12 >> 1462360779.22601008 XC Correction (0.02718s) started
T12 << 1462360779.22602606 XC Correction (0.02719s) stopped
T12 << 1462360781.57878304 Atomic (1978.12649s) stopped
T12 >> 1462360781.57891393 Communicate (11310.53638s) started
T12 << 1462360799.99103498 Communicate (11328.94850s) stopped
T12 << 1462360799.99107194 Hamiltonian (41868.09413s) stopped
T12 >> 1462360799.99109602 LCAO eigensolver (58493.27486s) started
T12 >> 1462360799.99111009 Potential matrix (869.72518s) started
T12 << 1462360800.97502398 Potential matrix (870.70909s) stopped
T12 >> 1462360800.97509599 DistributedAtomicCorrection (373.34620s) started
T12 << 1462360801.43232012 DistributedAtomicCorrection (373.80342s) stopped
T12 >> 1462360801.43238211 Distribute overlap matrix (6883.90158s) started
T12 >> 1462360801.43240404 blocked summation (3849.90640s) started
T12 << 1462360806.33257699 blocked summation (3854.80658s) stopped
T12 >> 1462360806.34205699 Scalapack redistribute (3025.25416s) started
T12 << 1462360810.20515108 Scalapack redistribute (3029.11725s) stopped
T12 << 1462360810.20524907 Distribute overlap matrix (6892.67445s) stopped
T12 >> 1462360810.20939302 Blacs Orbital Layouts (48783.16464s) started
T12 >> 1462360810.21805692 General diagonalize (48591.62537s) started
T12 << 1462360863.56746197 General diagonalize (48644.97477s) stopped
T12 >> 1462360863.56753397 Redistribute coefs (7.48242s) started
T12 << 1462360863.57596993 Redistribute coefs (7.49086s) stopped
T12 >> 1462360863.57603407 Send coefs to domains (175.89956s) started
T12 << 1462360863.68035102 Send coefs to domains (176.00388s) stopped
T12 << 1462360863.68069291 Blacs Orbital Layouts (48836.63594s) stopped
T12 >> 1462360863.68072510 Calculate projections (1578.74626s) started
T12 << 1462360865.41632795 Calculate projections (1580.48186s) stopped
T12 << 1462360865.41668010 LCAO eigensolver (58558.70044s) stopped
T12 >> 1462360868.59210896 Density (13689.46829s) started
T12 >> 1462360868.59212399 Pseudo density (10534.16475s) started
T12 >> 1462360868.59455299 Calculate density matrix (9887.26749s) started
T12 << 1462360880.50299096 Calculate density matrix (9899.17593s) stopped
T12 >> 1462360880.50303793 Construct density (630.18954s) started
T12 << 1462360881.29063201 Construct density (630.97714s) stopped
T12 >> 1462360881.30640507 Symmetrize density (0.07084s) started
T12 << 1462360881.30647111 Symmetrize density (0.07091s) stopped
T12 << 1462360881.30855298 Pseudo density (10546.88117s) stopped
T12 >> 1462360881.30861092 Atomic density matrices (2789.97484s) started
T12 << 1462360884.85756493 Atomic density matrices (2793.52380s) stopped
T12 >> 1462360884.85759807 Multipole moments (10.77306s) started
T12 << 1462360884.87392807 Multipole moments (10.78939s) stopped
T12 >> 1462360884.87398505 Normalize (5.61082s) started
T12 << 1462360884.88003302 Normalize (5.61687s) stopped
T12 >> 1462360884.88010812 Mix (348.87829s) started
T12 << 1462360885.29224396 Mix (349.29043s) stopped
T12 << 1462360885.29229307 Density (13706.16847s) stopped
T12 >> 1462360885.29232311 Hamiltonian (41868.09414s) started
T12 >> 1462360885.29233789 vbar (22.09157s) started
T12 << 1462360885.31478310 vbar (22.11401s) stopped
T12 >> 1462360885.31489992 XC 3D grid (23415.79881s) started
T12 >> 1462360885.80494690 van der Waals (22613.47374s) started
T12 >> 1462360885.91546988 semilocal (4780.39354s) started
T12 << 1462360891.77387905 semilocal (4786.25195s) stopped
T12 >> 1462360891.84872699 redistribute (2426.93572s) started
T12 << 1462360892.79904389 redistribute (2427.88604s) stopped
T12 >> 1462360892.79909801 libvdwxc nonlocal (15248.36934s) started
T12 << 1462360911.86826611 libvdwxc nonlocal (15267.43850s) stopped
T12 >> 1462360911.86833405 redistribute (2427.88607s) started
T12 << 1462360913.62969589 redistribute (2429.64744s) stopped
T12 << 1462360913.63112807 van der Waals (22641.29993s) stopped
T12 << 1462360914.07900405 XC 3D grid (23444.56291s) stopped
T12 >> 1462360914.07904911 Poisson (4813.92877s) started
T12 << 1462360917.07379293 Poisson (4816.92352s) stopped
T12 >> 1462360917.07386994 Hartree integrate/restrict (308.88016s) started
T12 << 1462360917.12913489 Hartree integrate/restrict (308.93543s) stopped
T12 >> 1462360917.12917495 Hartree integrate/restrict (308.93545s) started
T12 << 1462360917.45386505 Hartree integrate/restrict (309.26014s) stopped
T12 >> 1462360917.45397401 Atomic (1978.12651s) started
T12 >> 1462360917.45568609 XC Correction (0.02720s) started
T12 << 1462360917.45570302 XC Correction (0.02722s) stopped
T12 << 1462360919.80752492 Atomic (1980.48007s) stopped
T12 >> 1462360919.80765200 Communicate (11328.94852s) started
T12 << 1462360938.27974892 Communicate (11347.42062s) stopped
T12 << 1462360938.27978992 Hamiltonian (41921.08161s) stopped
T12 >> 1462360938.27981710 LCAO eigensolver (58558.70046s) started
T12 >> 1462360938.27982998 Potential matrix (870.70913s) started
T12 << 1462360939.26928902 Potential matrix (871.69859s) stopped
T12 >> 1462360939.26936007 DistributedAtomicCorrection (373.80346s) started
T12 << 1462360939.72388506 DistributedAtomicCorrection (374.25799s) stopped
T12 >> 1462360939.72394800 Distribute overlap matrix (6892.67446s) started
T12 >> 1462360939.72396994 blocked summation (3854.80661s) started
T12 << 1462360944.65380907 blocked summation (3859.73645s) stopped
T12 >> 1462360944.66375709 Scalapack redistribute (3029.11731s) started
T12 << 1462360948.40483809 Scalapack redistribute (3032.85839s) stopped
T12 << 1462360948.40493298 Distribute overlap matrix (6901.35545s) stopped
T12 >> 1462360948.40884805 Blacs Orbital Layouts (48836.63596s) started
T12 >> 1462360948.41740990 General diagonalize (48644.97483s) started
T12 << 1462361002.60863996 General diagonalize (48699.16606s) stopped
T12 >> 1462361002.60871291 Redistribute coefs (7.49091s) started
T12 << 1462361002.61733103 Redistribute coefs (7.49953s) stopped
T12 >> 1462361002.61739302 Send coefs to domains (176.00391s) started
T12 << 1462361002.71043706 Send coefs to domains (176.09696s) stopped
T12 << 1462361002.71080399 Blacs Orbital Layouts (48890.93792s) stopped
T12 >> 1462361002.71083808 Calculate projections (1580.48191s) started
T12 << 1462361004.44740891 Calculate projections (1582.21848s) stopped
T12 << 1462361004.44775391 LCAO eigensolver (58624.86840s) stopped
T12 << 1462361007.57958007 SCF-cycle (117090.57674s) stopped
T12 >> 1462361009.72672796 Force calculation (5640.78609s) started
T12 >> 1462361009.72681403 LCAO forces (5579.93221s) started
T12 >> 1462361009.72717500 Initial (0.00160s) started
T12 << 1462361009.72718692 Initial (0.00162s) stopped
T12 >> 1462361009.73404789 Get density matrix (2891.84202s) started
T12 << 1462361018.90887809 Get density matrix (2901.01685s) stopped
T12 >> 1462361018.90894198 Potential (438.18187s) started
T12 << 1462361025.21336794 Potential (444.48630s) stopped
T12 >> 1462361025.21343088 Get density matrix (2901.01690s) started
T12 << 1462361057.28889489 Get density matrix (2933.09237s) stopped
T12 >> 1462361057.28895092 Prepare TCI loop (156.91535s) started
T12 >> 1462361057.28945708 Get neighbors (139.12556s) started
T12 << 1462361059.21527791 Get neighbors (141.05138s) stopped
T12 >> 1462361059.21606588 broadcast dH (17.70449s) started
T12 << 1462361059.72774601 broadcast dH (18.21617s) stopped
T12 << 1462361059.72779202 Prepare TCI loop (159.35419s) stopped
T12 >> 1462361059.72781205 Not so complicated loop (8.50445s) started
T12 << 1462361059.84743309 Not so complicated loop (8.62407s) stopped
T12 >> 1462361059.96653700 Complicated loop (1352.78087s) started
T12 << 1462361079.83510900 Complicated loop (1372.64945s) stopped
T12 >> 1462361079.83614707 Wait for sum (722.46515s) started
T12 << 1462361091.63242102 Wait for sum (734.26142s) stopped
T12 << 1462361091.63246012 LCAO forces (5661.83786s) stopped
T12 << 1462361092.47735596 Force calculation (5723.53672s) stopped
T12 >> 1462361092.49540401 Initialization (9478.92375s) started
T12 << 1462361092.49557400 Initialization (9478.92392s) stopped
T12 >> 1462361092.49582291 Initialization (9478.92394s) started
T12 << 1462361092.49595809 Initialization (9478.92407s) stopped
T12 >> 1462361092.49609590 Initialization (9478.92409s) started
T12 << 1462361092.49622798 Initialization (9478.92422s) stopped
T12 >> 1462361112.86765695 Initialization (9478.92424s) started
T12 >> 1462361112.97587991 Basic WFS set positions (6.40868s) started
T12 >> 1462361112.97590303 Redistribute (0.02056s) started
T12 << 1462361112.97603798 Redistribute (0.02070s) stopped
T12 << 1462361113.06906295 Basic WFS set positions (6.50187s) stopped
T12 >> 1462361113.06909394 Basis functions set positions (135.57411s) started
T12 << 1462361115.10836005 Basis functions set positions (137.61337s) stopped
T12 >> 1462361115.10889006 TCI: Calculate S, T, P (1115.14940s) started
T12 << 1462361130.72410107 TCI: Calculate S, T, P (1130.76461s) stopped
T12 >> 1462361130.72415495 blocked summation (1914.19096s) started
T12 << 1462361164.08414412 blocked summation (1947.55095s) stopped
T12 >> 1462361164.09437394 Scalapack redistribute (676.92664s) started
T12 << 1462361175.45971489 Scalapack redistribute (688.29198s) stopped
T12 >> 1462361175.46076298 blocked summation (1947.55098s) started
T12 << 1462361176.53772211 blocked summation (1948.62794s) stopped
T12 >> 1462361176.54720211 Scalapack redistribute (688.29205s) started
T12 << 1462361176.86584306 Scalapack redistribute (688.61069s) stopped
T12 >> 1462361176.86773300 Redistribute (0.13135s) started
T12 << 1462361176.86825490 Redistribute (0.13188s) stopped
T12 >> 1462361178.68104410 Redistribute (0.13189s) started
T12 << 1462361178.68150496 Redistribute (0.13235s) stopped
T12 >> 1462361178.69627094 LCAO WFS Initialize (5489.37006s) started
T12 >> 1462361178.69636798 Density initialize from wavefunctions (1035.49005s) started
T12 >> 1462361178.70189309 Calculate density matrix (712.74545s) started
T12 << 1462361189.62195206 Calculate density matrix (723.66551s) stopped
T12 >> 1462361189.62200189 Construct density (54.87693s) started
T12 << 1462361190.40648389 Construct density (55.66141s) stopped
T12 >> 1462361190.42095304 Symmetrize density (0.00599s) started
T12 << 1462361190.42102003 Symmetrize density (0.00605s) stopped
T12 << 1462361194.30081296 Density initialize from wavefunctions (1051.09450s) stopped
T12 >> 1462361194.30106592 Hamiltonian (4452.94313s) started
T12 >> 1462361194.30108404 vbar (2.01685s) started
T12 << 1462361194.32452512 vbar (2.04029s) stopped
T12 >> 1462361194.32463288 XC 3D grid (2075.27073s) started
T12 >> 1462361194.85015392 van der Waals (2004.59254s) started
T12 >> 1462361194.95772791 semilocal (422.65014s) started
T12 << 1462361200.80047894 semilocal (428.49289s) stopped
T12 >> 1462361200.87578893 redistribute (224.59979s) started
T12 << 1462361201.81674194 redistribute (225.54074s) stopped
T12 >> 1462361201.81678796 libvdwxc nonlocal (1343.35834s) started
T12 << 1462361221.06288004 libvdwxc nonlocal (1362.60444s) stopped
T12 >> 1462361221.06297112 redistribute (225.54078s) started
T12 << 1462361222.99599290 redistribute (227.47380s) stopped
T12 << 1462361222.99732995 van der Waals (2032.73972s) stopped
T12 << 1462361223.45863509 XC 3D grid (2104.40473s) stopped
T12 >> 1462361223.45867610 Poisson (1025.62109s) started
T12 << 1462361238.12261701 Poisson (1040.28503s) stopped
T12 >> 1462361238.12274194 Hartree integrate/restrict (27.32444s) started
T12 << 1462361238.16785407 Hartree integrate/restrict (27.36956s) stopped
T12 >> 1462361238.16792297 Hartree integrate/restrict (27.36960s) started
T12 << 1462361238.51184392 Hartree integrate/restrict (27.71352s) stopped
T12 >> 1462361238.51192188 Atomic (173.04283s) started
T12 >> 1462361238.51408195 XC Correction (0.00261s) started
T12 << 1462361238.51410508 XC Correction (0.00263s) stopped
T12 << 1462361240.80537200 Atomic (175.33629s) stopped
T12 >> 1462361240.80554295 Communicate (1149.61277s) started
T12 << 1462361260.87946200 Communicate (1169.68668s) stopped
T12 << 1462361260.87949705 Hamiltonian (4519.52156s) stopped
T12 << 1462361260.87951112 LCAO WFS Initialize (5571.55330s) stopped
T12 << 1462361260.89167595 Initialization (9626.94826s) stopped
T12 >> 1462361260.91789699 SCF-cycle (117090.57676s) started
T12 >> 1462361260.91793108 LCAO eigensolver (58624.86842s) started
T12 >> 1462361260.91794395 Potential matrix (871.69863s) started
T12 << 1462361261.90004110 Potential matrix (872.68073s) stopped
T12 >> 1462361261.90012789 DistributedAtomicCorrection (374.25802s) started
T12 << 1462361262.35834599 DistributedAtomicCorrection (374.71624s) stopped
T12 >> 1462361262.35839295 Distribute overlap matrix (6901.35546s) started
T12 >> 1462361262.35842705 blocked summation (3859.73648s) started
T12 << 1462361267.18141294 blocked summation (3864.55946s) stopped
T12 >> 1462361267.19057202 Scalapack redistribute (3032.85844s) started
T12 << 1462361270.84729910 Scalapack redistribute (3036.51517s) stopped
T12 << 1462361270.84735394 Distribute overlap matrix (6909.84442s) stopped
T12 >> 1462361270.85209608 Blacs Orbital Layouts (48890.93794s) started
T12 >> 1462361270.86101294 General diagonalize (48699.16612s) started
T12 << 1462361324.34697795 General diagonalize (48752.65209s) stopped
T12 >> 1462361324.34706807 Redistribute coefs (7.49958s) started
T12 << 1462361324.35652494 Redistribute coefs (7.50903s) stopped
T12 >> 1462361324.35657501 Send coefs to domains (176.09699s) started
T12 << 1462361324.46976495 Send coefs to domains (176.21018s) stopped
T12 << 1462361324.47031093 Blacs Orbital Layouts (48944.55615s) stopped
T12 >> 1462361324.47034192 Calculate projections (1582.21853s) started
T12 << 1462361326.21404600 Calculate projections (1583.96223s) stopped
T12 << 1462361326.21427703 LCAO eigensolver (58690.16477s) stopped
T12 >> 1462361329.36600900 Density (13706.16848s) started
T12 >> 1462361329.36602497 Pseudo density (10546.88122s) started
T12 >> 1462361329.36807609 Calculate density matrix (9899.17596s) started
T12 << 1462361342.47985911 Calculate density matrix (9912.28775s) stopped
T12 >> 1462361342.47991610 Construct density (630.97719s) started
T12 << 1462361343.26573110 Construct density (631.76300s) stopped
T12 >> 1462361343.28187490 Symmetrize density (0.07093s) started
T12 << 1462361343.28195095 Symmetrize density (0.07100s) stopped
T12 << 1462361343.28447008 Pseudo density (10560.79967s) stopped
T12 >> 1462361343.28453898 Atomic density matrices (2793.52382s) started
T12 << 1462361346.83154297 Atomic density matrices (2797.07083s) stopped
T12 >> 1462361346.83157802 Multipole moments (10.78944s) started
T12 << 1462361346.84762192 Multipole moments (10.80548s) stopped
T12 >> 1462361346.84764910 Normalize (5.61692s) started
T12 << 1462361346.85551691 Normalize (5.62479s) stopped
T12 >> 1462361346.85556293 Mix (349.29048s) started
T12 << 1462361347.26610994 Mix (349.70102s) stopped
T12 << 1462361347.26617908 Density (13724.06865s) stopped
T12 >> 1462361347.26621294 Hamiltonian (41921.08163s) started
T12 >> 1462361347.26623106 vbar (22.11408s) started
T12 << 1462361347.28805089 vbar (22.13590s) stopped
T12 >> 1462361347.28812408 XC 3D grid (23444.56295s) started
T12 >> 1462361347.83325100 van der Waals (22641.29996s) started
T12 >> 1462361347.95010805 semilocal (4786.25204s) started
T12 << 1462361353.71285391 semilocal (4792.01478s) stopped
T12 >> 1462361353.78621602 redistribute (2429.64749s) started
T12 << 1462361354.80870795 redistribute (2430.66998s) stopped
T12 >> 1462361354.80875993 libvdwxc nonlocal (15267.43856s) started
T12 << 1462361373.40055895 libvdwxc nonlocal (15286.03035s) stopped
T12 >> 1462361373.40063190 redistribute (2430.67002s) started
T12 << 1462361375.62124109 redistribute (2432.89063s) stopped
T12 << 1462361375.62284088 van der Waals (22669.08955s) stopped
T12 << 1462361376.07060599 XC 3D grid (23473.34543s) stopped
T12 >> 1462361376.07065606 Poisson (4816.92357s) started
T12 << 1462361380.51390100 Poisson (4821.36681s) stopped
T12 >> 1462361380.51400208 Hartree integrate/restrict (309.26020s) started
T12 << 1462361380.55263591 Hartree integrate/restrict (309.29883s) stopped
T12 >> 1462361380.55272293 Hartree integrate/restrict (309.29889s) started
T12 << 1462361380.89101505 Hartree integrate/restrict (309.63718s) stopped
T12 >> 1462361380.89110208 Atomic (1980.48009s) started
T12 >> 1462361380.89372206 XC Correction (0.02724s) started
T12 << 1462361380.89376211 XC Correction (0.02728s) stopped
T12 << 1462361383.20586395 Atomic (1982.79485s) stopped
T12 >> 1462361383.20606399 Communicate (11347.42065s) started
T12 << 1462361403.33162093 Communicate (11367.54620s) stopped
T12 << 1462361403.33166289 Hamiltonian (41977.14708s) stopped
T12 >> 1462361403.33169007 LCAO eigensolver (58690.16479s) started
T12 >> 1462361403.33170390 Potential matrix (872.68079s) started
T12 << 1462361404.31387591 Potential matrix (873.66296s) stopped
T12 >> 1462361404.31395793 DistributedAtomicCorrection (374.71628s) started
T12 << 1462361404.76128197 DistributedAtomicCorrection (375.16361s) stopped
T12 >> 1462361404.76133108 Distribute overlap matrix (6909.84443s) started
T12 >> 1462361404.76136708 blocked summation (3864.55952s) started
T12 << 1462361409.52911806 blocked summation (3869.32727s) stopped
T12 >> 1462361409.53919506 Scalapack redistribute (3036.51521s) started
T12 << 1462361413.20668411 Scalapack redistribute (3040.18270s) stopped
T12 << 1462361413.20677900 Distribute overlap matrix (6918.28988s) stopped
T12 >> 1462361413.21176600 Blacs Orbital Layouts (48944.55617s) started
T12 >> 1462361413.22075200 General diagonalize (48752.65216s) started
T12 << 1462361467.81159592 General diagonalize (48807.24300s) stopped
T12 >> 1462361467.81169391 Redistribute coefs (7.50907s) started
T12 << 1462361467.82049203 Redistribute coefs (7.51787s) stopped
T12 >> 1462361467.82054305 Send coefs to domains (176.21022s) started
T12 << 1462361468.05259609 Send coefs to domains (176.44227s) stopped
T12 << 1462361468.05308390 Blacs Orbital Layouts (48999.39749s) stopped
T12 >> 1462361468.05311489 Calculate projections (1583.96229s) started
T12 << 1462361469.79571891 Calculate projections (1585.70489s) stopped
T12 << 1462361469.79615307 LCAO eigensolver (58756.62925s) stopped
T12 >> 1462361472.93902493 Density (13724.06867s) started
T12 >> 1462361472.93904209 Pseudo density (10560.79972s) started
T12 >> 1462361472.94113493 Calculate density matrix (9912.28779s) started
T12 << 1462361484.89459610 Calculate density matrix (9924.24125s) stopped
T12 >> 1462361484.89465308 Construct density (631.76306s) started
T12 << 1462361485.67860198 Construct density (632.54701s) stopped
T12 >> 1462361485.69478106 Symmetrize density (0.07103s) started
T12 << 1462361485.69486403 Symmetrize density (0.07111s) stopped
T12 << 1462361485.69733810 Pseudo density (10573.55802s) stopped
T12 >> 1462361485.69740605 Atomic density matrices (2797.07085s) started
T12 << 1462361489.23967791 Atomic density matrices (2800.61313s) stopped
T12 >> 1462361489.23971510 Multipole moments (10.80550s) started
T12 << 1462361489.25657296 Multipole moments (10.82236s) stopped
T12 >> 1462361489.25661111 Normalize (5.62482s) started
T12 << 1462361489.26600099 Normalize (5.63421s) stopped
T12 >> 1462361489.26606393 Mix (349.70109s) started
T12 << 1462361489.66753507 Mix (350.10256s) stopped
T12 << 1462361489.66758895 Density (13740.79723s) stopped
T12 >> 1462361489.66761804 Hamiltonian (41977.14709s) started
T12 >> 1462361489.66763210 vbar (22.13594s) started
T12 << 1462361489.69905400 vbar (22.16736s) stopped
T12 >> 1462361489.69925690 XC 3D grid (23473.34547s) started
T12 >> 1462361490.17829204 van der Waals (22669.08960s) started
T12 >> 1462361490.29618192 semilocal (4792.01488s) started
T12 << 1462361496.10245204 semilocal (4797.82115s) stopped
T12 >> 1462361496.17993212 redistribute (2432.89067s) started
T12 << 1462361497.19216204 redistribute (2433.90290s) stopped
T12 >> 1462361497.19223404 libvdwxc nonlocal (15286.03041s) started
T12 << 1462361515.27593088 libvdwxc nonlocal (15304.11411s) stopped
T12 >> 1462361515.27600193 redistribute (2433.90296s) started
T12 << 1462361517.32823610 redistribute (2435.95519s) stopped
T12 << 1462361517.32975793 van der Waals (22696.24107s) stopped
T12 << 1462361517.76715493 XC 3D grid (23501.41337s) stopped
T12 >> 1462361517.76721692 Poisson (4821.36689s) started
T12 << 1462361531.17297602 Poisson (4834.77265s) stopped
T12 >> 1462361531.17313504 Hartree integrate/restrict (309.63722s) started
T12 << 1462361531.21515012 Hartree integrate/restrict (309.67924s) stopped
T12 >> 1462361531.21524096 Hartree integrate/restrict (309.67929s) started
T12 << 1462361531.56860495 Hartree integrate/restrict (310.03266s) stopped
T12 >> 1462361531.56869411 Atomic (1982.79488s) started
T12 >> 1462361531.57073903 XC Correction (0.02729s) started
T12 << 1462361531.57076693 XC Correction (0.02732s) stopped
T12 << 1462361533.88093305 Atomic (1985.10712s) stopped
T12 >> 1462361533.88112712 Communicate (11367.54623s) started
T12 << 1462361553.90515089 Communicate (11387.57026s) stopped
T12 << 1462361553.90523005 Hamiltonian (42041.38470s) stopped
T12 >> 1462361553.90525794 LCAO eigensolver (58756.62927s) started
T12 >> 1462361553.90527105 Potential matrix (873.66300s) started
T12 << 1462361554.88425708 Potential matrix (874.64199s) stopped
T12 >> 1462361554.88433790 DistributedAtomicCorrection (375.16365s) started
T12 << 1462361555.33369994 DistributedAtomicCorrection (375.61301s) stopped
T12 >> 1462361555.33374906 Distribute overlap matrix (6918.28989s) started
T12 >> 1462361555.33378506 blocked summation (3869.32730s) started
T12 << 1462361560.11954308 blocked summation (3874.11306s) stopped
T12 >> 1462361560.12960100 Scalapack redistribute (3040.18277s) started
T12 << 1462361563.74253106 Scalapack redistribute (3043.79570s) stopped
T12 << 1462361563.74262094 Distribute overlap matrix (6926.69877s) stopped
T12 >> 1462361563.74731708 Blacs Orbital Layouts (48999.39751s) started
T12 >> 1462361563.75576711 General diagonalize (48807.24309s) started
T12 << 1462361617.56814098 General diagonalize (48861.05546s) stopped
T12 >> 1462361617.56819510 Redistribute coefs (7.51791s) started
T12 << 1462361617.57716298 Redistribute coefs (7.52687s) stopped
T12 >> 1462361617.57723093 Send coefs to domains (176.44231s) started
T12 << 1462361617.71290112 Send coefs to domains (176.57798s) stopped
T12 << 1462361617.71325111 Blacs Orbital Layouts (49053.36344s) stopped
T12 >> 1462361617.71328211 Calculate projections (1585.70495s) started
T12 << 1462361619.45563698 Calculate projections (1587.44731s) stopped
T12 << 1462361619.45602393 LCAO eigensolver (58822.18003s) stopped
T12 >> 1462361622.59132695 Density (13740.79725s) started
T12 >> 1462361622.59134293 Pseudo density (10573.55807s) started
T12 >> 1462361622.59371710 Calculate density matrix (9924.24129s) started
T12 << 1462361634.73023796 Calculate density matrix (9936.37781s) stopped
T12 >> 1462361634.73029399 Construct density (632.54707s) started
T12 << 1462361635.51645303 Construct density (633.33323s) stopped
T12 >> 1462361635.53362298 Symmetrize density (0.07113s) started
T12 << 1462361635.53370190 Symmetrize density (0.07121s) stopped
T12 << 1462361635.53619695 Pseudo density (10586.50292s) stopped
T12 >> 1462361635.53626609 Atomic density matrices (2800.61316s) started
T12 << 1462361639.14456201 Atomic density matrices (2804.22145s) stopped
T12 >> 1462361639.14460206 Multipole moments (10.82238s) started
T12 << 1462361639.16137195 Multipole moments (10.83915s) stopped
T12 >> 1462361639.16141009 Normalize (5.63426s) started
T12 << 1462361639.17059398 Normalize (5.64344s) stopped
T12 >> 1462361639.17065310 Mix (350.10261s) started
T12 << 1462361639.59765196 Mix (350.52961s) stopped
T12 << 1462361639.59771204 Density (13757.80363s) stopped
T12 >> 1462361639.59774208 Hamiltonian (42041.38471s) started
T12 >> 1462361639.59775710 vbar (22.16748s) started
T12 << 1462361639.63295007 vbar (22.20267s) stopped
T12 >> 1462361639.63311410 XC 3D grid (23501.41342s) started
T12 >> 1462361640.12370801 van der Waals (22696.24111s) started
T12 >> 1462361640.23696899 semilocal (4797.82120s) started
T12 << 1462361646.03657889 semilocal (4803.62081s) stopped
T12 >> 1462361646.11349607 redistribute (2435.95524s) started
T12 << 1462361647.07942200 redistribute (2436.92117s) stopped
T12 >> 1462361647.07949209 libvdwxc nonlocal (15304.11416s) started
T12 << 1462361665.15297008 libvdwxc nonlocal (15322.18764s) stopped
T12 >> 1462361665.15303493 redistribute (2436.92122s) started
T12 << 1462361667.08855104 redistribute (2438.85674s) stopped
T12 << 1462361667.08966994 van der Waals (22723.20708s) stopped
T12 << 1462361667.54119205 XC 3D grid (23529.32150s) stopped
T12 >> 1462361667.54124403 Poisson (4834.77277s) started
T12 << 1462361671.91632199 Poisson (4839.14785s) stopped
T12 >> 1462361671.91644001 Hartree integrate/restrict (310.03270s) started
T12 << 1462361671.96693897 Hartree integrate/restrict (310.08320s) stopped
T12 >> 1462361671.96701789 Hartree integrate/restrict (310.08325s) started
T12 << 1462361672.29675007 Hartree integrate/restrict (310.41298s) stopped
T12 >> 1462361672.29685593 Atomic (1985.10714s) started
T12 >> 1462361672.29872799 XC Correction (0.02733s) started
T12 << 1462361672.29874992 XC Correction (0.02735s) stopped
T12 << 1462361674.61903906 Atomic (1987.42933s) stopped
T12 >> 1462361674.61922002 Communicate (11387.57029s) started
T12 << 1462361694.64822292 Communicate (11407.59929s) stopped
T12 << 1462361694.64826298 Hamiltonian (42096.43523s) stopped
T12 >> 1462361694.64828801 LCAO eigensolver (58822.18006s) started
T12 >> 1462361694.64830089 Potential matrix (874.64203s) started
T12 << 1462361695.63769507 Potential matrix (875.63143s) stopped
T12 >> 1462361695.63776588 DistributedAtomicCorrection (375.61305s) started
T12 << 1462361696.07390690 DistributedAtomicCorrection (376.04919s) stopped
T12 >> 1462361696.07395196 Distribute overlap matrix (6926.69878s) started
T12 >> 1462361696.07398009 blocked summation (3874.11312s) started
T12 << 1462361700.83898497 blocked summation (3878.87812s) stopped
T12 >> 1462361700.84894300 Scalapack redistribute (3043.79576s) started
T12 << 1462361704.50365090 Scalapack redistribute (3047.45047s) stopped
T12 << 1462361704.50372195 Distribute overlap matrix (6935.12855s) stopped
T12 >> 1462361704.50791597 Blacs Orbital Layouts (49053.36346s) started
T12 >> 1462361704.51672411 General diagonalize (48861.05551s) started
T12 << 1462361761.03411198 General diagonalize (48917.57290s) stopped
T12 >> 1462361761.03415799 Redistribute coefs (7.52693s) started
T12 << 1462361761.04251909 Redistribute coefs (7.53529s) stopped
T12 >> 1462361761.04256010 Send coefs to domains (176.57801s) started
T12 << 1462361761.44265795 Send coefs to domains (176.97811s) stopped
T12 << 1462361761.44322109 Blacs Orbital Layouts (49110.29877s) stopped
T12 >> 1462361761.44324899 Calculate projections (1587.44736s) started
T12 << 1462361763.17415094 Calculate projections (1589.17826s) stopped
T12 << 1462361763.17450309 LCAO eigensolver (58890.70627s) stopped
T12 >> 1462361766.34510493 Density (13757.80365s) started
T12 >> 1462361766.34511995 Pseudo density (10586.50298s) started
T12 >> 1462361766.34682202 Calculate density matrix (9936.37785s) started
T12 << 1462361778.25235009 Calculate density matrix (9948.28338s) stopped
T12 >> 1462361778.25242996 Construct density (633.33329s) started
T12 << 1462361779.03626394 Construct density (634.11712s) stopped
T12 >> 1462361779.05050993 Symmetrize density (0.07122s) started
T12 << 1462361779.05057502 Symmetrize density (0.07129s) stopped
T12 << 1462361779.05264401 Pseudo density (10599.21050s) stopped
T12 >> 1462361779.05270100 Atomic density matrices (2804.22148s) started
T12 << 1462361782.57265306 Atomic density matrices (2807.74143s) stopped
T12 >> 1462361782.57268596 Multipole moments (10.83916s) started
T12 << 1462361782.58952498 Multipole moments (10.85600s) stopped
T12 >> 1462361782.58955693 Normalize (5.64348s) started
T12 << 1462361782.59567690 Normalize (5.64960s) stopped
T12 >> 1462361782.59576607 Mix (350.52967s) started
T12 << 1462361783.00107193 Mix (350.93498s) stopped
T12 << 1462361783.00113201 Density (13774.45967s) stopped
T12 >> 1462361783.00115800 Hamiltonian (42096.43525s) started
T12 >> 1462361783.00117302 vbar (22.20277s) started
T12 << 1462361783.02113509 vbar (22.22273s) stopped
T12 >> 1462361783.02122903 XC 3D grid (23529.32154s) started
T12 >> 1462361783.53499293 van der Waals (22723.20710s) started
T12 >> 1462361783.64152908 semilocal (4803.62089s) started
T12 << 1462361789.40299892 semilocal (4809.38236s) stopped
T12 >> 1462361789.48591709 redistribute (2438.85678s) started
T12 << 1462361790.52353406 redistribute (2439.89440s) stopped
T12 >> 1462361790.52361298 libvdwxc nonlocal (15322.18769s) started
T12 << 1462361809.16110396 libvdwxc nonlocal (15340.82518s) stopped
T12 >> 1462361809.16117191 redistribute (2439.89445s) started
T12 << 1462361810.88092899 redistribute (2441.61421s) stopped
T12 << 1462361810.88191390 van der Waals (22750.55402s) stopped
T12 << 1462361811.33436108 XC 3D grid (23557.63467s) stopped
T12 >> 1462361811.33442211 Poisson (4839.14794s) started
T12 << 1462361817.36838388 Poisson (4845.18190s) stopped
T12 >> 1462361817.36848402 Hartree integrate/restrict (310.41304s) started
T12 << 1462361817.41920304 Hartree integrate/restrict (310.46376s) stopped
T12 >> 1462361817.41925597 Hartree integrate/restrict (310.46379s) started
T12 << 1462361817.80884194 Hartree integrate/restrict (310.85338s) stopped
T12 >> 1462361817.80893493 Atomic (1987.42935s) started
T12 >> 1462361817.81067300 XC Correction (0.02737s) started
T12 << 1462361817.81068802 XC Correction (0.02738s) stopped
T12 << 1462361820.16391110 Atomic (1989.78432s) stopped
T12 >> 1462361820.16408491 Communicate (11407.59932s) started
T12 << 1462361839.90299606 Communicate (11427.33823s) stopped
T12 << 1462361839.90303206 Hamiltonian (42153.33712s) stopped
T12 >> 1462361839.90305710 LCAO eigensolver (58890.70629s) started
T12 >> 1462361839.90306997 Potential matrix (875.63147s) started
T12 << 1462361840.88101506 Potential matrix (876.60942s) stopped
T12 >> 1462361840.88108611 DistributedAtomicCorrection (376.04923s) started
T12 << 1462361841.32213807 DistributedAtomicCorrection (376.49028s) stopped
T12 >> 1462361841.32219911 Distribute overlap matrix (6935.12856s) started
T12 >> 1462361841.32222104 blocked summation (3878.87815s) started
T12 << 1462361846.19350910 blocked summation (3883.74944s) stopped
T12 >> 1462361846.20326805 Scalapack redistribute (3047.45052s) started
T12 << 1462361849.72808003 Scalapack redistribute (3050.97533s) stopped
T12 << 1462361849.72815990 Distribute overlap matrix (6943.53452s) stopped
T12 >> 1462361849.73226810 Blacs Orbital Layouts (49110.29879s) started
T12 >> 1462361849.74089599 General diagonalize (48917.57293s) started
T12 << 1462361903.91117597 General diagonalize (48971.74321s) stopped
T12 >> 1462361903.91125202 Redistribute coefs (7.53532s) started
T12 << 1462361903.92038107 Redistribute coefs (7.54445s) stopped
T12 >> 1462361903.92043209 Send coefs to domains (176.97815s) started
T12 << 1462361904.03454089 Send coefs to domains (177.09225s) stopped
T12 << 1462361904.03500891 Blacs Orbital Layouts (49164.60153s) stopped
T12 >> 1462361904.03507495 Calculate projections (1589.17831s) started
T12 << 1462361905.77542591 Calculate projections (1590.91866s) stopped
T12 << 1462361905.77588511 LCAO eigensolver (58956.57912s) stopped
T12 >> 1462361908.90435290 Density (13774.45969s) started
T12 >> 1462361908.90436912 Pseudo density (10599.21055s) started
T12 >> 1462361908.90668011 Calculate density matrix (9948.28344s) started
T12 << 1462361921.42229891 Calculate density matrix (9960.79906s) stopped
T12 >> 1462361921.42235589 Construct density (634.11717s) started
T12 << 1462361922.20753503 Construct density (634.90235s) stopped
T12 >> 1462361922.22382998 Symmetrize density (0.07131s) started
T12 << 1462361922.22390699 Symmetrize density (0.07138s) stopped
T12 << 1462361922.22637010 Pseudo density (10612.53255s) stopped
T12 >> 1462361922.22643805 Atomic density matrices (2807.74146s) started
T12 << 1462361925.81766891 Atomic density matrices (2811.33269s) stopped
T12 >> 1462361925.81770611 Multipole moments (10.85602s) started
T12 << 1462361925.83391809 Multipole moments (10.87223s) stopped
T12 >> 1462361925.83395195 Normalize (5.64968s) started
T12 << 1462361925.84048200 Normalize (5.65621s) stopped
T12 >> 1462361925.84052610 Mix (350.93504s) started
T12 << 1462361926.27270508 Mix (351.36722s) stopped
T12 << 1462361926.27274799 Density (13791.82808s) stopped
T12 >> 1462361926.27277398 Hamiltonian (42153.33713s) started
T12 >> 1462361926.27278805 vbar (22.22278s) started
T12 << 1462361926.30845904 vbar (22.25845s) stopped
T12 >> 1462361926.30854297 XC 3D grid (23557.63472s) started
T12 >> 1462361926.84442711 van der Waals (22750.55404s) started
T12 >> 1462361926.95887089 semilocal (4809.38247s) started
T12 << 1462361932.72085810 semilocal (4815.14445s) stopped
T12 >> 1462361932.79565191 redistribute (2441.61426s) started
T12 << 1462361933.82867694 redistribute (2442.64729s) stopped
T12 >> 1462361933.82873988 libvdwxc nonlocal (15340.82523s) started
T12 << 1462361952.35907888 libvdwxc nonlocal (15359.35557s) stopped
T12 >> 1462361952.35916591 redistribute (2442.64733s) started
T12 << 1462361954.45080996 redistribute (2444.73897s) stopped
T12 << 1462361954.45194507 van der Waals (22778.16156s) stopped
T12 << 1462361954.91606092 XC 3D grid (23586.24224s) stopped
T12 >> 1462361954.91612291 Poisson (4845.18198s) started
T12 << 1462361960.90921211 Poisson (4851.17507s) stopped
T12 >> 1462361960.90938711 Hartree integrate/restrict (310.85343s) started
T12 << 1462361960.94959211 Hartree integrate/restrict (310.89364s) stopped
T12 >> 1462361960.94977999 Hartree integrate/restrict (310.89376s) started
T12 << 1462361961.41016102 Hartree integrate/restrict (311.35414s) stopped
T12 >> 1462361961.41027093 Atomic (1989.78435s) started
T12 >> 1462361961.41217995 XC Correction (0.02739s) started
T12 << 1462361961.41219592 XC Correction (0.02741s) stopped
T12 << 1462361963.75683188 Atomic (1992.13091s) stopped
T12 >> 1462361963.75702310 Communicate (11427.33825s) started
T12 << 1462361982.64929605 Communicate (11446.23053s) stopped
T12 << 1462361982.64933801 Hamiltonian (42209.71370s) stopped
T12 >> 1462361982.64936495 LCAO eigensolver (58956.57914s) started
T12 >> 1462361982.64937806 Potential matrix (876.60946s) started
T12 << 1462361983.63524389 Potential matrix (877.59532s) stopped
T12 >> 1462361983.63532495 DistributedAtomicCorrection (376.49032s) started
T12 << 1462361984.07667708 DistributedAtomicCorrection (376.93167s) stopped
T12 >> 1462361984.07674003 Distribute overlap matrix (6943.53453s) started
T12 >> 1462361984.07676411 blocked summation (3883.74947s) started
T12 << 1462361988.94198108 blocked summation (3888.61469s) stopped
T12 >> 1462361988.95120406 Scalapack redistribute (3050.97540s) started
T12 << 1462361992.51958895 Scalapack redistribute (3054.54378s) stopped
T12 << 1462361992.51964402 Distribute overlap matrix (6951.97744s) stopped
T12 >> 1462361992.52438903 Blacs Orbital Layouts (49164.60155s) started
T12 >> 1462361992.53340292 General diagonalize (48971.74328s) started
T12 << 1462362046.76072693 General diagonalize (49025.97060s) stopped
T12 >> 1462362046.76077509 Redistribute coefs (7.54449s) started
T12 << 1462362046.76944995 Redistribute coefs (7.55316s) stopped
T12 >> 1462362046.76954198 Send coefs to domains (177.09229s) started
T12 << 1462362046.89348412 Send coefs to domains (177.21623s) stopped
T12 << 1462362046.89398408 Blacs Orbital Layouts (49218.97114s) stopped
T12 >> 1462362046.89401603 Calculate projections (1590.91872s) started
T12 << 1462362048.62453103 Calculate projections (1592.64924s) stopped
T12 << 1462362048.62476611 LCAO eigensolver (59022.55454s) stopped
T12 >> 1462362051.76884508 Density (13791.82809s) started
T12 >> 1462362051.76886010 Pseudo density (10612.53260s) started
T12 >> 1462362051.77058697 Calculate density matrix (9960.79910s) started
T12 << 1462362063.99752498 Calculate density matrix (9973.02604s) stopped
T12 >> 1462362063.99757195 Construct density (634.90241s) started
T12 << 1462362064.77978802 Construct density (635.68463s) stopped
T12 >> 1462362064.79402900 Symmetrize density (0.07140s) started
T12 << 1462362064.79408503 Symmetrize density (0.07146s) stopped
T12 << 1462362064.79616809 Pseudo density (10625.55991s) stopped
T12 >> 1462362064.79622507 Atomic density matrices (2811.33272s) started
T12 << 1462362068.43979406 Atomic density matrices (2814.97629s) stopped
T12 >> 1462362068.43982697 Multipole moments (10.87225s) started
T12 << 1462362068.45656300 Multipole moments (10.88898s) stopped
T12 >> 1462362068.45659494 Normalize (5.65624s) started
T12 << 1462362068.46266007 Normalize (5.66230s) stopped
T12 >> 1462362068.46275806 Mix (351.36726s) started
T12 << 1462362068.93515801 Mix (351.83966s) stopped
T12 << 1462362068.93520808 Density (13808.99446s) stopped
T12 >> 1462362068.93523407 Hamiltonian (42209.71371s) started
T12 >> 1462362068.93524909 vbar (22.25850s) started
T12 << 1462362068.95498490 vbar (22.27823s) stopped
T12 >> 1462362068.95508504 XC 3D grid (23586.24229s) started
T12 >> 1462362069.47621989 van der Waals (22778.16160s) started
T12 >> 1462362069.58283591 semilocal (4815.14455s) started
T12 << 1462362075.37110090 semilocal (4820.93282s) stopped
T12 >> 1462362075.44840407 redistribute (2444.73904s) started
T12 << 1462362076.46441698 redistribute (2445.75505s) stopped
T12 >> 1462362076.46448302 libvdwxc nonlocal (15359.35563s) started
T12 << 1462362094.78537512 libvdwxc nonlocal (15377.67652s) stopped
T12 >> 1462362094.78544092 redistribute (2445.75510s) started
T12 << 1462362096.61213589 redistribute (2447.58180s) stopped
T12 << 1462362096.61336303 van der Waals (22805.29874s) stopped
T12 << 1462362097.06564999 XC 3D grid (23614.35286s) stopped
T12 >> 1462362097.06569290 Poisson (4851.17520s) started
T12 << 1462362102.82450104 Poisson (4856.93401s) stopped
T12 >> 1462362102.82460904 Hartree integrate/restrict (311.35420s) started
T12 << 1462362102.86973405 Hartree integrate/restrict (311.39933s) stopped
T12 >> 1462362102.86981106 Hartree integrate/restrict (311.39938s) started
T12 << 1462362103.21926808 Hartree integrate/restrict (311.74884s) stopped
T12 >> 1462362103.21934390 Atomic (1992.13093s) started
T12 >> 1462362103.22122693 XC Correction (0.02742s) started
T12 << 1462362103.22125506 XC Correction (0.02745s) stopped
T12 << 1462362105.62374496 Atomic (1994.53534s) stopped
T12 >> 1462362105.62390900 Communicate (11446.23055s) started
T12 << 1462362124.49269795 Communicate (11465.09934s) stopped
T12 << 1462362124.49273396 Hamiltonian (42265.27121s) stopped
T12 >> 1462362124.49275994 LCAO eigensolver (59022.55456s) started
T12 >> 1462362124.49277306 Potential matrix (877.59537s) started
T12 << 1462362125.47553492 Potential matrix (878.57813s) stopped
T12 >> 1462362125.47560596 DistributedAtomicCorrection (376.93171s) started
T12 << 1462362125.91914010 DistributedAtomicCorrection (377.37524s) stopped
T12 >> 1462362125.91920209 Distribute overlap matrix (6951.97745s) started
T12 >> 1462362125.91922307 blocked summation (3888.61472s) started
T12 << 1462362130.72365499 blocked summation (3893.41916s) stopped
T12 >> 1462362130.73320699 Scalapack redistribute (3054.54382s) started
T12 << 1462362134.36858106 Scalapack redistribute (3058.17919s) stopped
T12 << 1462362134.36868000 Distribute overlap matrix (6960.42693s) stopped
T12 >> 1462362134.37317896 Blacs Orbital Layouts (49218.97116s) started
T12 >> 1462362134.38196898 General diagonalize (49025.97064s) started
T12 << 1462362188.01024604 General diagonalize (49079.59891s) stopped
T12 >> 1462362188.01029897 Redistribute coefs (7.55324s) started
T12 << 1462362188.01964092 Redistribute coefs (7.56259s) stopped
T12 >> 1462362188.01968789 Send coefs to domains (177.21627s) started
T12 << 1462362188.32239509 Send coefs to domains (177.51897s) stopped
T12 << 1462362188.32285094 Blacs Orbital Layouts (49272.92084s) stopped
T12 >> 1462362188.32288504 Calculate projections (1592.64929s) started
T12 << 1462362190.05395389 Calculate projections (1594.38036s) stopped
T12 << 1462362190.05413699 LCAO eigensolver (59088.11594s) stopped
T12 >> 1462362193.19540405 Density (13808.99447s) started
T12 >> 1462362193.19541907 Pseudo density (10625.55996s) started
T12 >> 1462362193.19713807 Calculate density matrix (9973.02608s) started
T12 << 1462362205.53701711 Calculate density matrix (9985.36596s) stopped
T12 >> 1462362205.53706408 Construct density (635.68468s) started
T12 << 1462362206.32050204 Construct density (636.46811s) stopped
T12 >> 1462362206.33470392 Symmetrize density (0.07147s) started
T12 << 1462362206.33476090 Symmetrize density (0.07153s) stopped
T12 << 1462362206.33685493 Pseudo density (10638.70139s) stopped
T12 >> 1462362206.33691502 Atomic density matrices (2814.97631s) started
T12 << 1462362209.95571399 Atomic density matrices (2818.59511s) stopped
T12 >> 1462362209.95574689 Multipole moments (10.88900s) started
T12 << 1462362209.97250009 Multipole moments (10.90575s) stopped
T12 >> 1462362209.97253108 Normalize (5.66238s) started
T12 << 1462362209.97868109 Normalize (5.66853s) stopped
T12 >> 1462362209.97877192 Mix (351.83971s) started
T12 << 1462362210.44552207 Mix (352.30646s) stopped
T12 << 1462362210.44561195 Density (13826.24468s) stopped
T12 >> 1462362210.44564700 Hamiltonian (42265.27122s) started
T12 >> 1462362210.44566393 vbar (22.27829s) started
T12 << 1462362210.47240496 vbar (22.30503s) stopped
T12 >> 1462362210.47253799 XC 3D grid (23614.35289s) started
T12 >> 1462362210.98388696 van der Waals (22805.29878s) started
T12 >> 1462362211.09115601 semilocal (4820.93288s) started
T12 << 1462362216.90773106 semilocal (4826.74945s) stopped
T12 >> 1462362216.98287702 redistribute (2447.58185s) started
T12 << 1462362217.97086692 redistribute (2448.56984s) stopped
T12 >> 1462362217.97090912 libvdwxc nonlocal (15377.67658s) started
T12 << 1462362236.46611595 libvdwxc nonlocal (15396.17178s) stopped
T12 >> 1462362236.46617794 redistribute (2448.56988s) started
T12 << 1462362238.23018599 redistribute (2450.33388s) stopped
T12 << 1462362238.23132396 van der Waals (22832.54621s) stopped
T12 << 1462362238.68456697 XC 3D grid (23642.56492s) stopped
T12 >> 1462362238.68463707 Poisson (4856.93409s) started
T12 << 1462362243.19765401 Poisson (4861.44711s) stopped
T12 >> 1462362243.19777703 Hartree integrate/restrict (311.74887s) started
T12 << 1462362243.24972391 Hartree integrate/restrict (311.80082s) stopped
T12 >> 1462362243.24977207 Hartree integrate/restrict (311.80085s) started
T12 << 1462362243.55852103 Hartree integrate/restrict (312.10960s) stopped
T12 >> 1462362243.55861306 Atomic (1994.53536s) started
T12 >> 1462362243.56046009 XC Correction (0.02746s) started
T12 << 1462362243.56048393 XC Correction (0.02749s) stopped
T12 << 1462362245.90268207 Atomic (1996.87943s) stopped
T12 >> 1462362245.90283990 Communicate (11465.09937s) started
T12 << 1462362264.85975003 Communicate (11484.05628s) stopped
T12 << 1462362264.85978889 Hamiltonian (42319.68537s) stopped
T12 >> 1462362264.85981393 LCAO eigensolver (59088.11595s) started
T12 >> 1462362264.85982800 Potential matrix (878.57817s) started
T12 << 1462362265.83909798 Potential matrix (879.55744s) stopped
T12 >> 1462362265.83916903 DistributedAtomicCorrection (377.37528s) started
T12 << 1462362266.30884600 DistributedAtomicCorrection (377.84496s) stopped
T12 >> 1462362266.30890703 Distribute overlap matrix (6960.42694s) started
T12 >> 1462362266.30895710 blocked summation (3893.41920s) started
T12 << 1462362271.11005592 blocked summation (3898.22030s) stopped
T12 >> 1462362271.11979103 Scalapack redistribute (3058.17925s) started
T12 << 1462362274.80396104 Scalapack redistribute (3061.86342s) stopped
T12 << 1462362274.80405903 Distribute overlap matrix (6968.92209s) stopped
T12 >> 1462362274.80810905 Blacs Orbital Layouts (49272.92086s) started
T12 >> 1462362274.81651592 General diagonalize (49079.59896s) started
T12 << 1462362330.42407489 General diagonalize (49135.20652s) stopped
T12 >> 1462362330.42416906 Redistribute coefs (7.56262s) started
T12 << 1462362330.43318605 Redistribute coefs (7.57164s) stopped
T12 >> 1462362330.43323588 Send coefs to domains (177.51901s) started
T12 << 1462362330.59698105 Send coefs to domains (177.68276s) stopped
T12 << 1462362330.59730911 Blacs Orbital Layouts (49328.71006s) stopped
T12 >> 1462362330.59734201 Calculate projections (1594.38041s) started
T12 << 1462362332.32776189 Calculate projections (1596.11083s) stopped
T12 << 1462362332.32795095 LCAO eigensolver (59155.58409s) stopped
T12 >> 1462362335.49759793 Density (13826.24469s) started
T12 >> 1462362335.49761295 Pseudo density (10638.70144s) started
T12 >> 1462362335.49942899 Calculate density matrix (9985.36599s) started
T12 << 1462362347.35639310 Calculate density matrix (9997.22295s) stopped
T12 >> 1462362347.35644197 Construct density (636.46816s) started
T12 << 1462362348.13902593 Construct density (637.25075s) stopped
T12 >> 1462362348.15308595 Symmetrize density (0.07155s) started
T12 << 1462362348.15314794 Symmetrize density (0.07161s) stopped
T12 << 1462362348.15522003 Pseudo density (10651.35905s) stopped
T12 >> 1462362348.15527606 Atomic density matrices (2818.59513s) started
T12 << 1462362351.81857896 Atomic density matrices (2822.25844s) stopped
T12 >> 1462362351.81861305 Multipole moments (10.90577s) started
T12 << 1462362351.83537102 Multipole moments (10.92253s) stopped
T12 >> 1462362351.83540106 Normalize (5.66860s) started
T12 << 1462362351.84233904 Normalize (5.67554s) stopped
T12 >> 1462362351.84242606 Mix (352.30654s) started
T12 << 1462362352.28664994 Mix (352.75077s) stopped
T12 << 1462362352.28672290 Density (13843.03382s) stopped
T12 >> 1462362352.28675294 Hamiltonian (42319.68538s) started
T12 >> 1462362352.28676796 vbar (22.30511s) started
T12 << 1462362352.31953406 vbar (22.33788s) stopped
T12 >> 1462362352.31965709 XC 3D grid (23642.56498s) started
T12 >> 1462362352.87358999 van der Waals (22832.54625s) started
T12 >> 1462362352.97858691 semilocal (4826.74953s) started
T12 << 1462362358.79422593 semilocal (4832.56517s) stopped
T12 >> 1462362358.86822200 redistribute (2450.33392s) started
T12 << 1462362359.85368299 redistribute (2451.31938s) stopped
T12 >> 1462362359.85375810 libvdwxc nonlocal (15396.17183s) started
T12 << 1462362378.06798196 libvdwxc nonlocal (15414.38605s) stopped
T12 >> 1462362378.06804705 redistribute (2451.31944s) started
T12 << 1462362379.83027291 redistribute (2453.08167s) stopped
T12 << 1462362379.83160305 van der Waals (22859.50426s) stopped
T12 << 1462362380.27849007 XC 3D grid (23670.52381s) stopped
T12 >> 1462362380.27852988 Poisson (4861.44720s) started
T12 << 1462362384.71384406 Poisson (4865.88252s) stopped
T12 >> 1462362384.71391296 Hartree integrate/restrict (312.10965s) started
T12 << 1462362384.76367903 Hartree integrate/restrict (312.15941s) stopped
T12 >> 1462362384.76372409 Hartree integrate/restrict (312.15944s) started
T12 << 1462362385.08029199 Hartree integrate/restrict (312.47601s) stopped
T12 >> 1462362385.08039188 Atomic (1996.87945s) started
T12 >> 1462362385.08214998 XC Correction (0.02750s) started
T12 << 1462362385.08216500 XC Correction (0.02752s) stopped
T12 << 1462362387.41918492 Atomic (1999.21824s) stopped
T12 >> 1462362387.41933393 Communicate (11484.05630s) started
T12 << 1462362406.32875204 Communicate (11502.96572s) stopped
T12 << 1462362406.32879210 Hamiltonian (42373.72742s) stopped
T12 >> 1462362406.32881808 LCAO eigensolver (59155.58411s) started
T12 >> 1462362406.32883096 Potential matrix (879.55749s) started
T12 << 1462362407.31605101 Potential matrix (880.54471s) stopped
T12 >> 1462362407.31612110 DistributedAtomicCorrection (377.84500s) started
T12 << 1462362407.75275302 DistributedAtomicCorrection (378.28163s) stopped
T12 >> 1462362407.75281501 Distribute overlap matrix (6968.92211s) started
T12 >> 1462362407.75283599 blocked summation (3898.22033s) started
T12 << 1462362412.62439108 blocked summation (3903.09189s) stopped
T12 >> 1462362412.63364911 Scalapack redistribute (3061.86348s) started
T12 << 1462362416.27533793 Scalapack redistribute (3065.50517s) stopped
T12 << 1462362416.27544498 Distribute overlap matrix (6977.44474s) stopped
T12 >> 1462362416.28004408 Blacs Orbital Layouts (49328.71008s) started
T12 >> 1462362416.28901196 General diagonalize (49135.20660s) started
T12 << 1462362471.85547590 General diagonalize (49190.77306s) stopped
T12 >> 1462362471.85555005 Redistribute coefs (7.57168s) started
T12 << 1462362471.86476493 Redistribute coefs (7.58089s) stopped
T12 >> 1462362471.86483788 Send coefs to domains (177.68279s) started
T12 << 1462362471.99532390 Send coefs to domains (177.81328s) stopped
T12 << 1462362471.99588799 Blacs Orbital Layouts (49384.42592s) stopped
T12 >> 1462362471.99592400 Calculate projections (1596.11088s) started
T12 << 1462362473.73725510 Calculate projections (1597.85221s) stopped
T12 << 1462362473.73748994 LCAO eigensolver (59222.99278s) stopped
T12 >> 1462362476.90136194 Density (13843.03383s) started
T12 >> 1462362476.90137792 Pseudo density (10651.35909s) started
T12 >> 1462362476.90382004 Calculate density matrix (9997.22299s) started
T12 << 1462362488.82905507 Calculate density matrix (10009.14823s) stopped
T12 >> 1462362488.82911205 Construct density (637.25080s) started
T12 << 1462362489.61591697 Construct density (638.03760s) stopped
T12 >> 1462362489.63251400 Symmetrize density (0.07163s) started
T12 << 1462362489.63258791 Symmetrize density (0.07170s) stopped
T12 << 1462362489.63507605 Pseudo density (10664.09279s) stopped
T12 >> 1462362489.63514400 Atomic density matrices (2822.25846s) started
T12 << 1462362493.16297197 Atomic density matrices (2825.78629s) stopped
T12 >> 1462362493.16301107 Multipole moments (10.92255s) started
T12 << 1462362493.17971802 Multipole moments (10.93925s) stopped
T12 >> 1462362493.17975211 Normalize (5.67561s) started
T12 << 1462362493.18741488 Normalize (5.68327s) stopped
T12 >> 1462362493.18745995 Mix (352.75084s) started
T12 << 1462362493.63633394 Mix (353.19971s) stopped
T12 << 1462362493.63640189 Density (13859.76887s) stopped
T12 >> 1462362493.63643289 Hamiltonian (42373.72743s) started
T12 >> 1462362493.63644910 vbar (22.33795s) started
T12 << 1462362493.66728997 vbar (22.36879s) stopped
T12 >> 1462362493.66743493 XC 3D grid (23670.52384s) started
T12 >> 1462362494.15401292 van der Waals (22859.50433s) started
T12 >> 1462362494.26902199 semilocal (4832.56526s) started
T12 << 1462362500.03818202 semilocal (4838.33442s) stopped
T12 >> 1462362500.11188197 redistribute (2453.08170s) started
T12 << 1462362501.13327503 redistribute (2454.10310s) stopped
T12 >> 1462362501.13333797 libvdwxc nonlocal (15414.38610s) started
T12 << 1462362519.21913290 libvdwxc nonlocal (15432.47190s) stopped
T12 >> 1462362519.21919703 redistribute (2454.10313s) started
T12 << 1462362521.24727798 redistribute (2456.13122s) stopped
T12 << 1462362521.24834704 van der Waals (22886.59866s) stopped
T12 << 1462362521.70301294 XC 3D grid (23698.55942s) stopped
T12 >> 1462362521.70308399 Poisson (4865.88257s) started
T12 << 1462362526.06301308 Poisson (4870.24250s) stopped
T12 >> 1462362526.06320095 Hartree integrate/restrict (312.47607s) started
T12 << 1462362526.10183811 Hartree integrate/restrict (312.51470s) stopped
T12 >> 1462362526.10198092 Hartree integrate/restrict (312.51480s) started
T12 << 1462362526.51338100 Hartree integrate/restrict (312.92620s) stopped
T12 >> 1462362526.51348901 Atomic (1999.21827s) started
T12 >> 1462362526.51540995 XC Correction (0.02753s) started
T12 << 1462362526.51545691 XC Correction (0.02757s) stopped
T12 << 1462362528.85454607 Atomic (2001.55932s) stopped
T12 >> 1462362528.85470700 Communicate (11502.96574s) started
T12 << 1462362547.77149010 Communicate (11521.88253s) stopped
T12 << 1462362547.77153397 Hamiltonian (42427.86253s) stopped
T12 >> 1462362547.77156210 LCAO eigensolver (59222.99280s) started
T12 >> 1462362547.77157593 Potential matrix (880.54475s) started
T12 << 1462362548.75963211 Potential matrix (881.53280s) stopped
T12 >> 1462362548.75971293 DistributedAtomicCorrection (378.28167s) started
T12 << 1462362549.20361805 DistributedAtomicCorrection (378.72558s) stopped
T12 >> 1462362549.20368099 Distribute overlap matrix (6977.44475s) started
T12 >> 1462362549.20370603 blocked summation (3903.09192s) started
T12 << 1462362554.05513191 blocked summation (3907.94335s) stopped
T12 >> 1462362554.06543398 Scalapack redistribute (3065.50523s) started
T12 << 1462362557.70346808 Scalapack redistribute (3069.14327s) stopped
T12 << 1462362557.70360208 Distribute overlap matrix (6985.94467s) stopped
T12 >> 1462362557.70832705 Blacs Orbital Layouts (49384.42594s) started
T12 >> 1462362557.71719599 General diagonalize (49190.77313s) started
T12 << 1462362615.35441494 General diagonalize (49248.41035s) stopped
T12 >> 1462362615.35447001 Redistribute coefs (7.58095s) started
T12 << 1462362615.36330199 Redistribute coefs (7.58978s) stopped
T12 >> 1462362615.36334896 Send coefs to domains (177.81331s) started
T12 << 1462362615.47549510 Send coefs to domains (177.92546s) stopped
T12 << 1462362615.47592306 Blacs Orbital Layouts (49442.19354s) stopped
T12 >> 1462362615.47595811 Calculate projections (1597.85227s) started
T12 << 1462362617.21760798 Calculate projections (1599.59392s) stopped
T12 << 1462362617.21800494 LCAO eigensolver (59292.43924s) stopped
T12 >> 1462362620.38449192 Density (13859.76889s) started
T12 >> 1462362620.38450789 Pseudo density (10664.09285s) started
T12 >> 1462362620.38714910 Calculate density matrix (10009.14827s) started
T12 << 1462362633.32034802 Calculate density matrix (10022.08147s) stopped
T12 >> 1462362633.32040501 Construct density (638.03766s) started
T12 << 1462362634.10504794 Construct density (638.82230s) stopped
T12 >> 1462362634.12215400 Symmetrize density (0.07172s) started
T12 << 1462362634.12222695 Symmetrize density (0.07179s) stopped
T12 << 1462362634.12468410 Pseudo density (10677.83302s) stopped
T12 >> 1462362634.12475109 Atomic density matrices (2825.78632s) started
T12 << 1462362637.69971299 Atomic density matrices (2829.36128s) stopped
T12 >> 1462362637.69975090 Multipole moments (10.93927s) started
T12 << 1462362637.71645999 Multipole moments (10.95598s) stopped
T12 >> 1462362637.71649504 Normalize (5.68330s) started
T12 << 1462362637.72326207 Normalize (5.69007s) stopped
T12 >> 1462362637.72330689 Mix (353.19978s) started
T12 << 1462362638.19734812 Mix (353.67382s) stopped
T12 << 1462362638.19740891 Density (13877.58181s) stopped
T12 >> 1462362638.19743705 Hamiltonian (42427.86255s) started
T12 >> 1462362638.19745302 vbar (22.36887s) started
T12 << 1462362638.22477293 vbar (22.39619s) stopped
T12 >> 1462362638.22498608 XC 3D grid (23698.55948s) started
T12 >> 1462362638.71958089 van der Waals (22886.59868s) started
T12 >> 1462362638.83330011 semilocal (4838.33448s) started
T12 << 1462362644.65262294 semilocal (4844.15380s) stopped
T12 >> 1462362644.72409606 redistribute (2456.13127s) started
T12 << 1462362645.69883704 redistribute (2457.10601s) stopped
T12 >> 1462362645.69893289 libvdwxc nonlocal (15432.47195s) started
T12 << 1462362664.28990102 libvdwxc nonlocal (15451.06292s) stopped
T12 >> 1462362664.28998590 redistribute (2457.10608s) started
T12 << 1462362666.33558893 redistribute (2459.15168s) stopped
T12 << 1462362666.33655906 van der Waals (22914.21566s) stopped
T12 << 1462362666.78939104 XC 3D grid (23727.12389s) stopped
T12 >> 1462362666.78945303 Poisson (4870.24264s) started
T12 << 1462362669.81823707 Poisson (4873.27142s) stopped
T12 >> 1462362669.81842494 Hartree integrate/restrict (312.92625s) started
T12 << 1462362669.85227990 Hartree integrate/restrict (312.96011s) stopped
T12 >> 1462362669.85249305 Hartree integrate/restrict (312.96025s) started
T12 << 1462362670.19941306 Hartree integrate/restrict (313.30717s) stopped
T12 >> 1462362670.19950795 Atomic (2001.55935s) started
T12 >> 1462362670.20131707 XC Correction (0.02759s) started
T12 << 1462362670.20133090 XC Correction (0.02760s) stopped
T12 << 1462362672.53917694 Atomic (2003.89902s) stopped
T12 >> 1462362672.53932500 Communicate (11521.88255s) started
T12 << 1462362691.60380507 Communicate (11540.94703s) stopped
T12 << 1462362691.60383892 Hamiltonian (42481.26895s) stopped
T12 >> 1462362691.60386205 LCAO eigensolver (59292.43926s) started
T12 >> 1462362691.60387492 Potential matrix (881.53285s) started
T12 << 1462362692.59012604 Potential matrix (882.51910s) stopped
T12 >> 1462362692.59020805 DistributedAtomicCorrection (378.72561s) started
T12 << 1462362693.04042292 DistributedAtomicCorrection (379.17583s) stopped
T12 >> 1462362693.04048705 Distribute overlap matrix (6985.94468s) started
T12 >> 1462362693.04051089 blocked summation (3907.94340s) started
T12 << 1462362697.84756494 blocked summation (3912.75045s) stopped
T12 >> 1462362697.85736203 Scalapack redistribute (3069.14334s) started
T12 << 1462362701.47355103 Scalapack redistribute (3072.75953s) stopped
T12 << 1462362701.47363305 Distribute overlap matrix (6994.37783s) stopped
T12 >> 1462362701.47815800 Blacs Orbital Layouts (49442.19356s) started
T12 >> 1462362701.48710704 General diagonalize (49248.41039s) started
T12 << 1462362754.63322306 General diagonalize (49301.55651s) stopped
T12 >> 1462362754.63330698 Redistribute coefs (7.58982s) started
T12 << 1462362754.64240789 Redistribute coefs (7.59892s) stopped
T12 >> 1462362754.64247799 Send coefs to domains (177.92550s) started
T12 << 1462362754.81331110 Send coefs to domains (178.09633s) stopped
T12 << 1462362754.81368589 Blacs Orbital Layouts (49495.52908s) stopped
T12 >> 1462362754.81371999 Calculate projections (1599.59398s) started
T12 << 1462362756.55469203 Calculate projections (1601.33495s) stopped
T12 << 1462362756.55507994 LCAO eigensolver (59357.39048s) stopped
T12 << 1462362759.67693090 SCF-cycle (118589.33580s) stopped
T12 >> 1462362762.05554008 Force calculation (5723.53675s) started
T12 >> 1462362762.05562496 LCAO forces (5661.83787s) started
T12 >> 1462362762.05601692 Initial (0.00163s) started
T12 << 1462362762.05602789 Initial (0.00164s) stopped
T12 >> 1462362762.06297588 Get density matrix (2933.09240s) started
T12 << 1462362771.22032309 Get density matrix (2942.24975s) stopped
T12 >> 1462362771.22037196 Potential (444.48634s) started
T12 << 1462362777.48741603 Potential (450.75339s) stopped
T12 >> 1462362777.48748112 Get density matrix (2942.24979s) started
T12 << 1462362809.60196805 Get density matrix (2974.36427s) stopped
T12 >> 1462362809.60203505 Prepare TCI loop (159.35420s) started
T12 >> 1462362809.60257792 Get neighbors (141.05143s) started
T12 << 1462362811.66650796 Get neighbors (143.11536s) stopped
T12 >> 1462362811.66698003 broadcast dH (18.21620s) started
T12 << 1462362812.06541991 broadcast dH (18.61464s) stopped
T12 << 1462362812.06546903 Prepare TCI loop (161.81764s) stopped
T12 >> 1462362812.06548905 Not so complicated loop (8.62410s) started
T12 << 1462362812.19165397 Not so complicated loop (8.75026s) stopped
T12 >> 1462362812.31942606 Complicated loop (1372.64948s) started
T12 << 1462362832.47646403 Complicated loop (1392.80652s) stopped
T12 >> 1462362832.47885895 Wait for sum (734.26146s) started
T12 << 1462362843.85115099 Wait for sum (745.63375s) stopped
T12 << 1462362843.85119510 LCAO forces (5743.63344s) stopped
T12 << 1462362844.76446390 Force calculation (5806.24567s) stopped
T12 >> 1462362844.78252196 Initialization (9626.94827s) started
T12 << 1462362844.78269601 Initialization (9626.94845s) stopped
T12 >> 1462362844.78292608 Initialization (9626.94847s) started
T12 << 1462362844.78306198 Initialization (9626.94860s) stopped
T12 >> 1462362844.78320098 Initialization (9626.94862s) started
T12 << 1462362844.78333402 Initialization (9626.94875s) stopped
T12 >> 1462362865.15788198 Initialization (9626.94878s) started
T12 >> 1462362865.19903302 Basic WFS set positions (6.50189s) started
T12 >> 1462362865.19905901 Redistribute (0.02071s) started
T12 << 1462362865.19919300 Redistribute (0.02085s) stopped
T12 << 1462362865.28874493 Basic WFS set positions (6.59160s) stopped
T12 >> 1462362865.28877401 Basis functions set positions (137.61340s) started
T12 << 1462362867.38002896 Basis functions set positions (139.70465s) stopped
T12 >> 1462362867.38066101 TCI: Calculate S, T, P (1130.76465s) started
T12 << 1462362883.07887411 TCI: Calculate S, T, P (1146.46286s) stopped
T12 >> 1462362883.07893491 blocked summation (1948.62797s) started
T12 << 1462362917.51573801 blocked summation (1983.06478s) stopped
T12 >> 1462362917.52460194 Scalapack redistribute (688.61074s) started
T12 << 1462362927.31604505 Scalapack redistribute (698.40219s) stopped
T12 >> 1462362927.31711006 blocked summation (1983.06483s) started
T12 << 1462362928.35535002 blocked summation (1984.10307s) stopped
T12 >> 1462362928.36524200 Scalapack redistribute (698.40223s) started
T12 << 1462362928.57923698 Scalapack redistribute (698.61622s) stopped
T12 >> 1462362928.58152795 Redistribute (0.13237s) started
T12 << 1462362928.58206010 Redistribute (0.13290s) stopped
T12 >> 1462362930.40721107 Redistribute (0.13292s) started
T12 << 1462362930.40768194 Redistribute (0.13339s) stopped
T12 >> 1462362930.42609096 LCAO WFS Initialize (5571.55332s) started
T12 >> 1462362930.42613101 Density initialize from wavefunctions (1051.09453s) started
T12 >> 1462362930.43076706 Calculate density matrix (723.66555s) started
T12 << 1462362940.26513290 Calculate density matrix (733.49991s) stopped
T12 >> 1462362940.26518989 Construct density (55.66146s) started
T12 << 1462362941.05397797 Construct density (56.45025s) stopped
T12 >> 1462362941.06784701 Symmetrize density (0.00607s) started
T12 << 1462362941.06791401 Symmetrize density (0.00614s) stopped
T12 << 1462362944.96194601 Density initialize from wavefunctions (1065.63034s) stopped
T12 >> 1462362944.96233010 Hamiltonian (4519.52157s) started
T12 >> 1462362944.96235204 vbar (2.04036s) started
T12 << 1462362944.98895407 vbar (2.06696s) stopped
T12 >> 1462362944.98913288 XC 3D grid (2104.40476s) started
T12 >> 1462362945.48928905 van der Waals (2032.73976s) started
T12 >> 1462362945.59975410 semilocal (428.49296s) started
T12 << 1462362951.43188500 semilocal (434.32509s) stopped
T12 >> 1462362951.50998306 redistribute (227.47384s) started
T12 << 1462362952.46185803 redistribute (228.42571s) stopped
T12 >> 1462362952.46191692 libvdwxc nonlocal (1362.60451s) started
T12 << 1462362970.77223301 libvdwxc nonlocal (1380.91483s) stopped
T12 >> 1462362970.77230906 redistribute (228.42575s) started
T12 << 1462362972.76828289 redistribute (230.42173s) stopped
T12 << 1462362972.76940393 van der Waals (2060.01987s) stopped
T12 << 1462362973.23433495 XC 3D grid (2132.64997s) stopped
T12 >> 1462362973.23440194 Poisson (1040.28513s) started
T12 << 1462362987.65407300 Poisson (1054.70480s) stopped
T12 >> 1462362987.65427399 Hartree integrate/restrict (27.71356s) started
T12 << 1462362987.69653392 Hartree integrate/restrict (27.75582s) stopped
T12 >> 1462362987.69673300 Hartree integrate/restrict (27.75595s) started
T12 << 1462362988.03031898 Hartree integrate/restrict (28.08954s) stopped
T12 >> 1462362988.03042507 Atomic (175.33631s) started
T12 >> 1462362988.03258896 XC Correction (0.00264s) started
T12 << 1462362988.03260398 XC Correction (0.00266s) stopped
T12 << 1462362990.36405611 Atomic (177.66994s) stopped
T12 >> 1462362990.36425090 Communicate (1169.68671s) started
T12 << 1462363010.62659597 Communicate (1189.94905s) stopped
T12 << 1462363010.62664104 Hamiltonian (4585.18589s) stopped
T12 << 1462363010.62665606 LCAO WFS Initialize (5651.75388s) stopped
T12 << 1462363010.63920498 Initialization (9772.43010s) stopped
T12 >> 1462363010.66592693 SCF-cycle (118589.33582s) started
T12 >> 1462363010.66596603 LCAO eigensolver (59357.39050s) started
T12 >> 1462363010.66597891 Potential matrix (882.51915s) started
T12 << 1462363011.64018703 Potential matrix (883.49335s) stopped
T12 >> 1462363011.64026809 DistributedAtomicCorrection (379.17587s) started
T12 << 1462363012.09722090 DistributedAtomicCorrection (379.63282s) stopped
T12 >> 1462363012.09726906 Distribute overlap matrix (6994.37784s) started
T12 >> 1462363012.09731102 blocked summation (3912.75049s) started
T12 << 1462363016.95812392 blocked summation (3917.61130s) stopped
T12 >> 1462363016.96748900 Scalapack redistribute (3072.75957s) started
T12 << 1462363020.72786188 Scalapack redistribute (3076.51994s) stopped
T12 << 1462363020.72794390 Distribute overlap matrix (7003.00852s) stopped
T12 >> 1462363020.73259997 Blacs Orbital Layouts (49495.52910s) started
T12 >> 1462363020.74177003 General diagonalize (49301.55658s) started
T12 << 1462363077.11206007 General diagonalize (49357.92687s) stopped
T12 >> 1462363077.11210489 Redistribute coefs (7.59898s) started
T12 << 1462363077.12115407 Redistribute coefs (7.60802s) stopped
T12 >> 1462363077.12122202 Send coefs to domains (178.09638s) started
T12 << 1462363077.21562910 Send coefs to domains (178.19079s) stopped
T12 << 1462363077.21617603 Blacs Orbital Layouts (49552.01268s) stopped
T12 >> 1462363077.21620393 Calculate projections (1601.33501s) started
T12 << 1462363078.94678998 Calculate projections (1603.06559s) stopped
T12 << 1462363078.94734192 LCAO eigensolver (59425.67187s) stopped
T12 >> 1462363082.08497810 Density (13877.58182s) started
T12 >> 1462363082.08499289 Pseudo density (10677.83307s) started
T12 >> 1462363082.08828902 Calculate density matrix (10022.08151s) started
T12 << 1462363093.97416997 Calculate density matrix (10033.96739s) stopped
T12 >> 1462363093.97421908 Construct density (638.82236s) started
T12 << 1462363094.75999999 Construct density (639.60814s) stopped
T12 >> 1462363094.77586389 Symmetrize density (0.07181s) started
T12 << 1462363094.77592802 Symmetrize density (0.07187s) stopped
T12 << 1462363094.77836895 Pseudo density (10690.52645s) stopped
T12 >> 1462363094.77842593 Atomic density matrices (2829.36131s) started
T12 << 1462363098.35216188 Atomic density matrices (2832.93505s) stopped
T12 >> 1462363098.35219502 Multipole moments (10.95600s) started
T12 << 1462363098.36932111 Multipole moments (10.97312s) stopped
T12 >> 1462363098.36934495 Normalize (5.69010s) started
T12 << 1462363098.37581801 Normalize (5.69657s) stopped
T12 >> 1462363098.37586093 Mix (353.67388s) started
T12 << 1462363098.75816607 Mix (354.05618s) stopped
T12 << 1462363098.75822210 Density (13894.25506s) stopped
T12 >> 1462363098.75824904 Hamiltonian (42481.26896s) started
T12 >> 1462363098.75826406 vbar (22.39630s) started
T12 << 1462363098.78534102 vbar (22.42338s) stopped
T12 >> 1462363098.78546500 XC 3D grid (23727.12394s) started
T12 >> 1462363099.28593707 van der Waals (22914.21569s) started
T12 >> 1462363099.39803195 semilocal (4844.15388s) started
T12 << 1462363105.14014602 semilocal (4849.89599s) stopped
T12 >> 1462363105.21624994 redistribute (2459.15175s) started
T12 << 1462363106.28191900 redistribute (2460.21742s) stopped
T12 >> 1462363106.28196406 libvdwxc nonlocal (15451.06298s) started
T12 << 1462363124.79406810 libvdwxc nonlocal (15469.57508s) stopped
T12 >> 1462363124.79411006 redistribute (2460.21745s) started
T12 << 1462363126.61578107 redistribute (2462.03912s) stopped
T12 << 1462363126.61690092 van der Waals (22941.54665s) stopped
T12 << 1462363127.09208012 XC 3D grid (23755.43055s) stopped
T12 >> 1462363127.09212208 Poisson (4873.27156s) started
T12 << 1462363135.74494910 Poisson (4881.92439s) stopped
T12 >> 1462363135.74506497 Hartree integrate/restrict (313.30722s) started
T12 << 1462363135.78851008 Hartree integrate/restrict (313.35066s) stopped
T12 >> 1462363135.78855801 Hartree integrate/restrict (313.35069s) started
T12 << 1462363136.14629102 Hartree integrate/restrict (313.70843s) stopped
T12 >> 1462363136.14638710 Atomic (2003.89904s) started
T12 >> 1462363136.14830208 XC Correction (0.02761s) started
T12 << 1462363136.14831805 XC Correction (0.02763s) stopped
T12 << 1462363138.46453309 Atomic (2006.21719s) stopped
T12 >> 1462363138.46471000 Communicate (11540.94706s) started
T12 << 1462363158.74398494 Communicate (11561.22633s) stopped
T12 << 1462363158.74402189 Hamiltonian (42541.25473s) stopped
T12 >> 1462363158.74404812 LCAO eigensolver (59425.67190s) started
T12 >> 1462363158.74406004 Potential matrix (883.49340s) started
T12 << 1462363159.72131205 Potential matrix (884.47065s) stopped
T12 >> 1462363159.72138596 DistributedAtomicCorrection (379.63286s) started
T12 << 1462363160.16669893 DistributedAtomicCorrection (380.07817s) stopped
T12 >> 1462363160.16674709 Distribute overlap matrix (7003.00853s) started
T12 >> 1462363160.16677690 blocked summation (3917.61136s) started
T12 << 1462363165.03397393 blocked summation (3922.47856s) stopped
T12 >> 1462363165.04432797 Scalapack redistribute (3076.51998s) started
T12 << 1462363168.84461999 Scalapack redistribute (3080.32027s) stopped
T12 << 1462363168.84473205 Distribute overlap matrix (7011.68651s) stopped
T12 >> 1462363168.84940791 Blacs Orbital Layouts (49552.01270s) started
T12 >> 1462363168.85819507 General diagonalize (49357.92690s) started
T12 << 1462363224.50811291 General diagonalize (49413.57682s) stopped
T12 >> 1462363224.50818205 Redistribute coefs (7.60808s) started
T12 << 1462363224.51734304 Redistribute coefs (7.61724s) stopped
T12 >> 1462363224.51741290 Send coefs to domains (178.19082s) started
T12 << 1462363224.65158105 Send coefs to domains (178.32499s) stopped
T12 << 1462363224.65204501 Blacs Orbital Layouts (49607.81533s) stopped
T12 >> 1462363224.65207505 Calculate projections (1603.06564s) started
T12 << 1462363226.39455509 Calculate projections (1604.80812s) stopped
T12 << 1462363226.39503694 LCAO eigensolver (59493.32288s) stopped
T12 >> 1462363229.53642201 Density (13894.25508s) started
T12 >> 1462363229.53643703 Pseudo density (10690.52649s) started
T12 >> 1462363229.53917694 Calculate density matrix (10033.96742s) started
T12 << 1462363241.58895397 Calculate density matrix (10046.01720s) stopped
T12 >> 1462363241.58901000 Construct density (639.60819s) started
T12 << 1462363242.37831211 Construct density (640.39749s) stopped
T12 >> 1462363242.39310503 Symmetrize density (0.07189s) started
T12 << 1462363242.39318109 Symmetrize density (0.07197s) stopped
T12 << 1462363242.39529395 Pseudo density (10703.38535s) stopped
T12 >> 1462363242.39536405 Atomic density matrices (2832.93507s) started
T12 << 1462363245.97128296 Atomic density matrices (2836.51099s) stopped
T12 >> 1462363245.97132111 Multipole moments (10.97314s) started
T12 << 1462363245.98835802 Multipole moments (10.99018s) stopped
T12 >> 1462363245.98839307 Normalize (5.69661s) started
T12 << 1462363245.99457908 Normalize (5.70279s) stopped
T12 >> 1462363245.99467802 Mix (354.05624s) started
T12 << 1462363246.39455509 Mix (354.45611s) stopped
T12 << 1462363246.39461899 Density (13911.11327s) stopped
T12 >> 1462363246.39464903 Hamiltonian (42541.25475s) started
T12 >> 1462363246.39466596 vbar (22.42345s) started
T12 << 1462363246.42081189 vbar (22.44959s) stopped
T12 >> 1462363246.42091703 XC 3D grid (23755.43058s) started
T12 >> 1462363246.91703701 van der Waals (22941.54667s) started
T12 >> 1462363247.02711201 semilocal (4849.89610s) started
T12 << 1462363252.84238601 semilocal (4855.71137s) stopped
T12 >> 1462363252.91859698 redistribute (2462.03918s) started
T12 << 1462363253.88121295 redistribute (2463.00180s) stopped
T12 >> 1462363253.88126397 libvdwxc nonlocal (15469.57511s) started
T12 << 1462363271.91799498 libvdwxc nonlocal (15487.61184s) stopped
T12 >> 1462363271.91807199 redistribute (2463.00183s) started
T12 << 1462363273.87237310 redistribute (2464.95614s) stopped
T12 << 1462363273.87355494 van der Waals (22968.50319s) stopped
T12 << 1462363274.33741307 XC 3D grid (23783.34708s) stopped
T12 >> 1462363274.33746290 Poisson (4881.92448s) started
T12 << 1462363282.88234711 Poisson (4890.46936s) stopped
T12 >> 1462363282.88244390 Hartree integrate/restrict (313.70847s) started
T12 << 1462363282.92234492 Hartree integrate/restrict (313.74837s) stopped
T12 >> 1462363282.92242002 Hartree integrate/restrict (313.74842s) started
T12 << 1462363283.25394893 Hartree integrate/restrict (314.07995s) stopped
T12 >> 1462363283.25414300 Atomic (2006.21721s) started
T12 >> 1462363283.25696611 XC Correction (0.02766s) started
T12 << 1462363283.25700808 XC Correction (0.02771s) stopped
T12 << 1462363285.57347107 Atomic (2008.53654s) stopped
T12 >> 1462363285.57367206 Communicate (11561.22636s) started
T12 << 1462363305.83949590 Communicate (11581.49218s) stopped
T12 << 1462363305.83957911 Hamiltonian (42600.69968s) stopped
T12 >> 1462363305.83960700 LCAO eigensolver (59493.32290s) started
T12 >> 1462363305.83962011 Potential matrix (884.47070s) started
T12 << 1462363306.82065201 Potential matrix (885.45173s) stopped
T12 >> 1462363306.82073307 DistributedAtomicCorrection (380.07821s) started
T12 << 1462363307.26989198 DistributedAtomicCorrection (380.52737s) stopped
T12 >> 1462363307.26993895 Distribute overlap matrix (7011.68653s) started
T12 >> 1462363307.26997590 blocked summation (3922.47861s) started
T12 << 1462363312.14230704 blocked summation (3927.35094s) stopped
T12 >> 1462363312.15204310 Scalapack redistribute (3080.32034s) started
T12 << 1462363315.83422804 Scalapack redistribute (3084.00253s) stopped
T12 << 1462363315.83434892 Distribute overlap matrix (7020.25094s) stopped
T12 >> 1462363315.83846688 Blacs Orbital Layouts (49607.81535s) started
T12 >> 1462363315.84742999 General diagonalize (49413.57688s) started
T12 << 1462363371.54795003 General diagonalize (49469.27740s) stopped
T12 >> 1462363371.54802608 Redistribute coefs (7.61730s) started
T12 << 1462363371.55733895 Redistribute coefs (7.62661s) stopped
T12 >> 1462363371.55742407 Send coefs to domains (178.32503s) started
T12 << 1462363371.80956197 Send coefs to domains (178.57716s) stopped
T12 << 1462363371.81015396 Blacs Orbital Layouts (49663.78704s) stopped
T12 >> 1462363371.81018496 Calculate projections (1604.80817s) started
T12 << 1462363373.55156994 Calculate projections (1606.54956s) stopped
T12 << 1462363373.55197406 LCAO eigensolver (59561.03527s) stopped
T12 >> 1462363376.70724607 Density (13911.11329s) started
T12 >> 1462363376.70726204 Pseudo density (10703.38541s) started
T12 >> 1462363376.70978093 Calculate density matrix (10046.01723s) started
T12 << 1462363389.20206594 Calculate density matrix (10058.50952s) stopped
T12 >> 1462363389.20212293 Construct density (640.39755s) started
T12 << 1462363389.98954892 Construct density (641.18498s) stopped
T12 >> 1462363390.00372791 Symmetrize density (0.07199s) started
T12 << 1462363390.00379992 Symmetrize density (0.07206s) stopped
T12 << 1462363390.00588894 Pseudo density (10716.68403s) stopped
T12 >> 1462363390.00595689 Atomic density matrices (2836.51102s) started
T12 << 1462363393.60248303 Atomic density matrices (2840.10755s) stopped
T12 >> 1462363393.60251808 Multipole moments (10.99019s) started
T12 << 1462363393.61962390 Multipole moments (11.00730s) stopped
T12 >> 1462363393.61965799 Normalize (5.70287s) started
T12 << 1462363393.62582207 Normalize (5.70903s) stopped
T12 >> 1462363393.62591410 Mix (354.45618s) started
T12 << 1462363394.06190395 Mix (354.89217s) stopped
T12 << 1462363394.06193590 Density (13928.46798s) stopped
T12 >> 1462363394.06196189 Hamiltonian (42600.69969s) started
T12 >> 1462363394.06197596 vbar (22.44965s) started
T12 << 1462363394.09581995 vbar (22.48350s) stopped
T12 >> 1462363394.09592199 XC 3D grid (23783.34712s) started
T12 >> 1462363394.57685900 van der Waals (22968.50322s) started
T12 >> 1462363394.69087696 semilocal (4855.71144s) started
T12 << 1462363400.43847799 semilocal (4861.45904s) stopped
T12 >> 1462363400.50962710 redistribute (2464.95620s) started
T12 << 1462363401.56732202 redistribute (2466.01389s) stopped
T12 >> 1462363401.56736398 libvdwxc nonlocal (15487.61190s) started
T12 << 1462363420.12686300 libvdwxc nonlocal (15506.17140s) stopped
T12 >> 1462363420.12692904 redistribute (2466.01393s) started
T12 << 1462363421.88078809 redistribute (2467.76779s) stopped
T12 << 1462363421.88162088 van der Waals (22995.80798s) stopped
T12 << 1462363422.35685611 XC 3D grid (23811.60805s) stopped
T12 >> 1462363422.35691810 Poisson (4890.46943s) started
T12 << 1462363435.24005103 Poisson (4903.35257s) stopped
T12 >> 1462363435.24019504 Hartree integrate/restrict (314.08006s) started
T12 << 1462363435.28471398 Hartree integrate/restrict (314.12458s) stopped
T12 >> 1462363435.28480697 Hartree integrate/restrict (314.12464s) started
T12 << 1462363435.64722204 Hartree integrate/restrict (314.48706s) stopped
T12 >> 1462363435.64732599 Atomic (2008.53657s) started
T12 >> 1462363435.64920211 XC Correction (0.02772s) started
T12 << 1462363435.64921999 XC Correction (0.02774s) stopped
T12 << 1462363437.94795990 Atomic (2010.83720s) stopped
T12 >> 1462363437.94813704 Communicate (11581.49221s) started
T12 << 1462363458.22441602 Communicate (11601.76849s) stopped
T12 << 1462363458.22445202 Hamiltonian (42664.86218s) stopped
T12 >> 1462363458.22447705 LCAO eigensolver (59561.03529s) started
T12 >> 1462363458.22448993 Potential matrix (885.45177s) started
T12 << 1462363459.20123601 Potential matrix (886.42852s) stopped
T12 >> 1462363459.20130897 DistributedAtomicCorrection (380.52741s) started
T12 << 1462363459.64776397 DistributedAtomicCorrection (380.97387s) stopped
T12 >> 1462363459.64781308 Distribute overlap matrix (7020.25095s) started
T12 >> 1462363459.64784408 blocked summation (3927.35098s) started
T12 << 1462363464.47843790 blocked summation (3932.18157s) stopped
T12 >> 1462363464.48762393 Scalapack redistribute (3084.00260s) started
T12 << 1462363468.25320101 Scalapack redistribute (3087.76817s) stopped
T12 << 1462363468.25328708 Distribute overlap matrix (7028.85643s) stopped
T12 >> 1462363468.25809312 Blacs Orbital Layouts (49663.78706s) started
T12 >> 1462363468.26673889 General diagonalize (49469.27747s) started
T12 << 1462363525.34466791 General diagonalize (49526.35540s) stopped
T12 >> 1462363525.34471393 Redistribute coefs (7.62668s) started
T12 << 1462363525.35274696 Redistribute coefs (7.63471s) stopped
T12 >> 1462363525.35282397 Send coefs to domains (178.57721s) started
T12 << 1462363525.44060111 Send coefs to domains (178.66498s) stopped
T12 << 1462363525.44102693 Blacs Orbital Layouts (49720.97000s) stopped
T12 >> 1462363525.44105506 Calculate projections (1606.54961s) started
T12 << 1462363527.17148399 Calculate projections (1608.28004s) stopped
T12 << 1462363527.17184496 LCAO eigensolver (59629.98266s) stopped
T12 >> 1462363530.31225300 Density (13928.46799s) started
T12 >> 1462363530.31226802 Pseudo density (10716.68409s) started
T12 >> 1462363530.31565094 Calculate density matrix (10058.50956s) started
T12 << 1462363542.24441695 Calculate density matrix (10070.43832s) stopped
T12 >> 1462363542.24446511 Construct density (641.18504s) started
T12 << 1462363543.03310490 Construct density (641.97368s) stopped
T12 >> 1462363543.04957104 Symmetrize density (0.07208s) started
T12 << 1462363543.04963493 Symmetrize density (0.07214s) stopped
T12 << 1462363543.05206394 Pseudo density (10729.42388s) stopped
T12 >> 1462363543.05212212 Atomic density matrices (2840.10758s) started
T12 << 1462363546.71197200 Atomic density matrices (2843.76743s) stopped
T12 >> 1462363546.71200609 Multipole moments (11.00731s) started
T12 << 1462363546.72916389 Multipole moments (11.02447s) stopped
T12 >> 1462363546.72919512 Normalize (5.70910s) started
T12 << 1462363546.73593712 Normalize (5.71584s) stopped
T12 >> 1462363546.73598099 Mix (354.89220s) started
T12 << 1462363547.18641090 Mix (355.34263s) stopped
T12 << 1462363547.18644500 Density (13945.34218s) stopped
T12 >> 1462363547.18647099 Hamiltonian (42664.86219s) started
T12 >> 1462363547.18648601 vbar (22.48355s) started
T12 << 1462363547.21331191 vbar (22.51038s) stopped
T12 >> 1462363547.21346593 XC 3D grid (23811.60811s) started
T12 >> 1462363547.69227290 van der Waals (22995.80801s) started
T12 >> 1462363547.80832791 semilocal (4861.45915s) started
T12 << 1462363553.61931300 semilocal (4867.27013s) stopped
T12 >> 1462363553.69351912 redistribute (2467.76787s) started
T12 << 1462363554.65511489 redistribute (2468.72946s) stopped
T12 >> 1462363554.65518689 libvdwxc nonlocal (15506.17145s) started
T12 << 1462363573.24117708 libvdwxc nonlocal (15524.75744s) stopped
T12 >> 1462363573.24124098 redistribute (2468.72951s) started
T12 << 1462363575.01865196 redistribute (2470.50692s) stopped
T12 << 1462363575.01948309 van der Waals (23023.13522s) stopped
T12 << 1462363575.48652196 XC 3D grid (23839.88116s) stopped
T12 >> 1462363575.48659396 Poisson (4903.35267s) started
T12 << 1462363581.25875092 Poisson (4909.12483s) stopped
T12 >> 1462363581.25889993 Hartree integrate/restrict (314.48711s) started
T12 << 1462363581.30516410 Hartree integrate/restrict (314.53338s) stopped
T12 >> 1462363581.30527401 Hartree integrate/restrict (314.53345s) started
T12 << 1462363581.63614798 Hartree integrate/restrict (314.86432s) stopped
T12 >> 1462363581.63627696 Atomic (2010.83722s) started
T12 >> 1462363581.63867092 XC Correction (0.02775s) started
T12 << 1462363581.63871408 XC Correction (0.02779s) stopped
T12 << 1462363583.93898392 Atomic (2013.13993s) stopped
T12 >> 1462363583.93915296 Communicate (11601.76851s) started
T12 << 1462363603.62290406 Communicate (11621.45227s) stopped
T12 << 1462363603.62294006 Hamiltonian (42721.29866s) stopped
T12 >> 1462363603.62296605 LCAO eigensolver (59629.98268s) started
T12 >> 1462363603.62297893 Potential matrix (886.42856s) started
T12 << 1462363604.61574793 Potential matrix (887.42133s) stopped
T12 >> 1462363604.61582303 DistributedAtomicCorrection (380.97391s) started
T12 << 1462363605.06168699 DistributedAtomicCorrection (381.41977s) stopped
T12 >> 1462363605.06174803 Distribute overlap matrix (7028.85644s) started
T12 >> 1462363605.06176996 blocked summation (3932.18160s) started
T12 << 1462363609.96239305 blocked summation (3937.08222s) stopped
T12 >> 1462363609.97130299 Scalapack redistribute (3087.76822s) started
T12 << 1462363613.72671604 Scalapack redistribute (3091.52363s) stopped
T12 << 1462363613.72681904 Distribute overlap matrix (7037.52151s) stopped
T12 >> 1462363613.73127103 Blacs Orbital Layouts (49720.97002s) started
T12 >> 1462363613.73955703 General diagonalize (49526.35543s) started
T12 << 1462363670.06457901 General diagonalize (49582.68045s) stopped
T12 >> 1462363670.06462502 Redistribute coefs (7.63477s) started
T12 << 1462363670.07298398 Redistribute coefs (7.64313s) stopped
T12 >> 1462363670.07306004 Send coefs to domains (178.66502s) started
T12 << 1462363670.31332707 Send coefs to domains (178.90529s) stopped
T12 << 1462363670.31379199 Blacs Orbital Layouts (49777.55254s) stopped
T12 >> 1462363670.31384397 Calculate projections (1608.28009s) started
T12 << 1462363672.04964399 Calculate projections (1610.01589s) stopped
T12 << 1462363672.04983592 LCAO eigensolver (59698.40955s) stopped
T12 >> 1462363675.21829391 Density (13945.34220s) started
T12 >> 1462363675.21830893 Pseudo density (10729.42393s) started
T12 >> 1462363675.22121096 Calculate density matrix (10070.43835s) started
T12 << 1462363687.24092293 Calculate density matrix (10082.45807s) stopped
T12 >> 1462363687.24097109 Construct density (641.97373s) started
T12 << 1462363688.02893806 Construct density (642.76170s) stopped
T12 >> 1462363688.04540300 Symmetrize density (0.07216s) started
T12 << 1462363688.04546809 Symmetrize density (0.07222s) stopped
T12 << 1462363688.04789901 Pseudo density (10742.25352s) stopped
T12 >> 1462363688.04795694 Atomic density matrices (2843.76745s) started
T12 << 1462363691.63834906 Atomic density matrices (2847.35784s) stopped
T12 >> 1462363691.63838196 Multipole moments (11.02449s) started
T12 << 1462363691.65542102 Multipole moments (11.04153s) stopped
T12 >> 1462363691.65545201 Normalize (5.71587s) started
T12 << 1462363691.66193891 Normalize (5.72236s) stopped
T12 >> 1462363691.66197705 Mix (355.34266s) started
T12 << 1462363692.09492111 Mix (355.77561s) stopped
T12 << 1462363692.09498596 Density (13962.21889s) stopped
T12 >> 1462363692.09501410 Hamiltonian (42721.29867s) started
T12 >> 1462363692.09502912 vbar (22.51046s) started
T12 << 1462363692.11876607 vbar (22.53420s) stopped
T12 >> 1462363692.11888504 XC 3D grid (23839.88122s) started
T12 >> 1462363692.62504506 van der Waals (23023.13524s) started
T12 >> 1462363692.73704410 semilocal (4867.27021s) started
T12 << 1462363698.52051091 semilocal (4873.05368s) stopped
T12 >> 1462363698.59550309 redistribute (2470.50698s) started
T12 << 1462363699.57266307 redistribute (2471.48414s) stopped
T12 >> 1462363699.57274008 libvdwxc nonlocal (15524.75749s) started
T12 << 1462363718.17297101 libvdwxc nonlocal (15543.35772s) stopped
T12 >> 1462363718.17301393 redistribute (2471.48419s) started
T12 << 1462363720.72336698 redistribute (2474.03454s) stopped
T12 << 1462363720.72444701 van der Waals (23051.23464s) stopped
T12 << 1462363721.18692803 XC 3D grid (23868.94927s) stopped
T12 >> 1462363721.18697000 Poisson (4909.12495s) started
T12 << 1462363726.96041203 Poisson (4914.89839s) stopped
T12 >> 1462363726.96047997 Hartree integrate/restrict (314.86439s) started
T12 << 1462363727.00635600 Hartree integrate/restrict (314.91026s) stopped
T12 >> 1462363727.00641704 Hartree integrate/restrict (314.91030s) started
T12 << 1462363727.32718897 Hartree integrate/restrict (315.23107s) stopped
T12 >> 1462363727.32734108 Atomic (2013.13995s) started
T12 >> 1462363727.33047605 XC Correction (0.02781s) started
T12 << 1462363727.33052301 XC Correction (0.02786s) stopped
T12 << 1462363729.65170407 Atomic (2015.46432s) stopped
T12 >> 1462363729.65187311 Communicate (11621.45229s) started
T12 << 1462363748.52094293 Communicate (11640.32136s) stopped
T12 << 1462363748.52098203 Hamiltonian (42777.72464s) stopped
T12 >> 1462363748.52100801 LCAO eigensolver (59698.40957s) started
T12 >> 1462363748.52102089 Potential matrix (887.42138s) started
T12 << 1462363749.50686908 Potential matrix (888.40722s) stopped
T12 >> 1462363749.50694299 DistributedAtomicCorrection (381.41981s) started
T12 << 1462363749.96943092 DistributedAtomicCorrection (381.88230s) stopped
T12 >> 1462363749.96949601 Distribute overlap matrix (7037.52152s) started
T12 >> 1462363749.96951890 blocked summation (3937.08225s) started
T12 << 1462363754.76944304 blocked summation (3941.88218s) stopped
T12 >> 1462363754.77899504 Scalapack redistribute (3091.52369s) started
T12 << 1462363758.63263297 Scalapack redistribute (3095.37733s) stopped
T12 << 1462363758.63274002 Distribute overlap matrix (7046.18477s) stopped
T12 >> 1462363758.63733697 Blacs Orbital Layouts (49777.55256s) started
T12 >> 1462363758.64597011 General diagonalize (49582.68049s) started
T12 << 1462363812.65128493 General diagonalize (49636.68581s) stopped
T12 >> 1462363812.65133595 Redistribute coefs (7.64319s) started
T12 << 1462363812.66076398 Redistribute coefs (7.65262s) stopped
T12 >> 1462363812.66082191 Send coefs to domains (178.90532s) started
T12 << 1462363812.75176311 Send coefs to domains (178.99626s) stopped
T12 << 1462363812.75218010 Blacs Orbital Layouts (49831.66740s) stopped
T12 >> 1462363812.75221610 Calculate projections (1610.01594s) started
T12 << 1462363814.49499106 Calculate projections (1611.75871s) stopped
T12 << 1462363814.49544001 LCAO eigensolver (59764.38400s) stopped
T12 >> 1462363817.66046095 Density (13962.21890s) started
T12 >> 1462363817.66047692 Pseudo density (10742.25357s) started
T12 >> 1462363817.66365099 Calculate density matrix (10082.45810s) started
T12 << 1462363829.49362707 Calculate density matrix (10094.28807s) stopped
T12 >> 1462363829.49368405 Construct density (642.76175s) started
T12 << 1462363830.28138208 Construct density (643.54945s) stopped
T12 >> 1462363830.29663992 Symmetrize density (0.07224s) started
T12 << 1462363830.29671311 Symmetrize density (0.07231s) stopped
T12 << 1462363830.29881406 Pseudo density (10754.89190s) stopped
T12 >> 1462363830.29888201 Atomic density matrices (2847.35787s) started
T12 << 1462363833.90774989 Atomic density matrices (2850.96674s) stopped
T12 >> 1462363833.90778708 Multipole moments (11.04154s) started
T12 << 1462363833.92471504 Multipole moments (11.05847s) stopped
T12 >> 1462363833.92474794 Normalize (5.72238s) started
T12 << 1462363833.93089008 Normalize (5.72853s) stopped
T12 >> 1462363833.93101192 Mix (355.77567s) started
T12 << 1462363834.35579991 Mix (356.20046s) stopped
T12 << 1462363834.35587811 Density (13978.91432s) stopped
T12 >> 1462363834.35591888 Hamiltonian (42777.72466s) started
T12 >> 1462363834.35593796 vbar (22.53427s) started
T12 << 1462363834.37929392 vbar (22.55763s) stopped
T12 >> 1462363834.37940502 XC 3D grid (23868.94930s) started
T12 >> 1462363834.88748503 van der Waals (23051.23467s) started
T12 >> 1462363834.99726605 semilocal (4873.05374s) started
T12 << 1462363840.69314408 semilocal (4878.74962s) stopped
T12 >> 1462363840.77101898 redistribute (2474.03460s) started
T12 << 1462363841.82444596 redistribute (2475.08803s) stopped
T12 >> 1462363841.82449889 libvdwxc nonlocal (15543.35775s) started
T12 << 1462363859.79908490 libvdwxc nonlocal (15561.33234s) stopped
T12 >> 1462363859.79917097 redistribute (2475.08807s) started
T12 << 1462363861.80101991 redistribute (2477.08992s) stopped
T12 << 1462363861.80199099 van der Waals (23078.14918s) stopped
T12 << 1462363862.26988411 XC 3D grid (23896.83978s) stopped
T12 >> 1462363862.26995397 Poisson (4914.89844s) started
T12 << 1462363868.01607394 Poisson (4920.64456s) stopped
T12 >> 1462363868.01619005 Hartree integrate/restrict (315.23115s) started
T12 << 1462363868.05566192 Hartree integrate/restrict (315.27062s) stopped
T12 >> 1462363868.05575109 Hartree integrate/restrict (315.27067s) started
T12 << 1462363868.39039397 Hartree integrate/restrict (315.60532s) stopped
T12 >> 1462363868.39047790 Atomic (2015.46434s) started
T12 >> 1462363868.39283299 XC Correction (0.02788s) started
T12 << 1462363868.39287996 XC Correction (0.02792s) stopped
T12 << 1462363870.71274304 Atomic (2017.78661s) stopped
T12 >> 1462363870.71292996 Communicate (11640.32139s) started
T12 << 1462363889.60698700 Communicate (11659.21544s) stopped
T12 << 1462363889.60702991 Hamiltonian (42832.97577s) stopped
T12 >> 1462363889.60705805 LCAO eigensolver (59764.38402s) started
T12 >> 1462363889.60707092 Potential matrix (888.40727s) started
T12 << 1462363890.59489298 Potential matrix (889.39509s) stopped
T12 >> 1462363890.59497404 DistributedAtomicCorrection (381.88234s) started
T12 << 1462363891.04622006 DistributedAtomicCorrection (382.33358s) stopped
T12 >> 1462363891.04628611 Distribute overlap matrix (7046.18478s) started
T12 >> 1462363891.04631090 blocked summation (3941.88223s) started
T12 << 1462363895.86258292 blocked summation (3946.69850s) stopped
T12 >> 1462363895.87276506 Scalapack redistribute (3095.37739s) started
T12 << 1462363899.70062709 Scalapack redistribute (3099.20526s) stopped
T12 << 1462363899.70074010 Distribute overlap matrix (7054.83923s) stopped
T12 >> 1462363899.70488191 Blacs Orbital Layouts (49831.66742s) started
T12 >> 1462363899.71380591 General diagonalize (49636.68585s) started
T12 << 1462363957.09110093 General diagonalize (49694.06314s) stopped
T12 >> 1462363957.09117198 Redistribute coefs (7.65267s) started
T12 << 1462363957.09964490 Redistribute coefs (7.66114s) stopped
T12 >> 1462363957.09972906 Send coefs to domains (178.99630s) started
T12 << 1462363957.23512793 Send coefs to domains (179.13170s) stopped
T12 << 1462363957.23575997 Blacs Orbital Layouts (49889.19830s) stopped
T12 >> 1462363957.23582792 Calculate projections (1611.75877s) started
T12 << 1462363958.97657800 Calculate projections (1613.49952s) stopped
T12 << 1462363958.97697806 LCAO eigensolver (59833.75394s) stopped
T12 >> 1462363962.10330701 Density (13978.91433s) started
T12 >> 1462363962.10332298 Pseudo density (10754.89196s) started
T12 >> 1462363962.10611200 Calculate density matrix (10094.28811s) started
T12 << 1462363974.05698109 Calculate density matrix (10106.23898s) stopped
T12 >> 1462363974.05703807 Construct density (643.54950s) started
T12 << 1462363974.84427691 Construct density (644.33674s) stopped
T12 >> 1462363974.85857797 Symmetrize density (0.07233s) started
T12 << 1462363974.85865211 Symmetrize density (0.07241s) stopped
T12 << 1462363974.86076188 Pseudo density (10767.64940s) stopped
T12 >> 1462363974.86087108 Atomic density matrices (2850.96676s) started
T12 << 1462363978.45534492 Atomic density matrices (2854.56124s) stopped
T12 >> 1462363978.45538306 Multipole moments (11.05849s) started
T12 << 1462363978.47235894 Multipole moments (11.07546s) stopped
T12 >> 1462363978.47239304 Normalize (5.72862s) started
T12 << 1462363978.47844195 Normalize (5.73467s) stopped
T12 >> 1462363978.47860003 Mix (356.20054s) started
T12 << 1462363978.90368605 Mix (356.62562s) stopped
T12 << 1462363978.90375495 Density (13995.71478s) stopped
T12 >> 1462363978.90378499 Hamiltonian (42832.97578s) started
T12 >> 1462363978.90380001 vbar (22.55769s) started
T12 << 1462363978.92909789 vbar (22.58299s) stopped
T12 >> 1462363978.92923689 XC 3D grid (23896.83983s) started
T12 >> 1462363979.45042205 van der Waals (23078.14920s) started
T12 >> 1462363979.55816007 semilocal (4878.74973s) started
T12 << 1462363985.36753702 semilocal (4884.55911s) stopped
T12 >> 1462363985.44506907 redistribute (2477.08998s) started
T12 << 1462363986.40421009 redistribute (2478.04912s) stopped
T12 >> 1462363986.40428591 libvdwxc nonlocal (15561.33241s) started
T12 << 1462364004.72065401 libvdwxc nonlocal (15579.64877s) stopped
T12 >> 1462364004.72072792 redistribute (2478.04918s) started
T12 << 1462364006.75472593 redistribute (2480.08318s) stopped
T12 << 1462364006.75573397 van der Waals (23105.45451s) stopped
T12 << 1462364007.22189307 XC 3D grid (23925.13249s) stopped
T12 >> 1462364007.22193789 Poisson (4920.64465s) started
T12 << 1462364011.61173391 Poisson (4925.03445s) stopped
T12 >> 1462364011.61183596 Hartree integrate/restrict (315.60535s) started
T12 << 1462364011.65279508 Hartree integrate/restrict (315.64631s) stopped
T12 >> 1462364011.65293193 Hartree integrate/restrict (315.64640s) started
T12 << 1462364012.00004005 Hartree integrate/restrict (315.99351s) stopped
T12 >> 1462364012.00013304 Atomic (2017.78663s) started
T12 >> 1462364012.00251889 XC Correction (0.02795s) started
T12 << 1462364012.00256705 XC Correction (0.02799s) stopped
T12 << 1462364014.32119203 Atomic (2020.10769s) stopped
T12 >> 1462364014.32137203 Communicate (11659.21547s) started
T12 << 1462364033.17251706 Communicate (11678.06662s) stopped
T12 << 1462364033.17255902 Hamiltonian (42887.24456s) stopped
T12 >> 1462364033.17258596 LCAO eigensolver (59833.75396s) started
T12 >> 1462364033.17259908 Potential matrix (889.39513s) started
T12 << 1462364034.15955901 Potential matrix (890.38209s) stopped
T12 >> 1462364034.15965390 DistributedAtomicCorrection (382.33363s) started
T12 << 1462364034.61373091 DistributedAtomicCorrection (382.78770s) stopped
T12 >> 1462364034.61379790 Distribute overlap matrix (7054.83925s) started
T12 >> 1462364034.61382699 blocked summation (3946.69854s) started
T12 << 1462364039.47671199 blocked summation (3951.56142s) stopped
T12 >> 1462364039.48619795 Scalapack redistribute (3099.20532s) started
T12 << 1462364043.25301504 Scalapack redistribute (3102.97214s) stopped
T12 << 1462364043.25310397 Distribute overlap matrix (7063.47855s) stopped
T12 >> 1462364043.25867295 Blacs Orbital Layouts (49889.19832s) started
T12 >> 1462364043.26782703 General diagonalize (49694.06320s) started
T12 << 1462364097.05589509 General diagonalize (49747.85127s) stopped
T12 >> 1462364097.05594897 Redistribute coefs (7.66121s) started
T12 << 1462364097.06518888 Redistribute coefs (7.67045s) stopped
T12 >> 1462364097.06526995 Send coefs to domains (179.13174s) started
T12 << 1462364097.15956807 Send coefs to domains (179.22604s) stopped
T12 << 1462364097.15999603 Blacs Orbital Layouts (49943.09964s) stopped
T12 >> 1462364097.16003108 Calculate projections (1613.49958s) started
T12 << 1462364098.90214491 Calculate projections (1615.24169s) stopped
T12 << 1462364098.90254211 LCAO eigensolver (59899.48391s) stopped
T12 >> 1462364102.04395294 Density (13995.71480s) started
T12 >> 1462364102.04397011 Pseudo density (10767.64949s) started
T12 >> 1462364102.04616809 Calculate density matrix (10106.23902s) started
T12 << 1462364113.95452189 Calculate density matrix (10118.14738s) stopped
T12 >> 1462364113.95458007 Construct density (644.33680s) started
T12 << 1462364114.74313593 Construct density (645.12536s) stopped
T12 >> 1462364114.75717306 Symmetrize density (0.07243s) started
T12 << 1462364114.75724792 Symmetrize density (0.07250s) stopped
T12 << 1462364114.75935102 Pseudo density (10780.36487s) stopped
T12 >> 1462364114.75941992 Atomic density matrices (2854.56126s) started
T12 << 1462364118.40023994 Atomic density matrices (2858.20208s) stopped
T12 >> 1462364118.40027905 Multipole moments (11.07548s) started
T12 << 1462364118.41729808 Multipole moments (11.09250s) stopped
T12 >> 1462364118.41733503 Normalize (5.73480s) started
T12 << 1462364118.42374492 Normalize (5.74121s) stopped
T12 >> 1462364118.42386699 Mix (356.62569s) started
T12 << 1462364118.87696099 Mix (357.07878s) stopped
T12 << 1462364118.87705112 Density (14012.54790s) stopped
T12 >> 1462364118.87709093 Hamiltonian (42887.24457s) started
T12 >> 1462364118.87710810 vbar (22.58306s) started
T12 << 1462364118.90035892 vbar (22.60631s) stopped
T12 >> 1462364118.90044594 XC 3D grid (23925.13253s) started
T12 >> 1462364119.39522791 van der Waals (23105.45454s) started
T12 >> 1462364119.50452495 semilocal (4884.55919s) started
T12 << 1462364125.33443403 semilocal (4890.38910s) stopped
T12 >> 1462364125.41958308 redistribute (2480.08325s) started
T12 << 1462364126.38008904 redistribute (2481.04376s) stopped
T12 >> 1462364126.38014007 libvdwxc nonlocal (15579.64883s) started
T12 << 1462364144.92836690 libvdwxc nonlocal (15598.19706s) stopped
T12 >> 1462364144.92842388 redistribute (2481.04380s) started
T12 << 1462364147.03480792 redistribute (2483.15018s) stopped
T12 << 1462364147.03585792 van der Waals (23133.09517s) stopped
T12 << 1462364147.51030111 XC 3D grid (23953.74238s) stopped
T12 >> 1462364147.51036811 Poisson (4925.03451s) started
T12 << 1462364152.03478098 Poisson (4929.55893s) stopped
T12 >> 1462364152.03485394 Hartree integrate/restrict (315.99355s) started
T12 << 1462364152.07472205 Hartree integrate/restrict (316.03342s) stopped
T12 >> 1462364152.07485890 Hartree integrate/restrict (316.03351s) started
T12 << 1462364152.41910911 Hartree integrate/restrict (316.37776s) stopped
T12 >> 1462364152.41919589 Atomic (2020.10772s) started
T12 >> 1462364152.42157102 XC Correction (0.02801s) started
T12 << 1462364152.42161107 XC Correction (0.02805s) stopped
T12 << 1462364154.73995590 Atomic (2022.42848s) stopped
T12 >> 1462364154.74012709 Communicate (11678.06665s) started
T12 << 1462364173.70991492 Communicate (11697.03643s) stopped
T12 << 1462364173.70995688 Hamiltonian (42942.07744s) stopped
T12 >> 1462364173.70998502 LCAO eigensolver (59899.48393s) started
T12 >> 1462364173.70999908 Potential matrix (890.38215s) started
T12 << 1462364174.69627905 Potential matrix (891.36843s) stopped
T12 >> 1462364174.69636202 DistributedAtomicCorrection (382.78774s) started
T12 << 1462364175.15270996 DistributedAtomicCorrection (383.24409s) stopped
T12 >> 1462364175.15277696 Distribute overlap matrix (7063.47857s) started
T12 >> 1462364175.15280199 blocked summation (3951.56146s) started
T12 << 1462364180.01748300 blocked summation (3956.42614s) stopped
T12 >> 1462364180.02684498 Scalapack redistribute (3102.97218s) started
T12 << 1462364183.85682797 Scalapack redistribute (3106.80216s) stopped
T12 << 1462364183.85691190 Distribute overlap matrix (7072.18270s) stopped
T12 >> 1462364183.86155891 Blacs Orbital Layouts (49943.09966s) started
T12 >> 1462364183.87063003 General diagonalize (49747.85131s) started
T12 << 1462364238.38300705 General diagonalize (49802.36369s) stopped
T12 >> 1462364238.38307810 Redistribute coefs (7.67051s) started
T12 << 1462364238.39178205 Redistribute coefs (7.67921s) stopped
T12 >> 1462364238.39185596 Send coefs to domains (179.22607s) started
T12 << 1462364238.49104691 Send coefs to domains (179.32526s) stopped
T12 << 1462364238.49152088 Blacs Orbital Layouts (49997.72962s) stopped
T12 >> 1462364238.49155211 Calculate projections (1615.24174s) started
T12 << 1462364240.22231889 Calculate projections (1616.97251s) stopped
T12 << 1462364240.22280502 LCAO eigensolver (59965.99675s) stopped
T12 >> 1462364243.38637590 Density (14012.54791s) started
T12 >> 1462364243.38639212 Pseudo density (10780.36493s) started
T12 >> 1462364243.38964701 Calculate density matrix (10118.14742s) started
T12 << 1462364255.29446006 Calculate density matrix (10130.05223s) stopped
T12 >> 1462364255.29450893 Construct density (645.12541s) started
T12 << 1462364256.08387089 Construct density (645.91478s) stopped
T12 >> 1462364256.10038590 Symmetrize density (0.07252s) started
T12 << 1462364256.10045290 Symmetrize density (0.07259s) stopped
T12 << 1462364256.10288596 Pseudo density (10793.08142s) stopped
T12 >> 1462364256.10294294 Atomic density matrices (2858.20211s) started
T12 << 1462364259.69496489 Atomic density matrices (2861.79413s) stopped
T12 >> 1462364259.69499993 Multipole moments (11.09252s) started
T12 << 1462364259.71199703 Multipole moments (11.10952s) stopped
T12 >> 1462364259.71202898 Normalize (5.74130s) started
T12 << 1462364259.72116208 Normalize (5.75043s) stopped
T12 >> 1462364259.72120690 Mix (357.07887s) started
T12 << 1462364260.18722701 Mix (357.54489s) stopped
T12 << 1462364260.18731594 Density (14029.34885s) stopped
T12 >> 1462364260.18735003 Hamiltonian (42942.07745s) started
T12 >> 1462364260.18736696 vbar (22.60635s) started
T12 << 1462364260.21329093 vbar (22.63228s) stopped
T12 >> 1462364260.21343493 XC 3D grid (23953.74244s) started
T12 >> 1462364260.71590805 van der Waals (23133.09520s) started
T12 >> 1462364260.83284903 semilocal (4890.38920s) started
T12 << 1462364266.65410209 semilocal (4896.21045s) stopped
T12 >> 1462364266.73459005 redistribute (2483.15025s) started
T12 << 1462364267.68998003 redistribute (2484.10564s) stopped
T12 >> 1462364267.69004512 libvdwxc nonlocal (15598.19710s) started
T12 << 1462364286.17321610 libvdwxc nonlocal (15616.68027s) stopped
T12 >> 1462364286.17327905 redistribute (2484.10569s) started
T12 << 1462364287.92503095 redistribute (2485.85744s) stopped
T12 << 1462364287.92600012 van der Waals (23160.30529s) stopped
T12 << 1462364288.39132595 XC 3D grid (23981.92033s) stopped
T12 >> 1462364288.39138007 Poisson (4929.55898s) started
T12 << 1462364292.76732111 Poisson (4933.93492s) stopped
T12 >> 1462364292.76745391 Hartree integrate/restrict (316.37780s) started
T12 << 1462364292.81549406 Hartree integrate/restrict (316.42584s) stopped
T12 >> 1462364292.81559992 Hartree integrate/restrict (316.42592s) started
T12 << 1462364293.15748000 Hartree integrate/restrict (316.76780s) stopped
T12 >> 1462364293.15755296 Atomic (2022.42850s) started
T12 >> 1462364293.15929794 XC Correction (0.02807s) started
T12 << 1462364293.15931392 XC Correction (0.02808s) stopped
T12 << 1462364295.47262311 Atomic (2024.74357s) stopped
T12 >> 1462364295.47276592 Communicate (11697.03646s) started
T12 << 1462364314.40291095 Communicate (11715.96661s) stopped
T12 << 1462364314.40295100 Hamiltonian (42996.29305s) stopped
T12 >> 1462364314.40297699 LCAO eigensolver (59965.99677s) started
T12 >> 1462364314.40299010 Potential matrix (891.36847s) started
T12 << 1462364315.39161205 Potential matrix (892.35710s) stopped
T12 >> 1462364315.39168310 DistributedAtomicCorrection (383.24413s) started
T12 << 1462364315.84278393 DistributedAtomicCorrection (383.69523s) stopped
T12 >> 1462364315.84284902 Distribute overlap matrix (7072.18271s) started
T12 >> 1462364315.84287095 blocked summation (3956.42618s) started
T12 << 1462364320.71967006 blocked summation (3961.30297s) stopped
T12 >> 1462364320.72907710 Scalapack redistribute (3106.80220s) started
T12 << 1462364324.46096706 Scalapack redistribute (3110.53409s) stopped
T12 << 1462364324.46106911 Distribute overlap matrix (7080.80093s) stopped
T12 >> 1462364324.46554708 Blacs Orbital Layouts (49997.72964s) started
T12 >> 1462364324.47404289 General diagonalize (49802.36375s) started
T12 << 1462364381.77247596 General diagonalize (49859.66218s) stopped
T12 >> 1462364381.77255106 Redistribute coefs (7.67927s) started
T12 << 1462364381.78108907 Redistribute coefs (7.68781s) stopped
T12 >> 1462364381.78116202 Send coefs to domains (179.32530s) started
T12 << 1462364381.98450589 Send coefs to domains (179.52864s) stopped
T12 << 1462364381.98485804 Blacs Orbital Layouts (50055.24895s) stopped
T12 >> 1462364381.98491311 Calculate projections (1616.97256s) started
T12 << 1462364383.71557689 Calculate projections (1618.70322s) stopped
T12 << 1462364383.71593094 LCAO eigensolver (60035.30973s) stopped
T12 >> 1462364386.85912108 Density (14029.34887s) started
T12 >> 1462364386.85913706 Pseudo density (10793.08147s) started
T12 >> 1462364386.86209393 Calculate density matrix (10130.05227s) started
T12 << 1462364398.77251291 Calculate density matrix (10141.96268s) stopped
T12 >> 1462364398.77256107 Construct density (645.91483s) started
T12 << 1462364399.56139493 Construct density (646.70366s) stopped
T12 >> 1462364399.57764006 Symmetrize density (0.07260s) started
T12 << 1462364399.57770395 Symmetrize density (0.07267s) stopped
T12 << 1462364399.58013296 Pseudo density (10805.80246s) stopped
T12 >> 1462364399.58018994 Atomic density matrices (2861.79416s) started
T12 << 1462364403.20509696 Atomic density matrices (2865.41906s) stopped
T12 >> 1462364403.20513201 Multipole moments (11.10953s) started
T12 << 1462364403.22135806 Multipole moments (11.12576s) stopped
T12 >> 1462364403.22139096 Normalize (5.75047s) started
T12 << 1462364403.22803807 Normalize (5.75711s) stopped
T12 >> 1462364403.22808599 Mix (357.54498s) started
T12 << 1462364403.66688704 Mix (357.98378s) stopped
T12 << 1462364403.66694307 Density (14046.15669s) stopped
T12 >> 1462364403.66697097 Hamiltonian (42996.29306s) started
T12 >> 1462364403.66698503 vbar (22.63236s) started
T12 << 1462364403.69420505 vbar (22.65958s) stopped
T12 >> 1462364403.69436312 XC 3D grid (23981.92037s) started
T12 >> 1462364404.18668294 van der Waals (23160.30531s) started
T12 >> 1462364404.29970789 semilocal (4896.21056s) started
T12 << 1462364410.09063411 semilocal (4902.00149s) stopped
T12 >> 1462364410.16378307 redistribute (2485.85749s) started
T12 << 1462364411.15376997 redistribute (2486.84748s) stopped
T12 >> 1462364411.15385389 libvdwxc nonlocal (15616.68032s) started
T12 << 1462364429.86542201 libvdwxc nonlocal (15635.39189s) stopped
T12 >> 1462364429.86549211 redistribute (2486.84754s) started
T12 << 1462364431.55733705 redistribute (2488.53938s) stopped
T12 << 1462364431.55832791 van der Waals (23187.67696s) stopped
T12 << 1462364432.03337002 XC 3D grid (24010.25938s) stopped
T12 >> 1462364432.03340912 Poisson (4933.93502s) started
T12 << 1462364436.50700688 Poisson (4938.40862s) stopped
T12 >> 1462364436.50706911 Hartree integrate/restrict (316.76783s) started
T12 << 1462364436.56538510 Hartree integrate/restrict (316.82614s) stopped
T12 >> 1462364436.56547689 Hartree integrate/restrict (316.82621s) started
T12 << 1462364436.89247108 Hartree integrate/restrict (317.15320s) stopped
T12 >> 1462364436.89261508 Atomic (2024.74360s) started
T12 >> 1462364436.89475894 XC Correction (0.02810s) started
T12 << 1462364436.89480591 XC Correction (0.02814s) stopped
T12 << 1462364439.21215010 Atomic (2027.06313s) stopped
T12 >> 1462364439.21228290 Communicate (11715.96663s) started
T12 << 1462364458.26637912 Communicate (11735.02073s) stopped
T12 << 1462364458.26641512 Hamiltonian (43050.89251s) stopped
T12 >> 1462364458.26643991 LCAO eigensolver (60035.30974s) started
T12 >> 1462364458.26645303 Potential matrix (892.35714s) started
T12 << 1462364459.24743605 Potential matrix (893.33812s) stopped
T12 >> 1462364459.24750710 DistributedAtomicCorrection (383.69527s) started
T12 << 1462364459.70012689 DistributedAtomicCorrection (384.14789s) stopped
T12 >> 1462364459.70018911 Distribute overlap matrix (7080.80095s) started
T12 >> 1462364459.70021009 blocked summation (3961.30301s) started
T12 << 1462364464.50250793 blocked summation (3966.10530s) stopped
T12 >> 1462364464.51304603 Scalapack redistribute (3110.53414s) started
T12 << 1462364468.35543895 Scalapack redistribute (3114.37654s) stopped
T12 << 1462364468.35551596 Distribute overlap matrix (7089.45627s) stopped
T12 >> 1462364468.36149311 Blacs Orbital Layouts (50055.24897s) started
T12 >> 1462364468.37075806 General diagonalize (49859.66225s) started
T12 << 1462364525.93561792 General diagonalize (49917.22710s) stopped
T12 >> 1462364525.93566895 Redistribute coefs (7.68787s) started
T12 << 1462364525.94369602 Redistribute coefs (7.69590s) stopped
T12 >> 1462364525.94376993 Send coefs to domains (179.52868s) started
T12 << 1462364526.17343807 Send coefs to domains (179.75834s) stopped
T12 << 1462364526.17415500 Blacs Orbital Layouts (50113.06163s) stopped
T12 >> 1462364526.17418694 Calculate projections (1618.70327s) started
T12 << 1462364527.90457106 Calculate projections (1620.43366s) stopped
T12 << 1462364527.90492702 LCAO eigensolver (60104.94823s) stopped
T12 << 1462364531.07844806 SCF-cycle (120109.74834s) stopped
T12 >> 1462364533.26283789 Force calculation (5806.24570s) started
T12 >> 1462364533.26292205 LCAO forces (5743.63345s) started
T12 >> 1462364533.26328301 Initial (0.00165s) started
T12 << 1462364533.26329398 Initial (0.00166s) stopped
T12 >> 1462364533.27025390 Get density matrix (2974.36431s) started
T12 << 1462364542.39702892 Get density matrix (2983.49108s) stopped
T12 >> 1462364542.39706898 Potential (450.75343s) started
T12 << 1462364548.69063997 Potential (457.04701s) stopped
T12 >> 1462364548.69069695 Get density matrix (2983.49112s) started
T12 << 1462364580.87810612 Get density matrix (3015.67852s) stopped
T12 >> 1462364580.87816501 Prepare TCI loop (161.81765s) started
T12 >> 1462364580.87867093 Get neighbors (143.11541s) started
T12 << 1462364582.86082006 Get neighbors (145.09756s) stopped
T12 >> 1462364582.86131001 broadcast dH (18.61467s) started
T12 << 1462364583.27572393 broadcast dH (19.02908s) stopped
T12 << 1462364583.27576494 Prepare TCI loop (164.21525s) stopped
T12 >> 1462364583.27578402 Not so complicated loop (8.75030s) started
T12 << 1462364583.39585090 Not so complicated loop (8.87036s) stopped
T12 >> 1462364583.51598692 Complicated loop (1392.80657s) started
T12 << 1462364603.28116703 Complicated loop (1412.57175s) stopped
T12 >> 1462364603.28225899 Wait for sum (745.63379s) started
T12 << 1462364615.15485692 Wait for sum (757.50639s) stopped
T12 << 1462364615.15489507 LCAO forces (5825.52542s) stopped
T12 << 1462364616.02611709 Force calculation (5889.00898s) stopped
T12 >> 1462364616.04401994 Initialization (9772.43012s) started
T12 << 1462364616.04419303 Initialization (9772.43029s) stopped
T12 >> 1462364616.04444909 Initialization (9772.43031s) started
T12 << 1462364616.04458594 Initialization (9772.43044s) stopped
T12 >> 1462364616.04472709 Initialization (9772.43046s) started
T12 << 1462364616.04486609 Initialization (9772.43060s) stopped
T12 >> 1462364636.30802107 Initialization (9772.43062s) started
T12 >> 1462364636.42026091 Basic WFS set positions (6.59162s) started
T12 >> 1462364636.42028499 Redistribute (0.02086s) started
T12 << 1462364636.42041397 Redistribute (0.02099s) stopped
T12 << 1462364636.51209593 Basic WFS set positions (6.68345s) stopped
T12 >> 1462364636.51212597 Basis functions set positions (139.70469s) started
T12 << 1462364638.48028588 Basis functions set positions (141.67285s) stopped
T12 >> 1462364638.48079395 TCI: Calculate S, T, P (1146.46290s) started
T12 << 1462364654.25711393 TCI: Calculate S, T, P (1162.23922s) stopped
T12 >> 1462364654.25716901 blocked summation (1984.10314s) started
T12 << 1462364688.63454604 blocked summation (2018.48052s) stopped
T12 >> 1462364688.64415407 Scalapack redistribute (698.61627s) started
T12 << 1462364697.93592596 Scalapack redistribute (707.90805s) stopped
T12 >> 1462364697.93693995 blocked summation (2018.48056s) started
T12 << 1462364699.03247809 blocked summation (2019.57609s) stopped
T12 >> 1462364699.04171395 Scalapack redistribute (707.90811s) started
T12 << 1462364699.24275208 Scalapack redistribute (708.10915s) stopped
T12 >> 1462364699.24466991 Redistribute (0.13341s) started
T12 << 1462364699.24517107 Redistribute (0.13391s) stopped
T12 >> 1462364701.04831791 Redistribute (0.13393s) started
T12 << 1462364701.04875708 Redistribute (0.13437s) stopped
T12 >> 1462364701.06293511 LCAO WFS Initialize (5651.75390s) started
T12 >> 1462364701.06297803 Density initialize from wavefunctions (1065.63040s) started
T12 >> 1462364701.06859112 Calculate density matrix (733.49995s) started
T12 << 1462364710.96921802 Calculate density matrix (743.40058s) stopped
T12 >> 1462364710.96926594 Construct density (56.45031s) started
T12 << 1462364711.75184107 Construct density (57.23289s) stopped
T12 >> 1462364711.76598191 Symmetrize density (0.00616s) started
T12 << 1462364711.76605105 Symmetrize density (0.00623s) stopped
T12 << 1462364715.62853003 Density initialize from wavefunctions (1080.19596s) stopped
T12 >> 1462364715.62880301 Hamiltonian (4585.18590s) started
T12 >> 1462364715.62882304 vbar (2.06706s) started
T12 << 1462364715.65076208 vbar (2.08900s) stopped
T12 >> 1462364715.65087295 XC 3D grid (2132.65002s) started
T12 >> 1462364716.18698597 van der Waals (2060.01990s) started
T12 >> 1462364716.29500103 semilocal (434.32516s) started
T12 << 1462364722.06576991 semilocal (440.09593s) stopped
T12 >> 1462364722.14164996 redistribute (230.42180s) started
T12 << 1462364723.13801408 redistribute (231.41816s) stopped
T12 >> 1462364723.13807797 libvdwxc nonlocal (1380.91488s) started
T12 << 1462364741.35570192 libvdwxc nonlocal (1399.13251s) stopped
T12 >> 1462364741.35574794 redistribute (231.41822s) started
T12 << 1462364743.02547908 redistribute (233.08795s) stopped
T12 << 1462364743.02647901 van der Waals (2086.85939s) stopped
T12 << 1462364743.48256612 XC 3D grid (2160.48171s) stopped
T12 >> 1462364743.48263097 Poisson (1054.70496s) started
T12 << 1462364756.37817097 Poisson (1067.60050s) stopped
T12 >> 1462364756.37828588 Hartree integrate/restrict (28.08959s) started
T12 << 1462364756.42549801 Hartree integrate/restrict (28.13680s) stopped
T12 >> 1462364756.42560792 Hartree integrate/restrict (28.13688s) started
T12 << 1462364756.76823497 Hartree integrate/restrict (28.47951s) stopped
T12 >> 1462364756.76842499 Atomic (177.66996s) started
T12 >> 1462364756.77118611 XC Correction (0.00267s) started
T12 << 1462364756.77120590 XC Correction (0.00269s) stopped
T12 << 1462364759.08147597 Atomic (179.98301s) stopped
T12 >> 1462364759.08165002 Communicate (1189.94908s) started
T12 << 1462364778.96144009 Communicate (1209.82887s) stopped
T12 << 1462364778.96147704 Hamiltonian (4648.51857s) stopped
T12 << 1462364778.96149111 LCAO WFS Initialize (5729.65245s) stopped
T12 << 1462364778.97374606 Initialization (9915.09635s) stopped
T12 >> 1462364778.99973798 SCF-cycle (120109.74836s) started
T12 >> 1462364778.99977303 LCAO eigensolver (60104.94825s) started
T12 >> 1462364778.99978590 Potential matrix (893.33816s) started
T12 << 1462364779.97648501 Potential matrix (894.31486s) stopped
T12 >> 1462364779.97656989 DistributedAtomicCorrection (384.14793s) started
T12 << 1462364780.41971707 DistributedAtomicCorrection (384.59108s) stopped
T12 >> 1462364780.41976190 Distribute overlap matrix (7089.45632s) started
T12 >> 1462364780.41979694 blocked summation (3966.10534s) started
T12 << 1462364785.35313797 blocked summation (3971.03868s) stopped
T12 >> 1462364785.36361790 Scalapack redistribute (3114.37657s) started
T12 << 1462364789.00772190 Scalapack redistribute (3118.02068s) stopped
T12 << 1462364789.00781107 Distribute overlap matrix (7098.04437s) stopped
T12 >> 1462364789.01355195 Blacs Orbital Layouts (50113.06165s) started
T12 >> 1462364789.02209401 General diagonalize (49917.22715s) started
T12 << 1462364845.00398493 General diagonalize (49973.20904s) stopped
T12 >> 1462364845.00403190 Redistribute coefs (7.69596s) started
T12 << 1462364845.01344299 Redistribute coefs (7.70537s) stopped
T12 >> 1462364845.01348400 Send coefs to domains (179.75838s) started
T12 << 1462364845.20575094 Send coefs to domains (179.95064s) stopped
T12 << 1462364845.20614100 Blacs Orbital Layouts (50169.25424s) stopped
T12 >> 1462364845.20617008 Calculate projections (1620.43371s) started
T12 << 1462364846.93109608 Calculate projections (1622.15864s) stopped
T12 << 1462364846.93151402 LCAO eigensolver (60172.87999s) stopped
T12 >> 1462364850.08793402 Density (14046.15671s) started
T12 >> 1462364850.08794999 Pseudo density (10805.80251s) started
T12 >> 1462364850.09029508 Calculate density matrix (10141.96272s) started
T12 << 1462364861.99041700 Calculate density matrix (10153.86284s) stopped
T12 >> 1462364861.99046612 Construct density (646.70372s) started
T12 << 1462364862.77371812 Construct density (647.48697s) stopped
T12 >> 1462364862.78768206 Symmetrize density (0.07268s) started
T12 << 1462364862.78774810 Symmetrize density (0.07275s) stopped
T12 << 1462364862.78973508 Pseudo density (10818.50429s) stopped
T12 >> 1462364862.78979707 Atomic density matrices (2865.41909s) started
T12 << 1462364866.39795089 Atomic density matrices (2869.02724s) stopped
T12 >> 1462364866.39798188 Multipole moments (11.12578s) started
T12 << 1462364866.41460991 Multipole moments (11.14241s) stopped
T12 >> 1462364866.41463399 Normalize (5.75715s) started
T12 << 1462364866.42083311 Normalize (5.76335s) stopped
T12 >> 1462364866.42092490 Mix (357.98383s) started
T12 << 1462364866.75964308 Mix (358.32255s) stopped
T12 << 1462364866.75970602 Density (14062.82848s) stopped
T12 >> 1462364866.75973392 Hamiltonian (43050.89252s) started
T12 >> 1462364866.75974894 vbar (22.65967s) started
T12 << 1462364866.78773093 vbar (22.68765s) stopped
T12 >> 1462364866.78784609 XC 3D grid (24010.25941s) started
T12 >> 1462364867.34681511 van der Waals (23187.67698s) started
T12 >> 1462364867.45615506 semilocal (4902.00157s) started
T12 << 1462364873.25072503 semilocal (4907.79614s) stopped
T12 >> 1462364873.33907890 redistribute (2488.53944s) started
T12 << 1462364874.32289696 redistribute (2489.52325s) stopped
T12 >> 1462364874.32296395 libvdwxc nonlocal (15635.39194s) started
T12 << 1462364892.60098410 libvdwxc nonlocal (15653.66996s) stopped
T12 >> 1462364892.60104203 redistribute (2489.52331s) started
T12 << 1462364894.28647590 redistribute (2491.20874s) stopped
T12 << 1462364894.28777790 van der Waals (23214.61795s) stopped
T12 << 1462364894.74048805 XC 3D grid (24038.21205s) stopped
T12 >> 1462364894.74052906 Poisson (4938.40867s) started
T12 << 1462364899.08062291 Poisson (4942.74876s) stopped
T12 >> 1462364899.08068609 Hartree integrate/restrict (317.15328s) started
T12 << 1462364899.12467909 Hartree integrate/restrict (317.19728s) stopped
T12 >> 1462364899.12473106 Hartree integrate/restrict (317.19731s) started
T12 << 1462364899.44778299 Hartree integrate/restrict (317.52036s) stopped
T12 >> 1462364899.44789290 Atomic (2027.06316s) started
T12 >> 1462364899.44976401 XC Correction (0.02816s) started
T12 << 1462364899.44978094 XC Correction (0.02817s) stopped
T12 << 1462364901.77515793 Atomic (2029.39042s) stopped
T12 >> 1462364901.77533603 Communicate (11735.02075s) started
T12 << 1462364921.67046309 Communicate (11754.91588s) stopped
T12 << 1462364921.67049909 Hamiltonian (43105.80329s) stopped
T12 >> 1462364921.67052388 LCAO eigensolver (60172.88001s) started
T12 >> 1462364921.67053699 Potential matrix (894.31491s) started
T12 << 1462364922.65603900 Potential matrix (895.30042s) stopped
T12 >> 1462364922.65611100 DistributedAtomicCorrection (384.59111s) started
T12 << 1462364923.10226393 DistributedAtomicCorrection (385.03727s) stopped
T12 >> 1462364923.10231209 Distribute overlap matrix (7098.04438s) started
T12 >> 1462364923.10234308 blocked summation (3971.03871s) started
T12 << 1462364927.98715091 blocked summation (3975.92352s) stopped
T12 >> 1462364927.99686694 Scalapack redistribute (3118.02072s) started
T12 << 1462364931.80858588 Scalapack redistribute (3121.83243s) stopped
T12 << 1462364931.80868006 Distribute overlap matrix (7106.75075s) stopped
T12 >> 1462364931.81268907 Blacs Orbital Layouts (50169.25426s) started
T12 >> 1462364931.82124901 General diagonalize (49973.20908s) started
T12 << 1462364985.18259311 General diagonalize (50026.57042s) stopped
T12 >> 1462364985.18265295 Redistribute coefs (7.70540s) started
T12 << 1462364985.19182611 Redistribute coefs (7.71457s) stopped
T12 >> 1462364985.19186711 Send coefs to domains (179.95068s) started
T12 << 1462364985.29737902 Send coefs to domains (180.05619s) stopped
T12 << 1462364985.29773498 Blacs Orbital Layouts (50222.73931s) stopped
T12 >> 1462364985.29776311 Calculate projections (1622.15872s) started
T12 << 1462364987.02289391 Calculate projections (1623.88385s) stopped
T12 << 1462364987.02327490 LCAO eigensolver (60238.23276s) stopped
T12 >> 1462364990.18144393 Density (14062.82849s) started
T12 >> 1462364990.18145895 Pseudo density (10818.50434s) started
T12 >> 1462364990.18370104 Calculate density matrix (10153.86288s) started
T12 << 1462365002.12058496 Calculate density matrix (10165.79976s) stopped
T12 >> 1462365002.12063289 Construct density (647.48702s) started
T12 << 1462365002.90375400 Construct density (648.27014s) stopped
T12 >> 1462365002.91841888 Symmetrize density (0.07277s) started
T12 << 1462365002.91848612 Symmetrize density (0.07283s) stopped
T12 << 1462365002.92045498 Pseudo density (10831.24334s) stopped
T12 >> 1462365002.92051291 Atomic density matrices (2869.02727s) started
T12 << 1462365006.50676608 Atomic density matrices (2872.61352s) stopped
T12 >> 1462365006.50680208 Multipole moments (11.14242s) started
T12 << 1462365006.52353907 Multipole moments (11.15916s) stopped
T12 >> 1462365006.52356911 Normalize (5.76342s) started
T12 << 1462365006.52999401 Normalize (5.76984s) stopped
T12 >> 1462365006.53010893 Mix (358.32262s) started
T12 << 1462365006.88197303 Mix (358.67448s) stopped
T12 << 1462365006.88208699 Density (14079.52913s) stopped
T12 >> 1462365006.88213396 Hamiltonian (43105.80330s) started
T12 >> 1462365006.88215399 vbar (22.68772s) started
T12 << 1462365006.91555905 vbar (22.72113s) stopped
T12 >> 1462365006.91568398 XC 3D grid (24038.21208s) started
T12 >> 1462365007.43125010 van der Waals (23214.61797s) started
T12 >> 1462365007.53774810 semilocal (4907.79624s) started
T12 << 1462365013.27315903 semilocal (4913.53165s) stopped
T12 >> 1462365013.36304307 redistribute (2491.20880s) started
T12 << 1462365014.39749193 redistribute (2492.24325s) stopped
T12 >> 1462365014.39753604 libvdwxc nonlocal (15653.67001s) started
T12 << 1462365032.59226704 libvdwxc nonlocal (15671.86474s) stopped
T12 >> 1462365032.59233308 redistribute (2492.24328s) started
T12 << 1462365034.36200190 redistribute (2494.01295s) stopped
T12 << 1462365034.36326599 van der Waals (23241.54999s) stopped
T12 << 1462365034.80970097 XC 3D grid (24066.10610s) stopped
T12 >> 1462365034.80974197 Poisson (4942.74881s) started
T12 << 1462365044.96367908 Poisson (4952.90275s) stopped
T12 >> 1462365044.96379590 Hartree integrate/restrict (317.52042s) started
T12 << 1462365045.00570893 Hartree integrate/restrict (317.56233s) stopped
T12 >> 1462365045.00587106 Hartree integrate/restrict (317.56246s) started
T12 << 1462365045.34852409 Hartree integrate/restrict (317.90511s) stopped
T12 >> 1462365045.34869409 Atomic (2029.39044s) started
T12 >> 1462365045.35120797 XC Correction (0.02819s) started
T12 << 1462365045.35124302 XC Correction (0.02822s) stopped
T12 << 1462365047.66840005 Atomic (2031.71015s) stopped
T12 >> 1462365047.66860509 Communicate (11754.91591s) started
T12 << 1462365067.55180907 Communicate (11774.79911s) stopped
T12 << 1462365067.55185199 Hamiltonian (43166.47302s) stopped
T12 >> 1462365067.55187893 LCAO eigensolver (60238.23278s) started
T12 >> 1462365067.55189204 Potential matrix (895.30046s) started
T12 << 1462365068.53935194 Potential matrix (896.28792s) stopped
T12 >> 1462365068.53943610 DistributedAtomicCorrection (385.03731s) started
T12 << 1462365068.98209310 DistributedAtomicCorrection (385.47996s) stopped
T12 >> 1462365068.98214102 Distribute overlap matrix (7106.75076s) started
T12 >> 1462365068.98217201 blocked summation (3975.92355s) started
T12 << 1462365073.84981704 blocked summation (3980.79119s) stopped
T12 >> 1462365073.86023808 Scalapack redistribute (3121.83250s) started
T12 << 1462365077.60599995 Scalapack redistribute (3125.57826s) stopped
T12 << 1462365077.60612106 Distribute overlap matrix (7115.37474s) stopped
T12 >> 1462365077.61068010 Blacs Orbital Layouts (50222.73933s) started
T12 >> 1462365077.62000203 General diagonalize (50026.57047s) started
T12 << 1462365132.65036798 General diagonalize (50081.60084s) stopped
T12 >> 1462365132.65041590 Redistribute coefs (7.71460s) started
T12 << 1462365132.65996099 Redistribute coefs (7.72415s) stopped
T12 >> 1462365132.66000104 Send coefs to domains (180.05622s) started
T12 << 1462365132.75148606 Send coefs to domains (180.14771s) stopped
T12 << 1462365132.75226092 Blacs Orbital Layouts (50277.88091s) stopped
T12 >> 1462365132.75229096 Calculate projections (1623.88390s) started
T12 << 1462365134.47858095 Calculate projections (1625.61019s) stopped
T12 << 1462365134.47908211 LCAO eigensolver (60305.15998s) stopped
T12 >> 1462365137.63088393 Density (14079.52915s) started
T12 >> 1462365137.63089895 Pseudo density (10831.24339s) started
T12 >> 1462365137.63267303 Calculate density matrix (10165.79980s) started
T12 << 1462365149.59268689 Calculate density matrix (10177.75981s) stopped
T12 >> 1462365149.59273505 Construct density (648.27019s) started
T12 << 1462365150.37574792 Construct density (649.05320s) stopped
T12 >> 1462365150.38993907 Symmetrize density (0.07285s) started
T12 << 1462365150.39000893 Symmetrize density (0.07292s) stopped
T12 << 1462365150.39209604 Pseudo density (10844.00458s) stopped
T12 >> 1462365150.39215398 Atomic density matrices (2872.61355s) started
T12 << 1462365153.98408794 Atomic density matrices (2876.20548s) stopped
T12 >> 1462365153.98411798 Multipole moments (11.15918s) started
T12 << 1462365154.00076294 Multipole moments (11.17582s) stopped
T12 >> 1462365154.00079989 Normalize (5.76993s) started
T12 << 1462365154.00704098 Normalize (5.77618s) stopped
T12 >> 1462365154.00712800 Mix (358.67459s) started
T12 << 1462365154.37237406 Mix (359.03984s) stopped
T12 << 1462365154.37244391 Density (14096.27071s) stopped
T12 >> 1462365154.37247491 Hamiltonian (43166.47303s) started
T12 >> 1462365154.37249207 vbar (22.72120s) started
T12 << 1462365154.39967608 vbar (22.74838s) stopped
T12 >> 1462365154.39976597 XC 3D grid (24066.10613s) started
T12 >> 1462365154.93306708 van der Waals (23241.55004s) started
T12 >> 1462365155.04379296 semilocal (4913.53178s) started
T12 << 1462365160.75891805 semilocal (4919.24690s) stopped
T12 >> 1462365160.83564210 redistribute (2494.01302s) started
T12 << 1462365161.90528393 redistribute (2495.08266s) stopped
T12 >> 1462365161.90534496 libvdwxc nonlocal (15671.86479s) started
T12 << 1462365180.74146891 libvdwxc nonlocal (15690.70091s) stopped
T12 >> 1462365180.74153399 redistribute (2495.08271s) started
T12 << 1462365182.52126598 redistribute (2496.86244s) stopped
T12 << 1462365182.52210903 van der Waals (23269.13908s) stopped
T12 << 1462365182.97785306 XC 3D grid (24094.68422s) stopped
T12 >> 1462365182.97790909 Poisson (4952.90283s) started
T12 << 1462365188.82885408 Poisson (4958.75378s) stopped
T12 >> 1462365188.82894802 Hartree integrate/restrict (317.90520s) started
T12 << 1462365188.88381791 Hartree integrate/restrict (317.96007s) stopped
T12 >> 1462365188.88387489 Hartree integrate/restrict (317.96010s) started
T12 << 1462365189.20186305 Hartree integrate/restrict (318.27809s) stopped
T12 >> 1462365189.20196700 Atomic (2031.71017s) started
T12 >> 1462365189.20373011 XC Correction (0.02824s) started
T12 << 1462365189.20374489 XC Correction (0.02825s) stopped
T12 << 1462365191.52852392 Atomic (2034.03673s) stopped
T12 >> 1462365191.52870297 Communicate (11774.79914s) started
T12 << 1462365211.34159589 Communicate (11794.61203s) stopped
T12 << 1462365211.34163404 Hamiltonian (43223.44219s) stopped
T12 >> 1462365211.34165812 LCAO eigensolver (60305.16000s) started
T12 >> 1462365211.34167194 Potential matrix (896.28797s) started
T12 << 1462365212.31670403 Potential matrix (897.26300s) stopped
T12 >> 1462365212.31677389 DistributedAtomicCorrection (385.48000s) started
T12 << 1462365212.75506091 DistributedAtomicCorrection (385.91829s) stopped
T12 >> 1462365212.75512004 Distribute overlap matrix (7115.37479s) started
T12 >> 1462365212.75514197 blocked summation (3980.79123s) started
T12 << 1462365217.63380098 blocked summation (3985.66989s) stopped
T12 >> 1462365217.64340496 Scalapack redistribute (3125.57833s) started
T12 << 1462365221.40218902 Scalapack redistribute (3129.33711s) stopped
T12 << 1462365221.40227008 Distribute overlap matrix (7124.02194s) stopped
T12 >> 1462365221.40654206 Blacs Orbital Layouts (50277.88093s) started
T12 >> 1462365221.41494012 General diagonalize (50081.60088s) started
T12 << 1462365275.08591795 General diagonalize (50135.27185s) stopped
T12 >> 1462365275.08596396 Redistribute coefs (7.72418s) started
T12 << 1462365275.09585500 Redistribute coefs (7.73407s) stopped
T12 >> 1462365275.09589601 Send coefs to domains (180.14774s) started
T12 << 1462365275.18336606 Send coefs to domains (180.23521s) stopped
T12 << 1462365275.18381000 Blacs Orbital Layouts (50331.65819s) stopped
T12 >> 1462365275.18383694 Calculate projections (1625.61024s) started
T12 << 1462365276.90933490 Calculate projections (1627.33574s) stopped
T12 << 1462365276.90969396 LCAO eigensolver (60370.72804s) stopped
T12 >> 1462365280.05550194 Density (14096.27072s) started
T12 >> 1462365280.05551791 Pseudo density (10844.00463s) started
T12 >> 1462365280.05739307 Calculate density matrix (10177.75985s) started
T12 << 1462365292.00414705 Calculate density matrix (10189.70660s) stopped
T12 >> 1462365292.00419402 Construct density (649.05326s) started
T12 << 1462365292.78719711 Construct density (649.83626s) stopped
T12 >> 1462365292.80119300 Symmetrize density (0.07294s) started
T12 << 1462365292.80125999 Symmetrize density (0.07300s) stopped
T12 << 1462365292.80333209 Pseudo density (10856.75244s) stopped
T12 >> 1462365292.80338812 Atomic density matrices (2876.20550s) started
T12 << 1462365296.45055389 Atomic density matrices (2879.85267s) stopped
T12 >> 1462365296.45058799 Multipole moments (11.17584s) started
T12 << 1462365296.46724796 Multipole moments (11.19250s) stopped
T12 >> 1462365296.46727896 Normalize (5.77624s) started
T12 << 1462365296.47358894 Normalize (5.78255s) stopped
T12 >> 1462365296.47364402 Mix (359.03991s) started
T12 << 1462365296.87668896 Mix (359.44295s) stopped
T12 << 1462365296.87675405 Density (14113.09198s) stopped
T12 >> 1462365296.87678003 Hamiltonian (43223.44220s) started
T12 >> 1462365296.87680006 vbar (22.74843s) started
T12 << 1462365296.89718795 vbar (22.76882s) stopped
T12 >> 1462365296.89725804 XC 3D grid (24094.68426s) started
T12 >> 1462365297.41424489 van der Waals (23269.13911s) started
T12 >> 1462365297.52395797 semilocal (4919.24702s) started
T12 << 1462365303.26295495 semilocal (4924.98602s) stopped
T12 >> 1462365303.33918810 redistribute (2496.86249s) started
T12 << 1462365304.39037800 redistribute (2497.91368s) stopped
T12 >> 1462365304.39042091 libvdwxc nonlocal (15690.70096s) started
T12 << 1462365323.34602690 libvdwxc nonlocal (15709.65657s) stopped
T12 >> 1462365323.34609103 redistribute (2497.91371s) started
T12 << 1462365325.04657197 redistribute (2499.61419s) stopped
T12 << 1462365325.04742908 van der Waals (23296.77229s) stopped
T12 << 1462365325.49899197 XC 3D grid (24123.28600s) stopped
T12 >> 1462365325.49904799 Poisson (4958.75385s) started
T12 << 1462365331.41137195 Poisson (4964.66618s) stopped
T12 >> 1462365331.41146493 Hartree integrate/restrict (318.27814s) started
T12 << 1462365331.46230507 Hartree integrate/restrict (318.32898s) stopped
T12 >> 1462365331.46240807 Hartree integrate/restrict (318.32906s) started
T12 << 1462365331.77878094 Hartree integrate/restrict (318.64543s) stopped
T12 >> 1462365331.77888393 Atomic (2034.03675s) started
T12 >> 1462365331.78063011 XC Correction (0.02826s) started
T12 << 1462365331.78064489 XC Correction (0.02828s) stopped
T12 << 1462365334.10562301 Atomic (2036.36349s) stopped
T12 >> 1462365334.10579705 Communicate (11794.61206s) started
T12 << 1462365353.44305301 Communicate (11813.94931s) stopped
T12 << 1462365353.44308996 Hamiltonian (43280.00851s) stopped
T12 >> 1462365353.44311500 LCAO eigensolver (60370.72806s) started
T12 >> 1462365353.44314909 Potential matrix (897.26304s) started
T12 << 1462365354.41774988 Potential matrix (898.23764s) stopped
T12 >> 1462365354.41782403 DistributedAtomicCorrection (385.91833s) started
T12 << 1462365354.85843301 DistributedAtomicCorrection (386.35894s) stopped
T12 >> 1462365354.85849094 Distribute overlap matrix (7124.02195s) started
T12 >> 1462365354.85851192 blocked summation (3985.66992s) started
T12 << 1462365359.79065800 blocked summation (3990.60206s) stopped
T12 >> 1462365359.79956388 Scalapack redistribute (3129.33715s) started
T12 << 1462365363.56616402 Scalapack redistribute (3133.10375s) stopped
T12 << 1462365363.56624889 Distribute overlap matrix (7132.72970s) stopped
T12 >> 1462365363.57062697 Blacs Orbital Layouts (50331.65821s) started
T12 >> 1462365363.57904792 General diagonalize (50135.27189s) started
T12 << 1462365417.74348807 General diagonalize (50189.43633s) stopped
T12 >> 1462365417.74353290 Redistribute coefs (7.73410s) started
T12 << 1462365417.75275707 Redistribute coefs (7.74333s) stopped
T12 >> 1462365417.75280190 Send coefs to domains (180.23524s) started
T12 << 1462365418.12413502 Send coefs to domains (180.60658s) stopped
T12 << 1462365418.12460208 Blacs Orbital Layouts (50386.21219s) stopped
T12 >> 1462365418.12463307 Calculate projections (1627.33580s) started
T12 << 1462365419.84988499 Calculate projections (1629.06105s) stopped
T12 << 1462365419.85007095 LCAO eigensolver (60437.13501s) stopped
T12 >> 1462365423.00351501 Density (14113.09199s) started
T12 >> 1462365423.00353098 Pseudo density (10856.75249s) started
T12 >> 1462365423.00581193 Calculate density matrix (10189.70663s) started
T12 << 1462365434.84414005 Calculate density matrix (10201.54496s) stopped
T12 >> 1462365434.84418702 Construct density (649.83631s) started
T12 << 1462365435.62598109 Construct density (650.61810s) stopped
T12 >> 1462365435.63986707 Symmetrize density (0.07302s) started
T12 << 1462365435.63993192 Symmetrize density (0.07308s) stopped
T12 << 1462365435.64201188 Pseudo density (10869.39097s) stopped
T12 >> 1462365435.64206791 Atomic density matrices (2879.85269s) started
T12 << 1462365439.31392407 Atomic density matrices (2883.52455s) stopped
T12 >> 1462365439.31395793 Multipole moments (11.19252s) started
T12 << 1462365439.33066797 Multipole moments (11.20923s) stopped
T12 >> 1462365439.33069897 Normalize (5.78260s) started
T12 << 1462365439.33756399 Normalize (5.78946s) stopped
T12 >> 1462365439.33766890 Mix (359.44301s) started
T12 << 1462365439.78018904 Mix (359.88554s) stopped
T12 << 1462365439.78027391 Density (14129.86875s) stopped
T12 >> 1462365439.78030705 Hamiltonian (43280.00852s) started
T12 >> 1462365439.78032303 vbar (22.76885s) started
T12 << 1462365439.80688310 vbar (22.79541s) stopped
T12 >> 1462365439.80695200 XC 3D grid (24123.28604s) started
T12 >> 1462365440.31235695 van der Waals (23296.77232s) started
T12 >> 1462365440.42182398 semilocal (4924.98613s) started
T12 << 1462365446.19841695 semilocal (4930.76272s) stopped
T12 >> 1462365446.28197193 redistribute (2499.61424s) started
T12 << 1462365447.29226995 redistribute (2500.62454s) stopped
T12 >> 1462365447.29232693 libvdwxc nonlocal (15709.65662s) started
T12 << 1462365466.13067508 libvdwxc nonlocal (15728.49496s) stopped
T12 >> 1462365466.13073993 redistribute (2500.62457s) started
T12 << 1462365467.97800994 redistribute (2502.47184s) stopped
T12 << 1462365467.98024797 van der Waals (23324.44021s) stopped
T12 << 1462365468.42206502 XC 3D grid (24151.90115s) stopped
T12 >> 1462365468.42210507 Poisson (4964.66625s) started
T12 << 1462365474.30562997 Poisson (4970.54977s) stopped
T12 >> 1462365474.30569696 Hartree integrate/restrict (318.64548s) started
T12 << 1462365474.35587597 Hartree integrate/restrict (318.69566s) stopped
T12 >> 1462365474.35591888 Hartree integrate/restrict (318.69569s) started
T12 << 1462365474.69594097 Hartree integrate/restrict (319.03571s) stopped
T12 >> 1462365474.69603896 Atomic (2036.36352s) started
T12 >> 1462365474.69780707 XC Correction (0.02829s) started
T12 << 1462365474.69782209 XC Correction (0.02830s) stopped
T12 << 1462365477.03383398 Atomic (2038.70131s) stopped
T12 >> 1462365477.03399897 Communicate (11813.94934s) started
T12 << 1462365495.63008595 Communicate (11832.54543s) stopped
T12 << 1462365495.63012409 Hamiltonian (43335.85834s) stopped
T12 >> 1462365495.63015008 LCAO eigensolver (60437.13503s) started
T12 >> 1462365495.63016391 Potential matrix (898.23769s) started
T12 << 1462365496.61906791 Potential matrix (899.22659s) stopped
T12 >> 1462365496.61913800 DistributedAtomicCorrection (386.35898s) started
T12 << 1462365497.06148696 DistributedAtomicCorrection (386.80133s) stopped
T12 >> 1462365497.06154895 Distribute overlap matrix (7132.72972s) started
T12 >> 1462365497.06157088 blocked summation (3990.60209s) started
T12 << 1462365502.03293610 blocked summation (3995.57346s) stopped
T12 >> 1462365502.04228210 Scalapack redistribute (3133.10381s) started
T12 << 1462365505.68774891 Scalapack redistribute (3136.74928s) stopped
T12 << 1462365505.68785501 Distribute overlap matrix (7141.35602s) stopped
T12 >> 1462365505.69220591 Blacs Orbital Layouts (50386.21221s) started
T12 >> 1462365505.70114398 General diagonalize (50189.43637s) started
T12 << 1462365562.92695403 General diagonalize (50246.66218s) stopped
T12 >> 1462365562.92700195 Redistribute coefs (7.74336s) started
T12 << 1462365562.93649006 Redistribute coefs (7.75285s) stopped
T12 >> 1462365562.93653011 Send coefs to domains (180.60661s) started
T12 << 1462365563.08670211 Send coefs to domains (180.75678s) stopped
T12 << 1462365563.08746290 Blacs Orbital Layouts (50443.60746s) stopped
T12 >> 1462365563.08749509 Calculate projections (1629.06110s) started
T12 << 1462365564.81275606 Calculate projections (1630.78636s) stopped
T12 << 1462365564.81312394 LCAO eigensolver (60506.31800s) stopped
T12 >> 1462365567.98849893 Density (14129.86876s) started
T12 >> 1462365567.98851395 Pseudo density (10869.39102s) started
T12 >> 1462365567.99074197 Calculate density matrix (10201.54500s) started
T12 << 1462365580.08205295 Calculate density matrix (10213.63631s) stopped
T12 >> 1462365580.08210301 Construct density (650.61815s) started
T12 << 1462365580.86481500 Construct density (651.40086s) stopped
T12 >> 1462365580.87891507 Symmetrize density (0.07310s) started
T12 << 1462365580.87897992 Symmetrize density (0.07316s) stopped
T12 << 1462365580.88104796 Pseudo density (10882.28355s) stopped
T12 >> 1462365580.88110590 Atomic density matrices (2883.52457s) started
T12 << 1462365584.46820211 Atomic density matrices (2887.11167s) stopped
T12 >> 1462365584.46823597 Multipole moments (11.20924s) started
T12 << 1462365584.48485208 Multipole moments (11.22586s) stopped
T12 >> 1462365584.48488212 Normalize (5.78955s) started
T12 << 1462365584.49102497 Normalize (5.79569s) stopped
T12 >> 1462365584.49110389 Mix (359.88562s) started
T12 << 1462365584.92172289 Mix (360.31624s) stopped
T12 << 1462365584.92182493 Density (14146.80209s) stopped
T12 >> 1462365584.92186403 Hamiltonian (43335.85836s) started
T12 >> 1462365584.92188406 vbar (22.79545s) started
T12 << 1462365584.94510603 vbar (22.81867s) stopped
T12 >> 1462365584.94520998 XC 3D grid (24151.90119s) started
T12 >> 1462365585.45808411 van der Waals (23324.44029s) started
T12 >> 1462365585.56454802 semilocal (4930.76282s) started
T12 << 1462365591.30890894 semilocal (4936.50718s) stopped
T12 >> 1462365591.39370990 redistribute (2502.47194s) started
T12 << 1462365592.40024209 redistribute (2503.47848s) stopped
T12 >> 1462365592.40031195 libvdwxc nonlocal (15728.49501s) started
T12 << 1462365611.06947088 libvdwxc nonlocal (15747.16417s) stopped
T12 >> 1462365611.06953692 redistribute (2503.47853s) started
T12 << 1462365612.85120702 redistribute (2505.26020s) stopped
T12 << 1462365612.85272408 van der Waals (23351.83493s) stopped
T12 << 1462365613.29639602 XC 3D grid (24180.25237s) stopped
T12 >> 1462365613.29645610 Poisson (4970.54982s) started
T12 << 1462365617.80944204 Poisson (4975.06281s) stopped
T12 >> 1462365617.80956697 Hartree integrate/restrict (319.03577s) started
T12 << 1462365617.86796188 Hartree integrate/restrict (319.09416s) stopped
T12 >> 1462365617.86808205 Hartree integrate/restrict (319.09426s) started
T12 << 1462365618.21865201 Hartree integrate/restrict (319.44483s) stopped
T12 >> 1462365618.21875405 Atomic (2038.70133s) started
T12 >> 1462365618.22069001 XC Correction (0.02831s) started
T12 << 1462365618.22071695 XC Correction (0.02834s) stopped
T12 << 1462365620.54805207 Atomic (2041.03063s) stopped
T12 >> 1462365620.54821491 Communicate (11832.54545s) started
T12 << 1462365639.14159393 Communicate (11851.13883s) stopped
T12 << 1462365639.14163089 Hamiltonian (43390.07812s) stopped
T12 >> 1462365639.14165711 LCAO eigensolver (60506.31802s) started
T12 >> 1462365639.14166999 Potential matrix (899.22663s) started
T12 << 1462365640.11942291 Potential matrix (900.20438s) stopped
T12 >> 1462365640.11949492 DistributedAtomicCorrection (386.80137s) started
T12 << 1462365640.56323600 DistributedAtomicCorrection (387.24511s) stopped
T12 >> 1462365640.56329799 Distribute overlap matrix (7141.35604s) started
T12 >> 1462365640.56331897 blocked summation (3995.57349s) started
T12 << 1462365645.44310403 blocked summation (4000.45327s) stopped
T12 >> 1462365645.45302510 Scalapack redistribute (3136.74934s) started
T12 << 1462365649.16596699 Scalapack redistribute (3140.46228s) stopped
T12 << 1462365649.16607499 Distribute overlap matrix (7149.95881s) stopped
T12 >> 1462365649.17095709 Blacs Orbital Layouts (50443.60748s) started
T12 >> 1462365649.17952490 General diagonalize (50246.66222s) started
T12 << 1462365705.47705197 General diagonalize (50302.95974s) stopped
T12 >> 1462365705.47710490 Redistribute coefs (7.75288s) started
T12 << 1462365705.48706293 Redistribute coefs (7.76284s) stopped
T12 >> 1462365705.48711109 Send coefs to domains (180.75681s) started
T12 << 1462365705.64300799 Send coefs to domains (180.91271s) stopped
T12 << 1462365705.64373994 Blacs Orbital Layouts (50500.08027s) stopped
T12 >> 1462365705.64377689 Calculate projections (1630.78642s) started
T12 << 1462365707.38664293 Calculate projections (1632.52928s) stopped
T12 << 1462365707.38717198 LCAO eigensolver (60574.56354s) stopped
T12 >> 1462365710.54032993 Density (14146.80210s) started
T12 >> 1462365710.54034710 Pseudo density (10882.28360s) started
T12 >> 1462365710.54340005 Calculate density matrix (10213.63634s) started
T12 << 1462365722.57022810 Calculate density matrix (10225.66317s) stopped
T12 >> 1462365722.57028389 Construct density (651.40091s) started
T12 << 1462365723.35594106 Construct density (652.18657s) stopped
T12 >> 1462365723.37238598 Symmetrize density (0.07318s) started
T12 << 1462365723.37245989 Symmetrize density (0.07325s) stopped
T12 << 1462365723.37491798 Pseudo density (10895.11817s) stopped
T12 >> 1462365723.37498689 Atomic density matrices (2887.11170s) started
T12 << 1462365726.96669602 Atomic density matrices (2890.70340s) stopped
T12 >> 1462365726.96673393 Multipole moments (11.22588s) started
T12 << 1462365726.98337102 Multipole moments (11.24251s) stopped
T12 >> 1462365726.98340607 Normalize (5.79575s) started
T12 << 1462365726.99119902 Normalize (5.80354s) stopped
T12 >> 1462365726.99124789 Mix (360.31634s) started
T12 << 1462365727.43042207 Mix (360.75551s) stopped
T12 << 1462365727.43048000 Density (14163.69225s) stopped
T12 >> 1462365727.43050694 Hamiltonian (43390.07814s) started
T12 >> 1462365727.43052197 vbar (22.81873s) started
T12 << 1462365727.45543098 vbar (22.84364s) stopped
T12 >> 1462365727.45560193 XC 3D grid (24180.25242s) started
T12 >> 1462365727.95998096 van der Waals (23351.83500s) started
T12 >> 1462365728.07240796 semilocal (4936.50728s) started
T12 << 1462365733.78302598 semilocal (4942.21790s) stopped
T12 >> 1462365733.86769295 redistribute (2505.26029s) started
T12 << 1462365734.96651101 redistribute (2506.35910s) stopped
T12 >> 1462365734.96656108 libvdwxc nonlocal (15747.16422s) started
T12 << 1462365753.18899703 libvdwxc nonlocal (15765.38666s) stopped
T12 >> 1462365753.18907499 redistribute (2506.35914s) started
T12 << 1462365755.20638800 redistribute (2508.37645s) stopped
T12 << 1462365755.20807004 van der Waals (23379.08309s) stopped
T12 << 1462365755.64843297 XC 3D grid (24208.44525s) stopped
T12 >> 1462365755.64847898 Poisson (4975.06290s) started
T12 << 1462365759.99037695 Poisson (4979.40480s) stopped
T12 >> 1462365759.99053597 Hartree integrate/restrict (319.44489s) started
T12 << 1462365760.02828312 Hartree integrate/restrict (319.48264s) stopped
T12 >> 1462365760.02841711 Hartree integrate/restrict (319.48273s) started
T12 << 1462365760.38712406 Hartree integrate/restrict (319.84143s) stopped
T12 >> 1462365760.38723707 Atomic (2041.03066s) started
T12 >> 1462365760.38916993 XC Correction (0.02835s) started
T12 << 1462365760.38918591 XC Correction (0.02837s) stopped
T12 << 1462365762.71887302 Atomic (2043.36229s) stopped
T12 >> 1462365762.71904612 Communicate (11851.13886s) started
T12 << 1462365781.33899093 Communicate (11869.75880s) stopped
T12 << 1462365781.33903599 Hamiltonian (43443.98667s) stopped
T12 >> 1462365781.33906388 LCAO eigensolver (60574.56356s) started
T12 >> 1462365781.33907795 Potential matrix (900.20443s) started
T12 << 1462365782.32675004 Potential matrix (901.19210s) stopped
T12 >> 1462365782.32685089 DistributedAtomicCorrection (387.24515s) started
T12 << 1462365782.77814007 DistributedAtomicCorrection (387.69644s) stopped
T12 >> 1462365782.77820802 Distribute overlap matrix (7149.95883s) started
T12 >> 1462365782.77823305 blocked summation (4000.45331s) started
T12 << 1462365787.68257594 blocked summation (4005.35765s) stopped
T12 >> 1462365787.69232392 Scalapack redistribute (3140.46234s) started
T12 << 1462365791.42646909 Scalapack redistribute (3144.19649s) stopped
T12 << 1462365791.42658091 Distribute overlap matrix (7158.60720s) stopped
T12 >> 1462365791.43140197 Blacs Orbital Layouts (50500.08029s) started
T12 >> 1462365791.44011092 General diagonalize (50302.95979s) started
T12 << 1462365845.72359991 General diagonalize (50357.24327s) stopped
T12 >> 1462365845.72365189 Redistribute coefs (7.76287s) started
T12 << 1462365845.73349690 Redistribute coefs (7.77272s) stopped
T12 >> 1462365845.73354602 Send coefs to domains (180.91275s) started
T12 << 1462365846.17677593 Send coefs to domains (181.35598s) stopped
T12 << 1462365846.17735791 Blacs Orbital Layouts (50554.82624s) stopped
T12 >> 1462365846.17739201 Calculate projections (1632.52935s) started
T12 << 1462365847.91956997 Calculate projections (1634.27152s) stopped
T12 << 1462365847.91997099 LCAO eigensolver (60641.14446s) stopped
T12 >> 1462365851.05506802 Density (14163.69227s) started
T12 >> 1462365851.05508399 Pseudo density (10895.11822s) started
T12 >> 1462365851.05767107 Calculate density matrix (10225.66321s) started
T12 << 1462365863.02215910 Calculate density matrix (10237.62770s) stopped
T12 >> 1462365863.02221608 Construct density (652.18663s) started
T12 << 1462365863.80648303 Construct density (652.97090s) stopped
T12 >> 1462365863.82291508 Symmetrize density (0.07327s) started
T12 << 1462365863.82299209 Symmetrize density (0.07335s) stopped
T12 << 1462365863.82545304 Pseudo density (10907.88859s) stopped
T12 >> 1462365863.82552195 Atomic density matrices (2890.70343s) started
T12 << 1462365867.33863997 Atomic density matrices (2894.21655s) stopped
T12 >> 1462365867.33867693 Multipole moments (11.24253s) started
T12 << 1462365867.35554099 Multipole moments (11.25940s) stopped
T12 >> 1462365867.35557604 Normalize (5.80357s) started
T12 << 1462365867.36244988 Normalize (5.81045s) stopped
T12 >> 1462365867.36249495 Mix (360.75557s) started
T12 << 1462365867.82435012 Mix (361.21742s) stopped
T12 << 1462365867.82443404 Density (14180.46163s) stopped
T12 >> 1462365867.82447505 Hamiltonian (43443.98668s) started
T12 >> 1462365867.82449293 vbar (22.84373s) started
T12 << 1462365867.85407090 vbar (22.87331s) stopped
T12 >> 1462365867.85427499 XC 3D grid (24208.44529s) started
T12 >> 1462365868.33530211 van der Waals (23379.08313s) started
T12 >> 1462365868.44789910 semilocal (4942.21803s) started
T12 << 1462365874.21743894 semilocal (4947.98757s) stopped
T12 >> 1462365874.29190111 redistribute (2508.37650s) started
T12 << 1462365875.33106208 redistribute (2509.41566s) stopped
T12 >> 1462365875.33112597 libvdwxc nonlocal (15765.38672s) started
T12 << 1462365893.51924396 libvdwxc nonlocal (15783.57483s) stopped
T12 >> 1462365893.51932907 redistribute (2509.41570s) started
T12 << 1462365895.67348790 redistribute (2511.56986s) stopped
T12 << 1462365895.67446709 van der Waals (23406.42229s) stopped
T12 << 1462365896.13009596 XC 3D grid (24236.72111s) stopped
T12 >> 1462365896.13015890 Poisson (4979.40492s) started
T12 << 1462365900.46116900 Poisson (4983.73593s) stopped
T12 >> 1462365900.46124291 Hartree integrate/restrict (319.84149s) started
T12 << 1462365900.50007296 Hartree integrate/restrict (319.88032s) stopped
T12 >> 1462365900.50022507 Hartree integrate/restrict (319.88042s) started
T12 << 1462365900.82599211 Hartree integrate/restrict (320.20619s) stopped
T12 >> 1462365900.82609510 Atomic (2043.36232s) started
T12 >> 1462365900.82795000 XC Correction (0.02838s) started
T12 << 1462365900.82796907 XC Correction (0.02840s) stopped
T12 << 1462365903.15603805 Atomic (2045.69226s) stopped
T12 >> 1462365903.15620303 Communicate (11869.75883s) started
T12 << 1462365921.85670805 Communicate (11888.45934s) stopped
T12 << 1462365921.85675192 Hamiltonian (43498.01896s) stopped
T12 >> 1462365921.85677910 LCAO eigensolver (60641.14448s) started
T12 >> 1462365921.85679197 Potential matrix (901.19215s) started
T12 << 1462365922.83845592 Potential matrix (902.17382s) stopped
T12 >> 1462365922.83855104 DistributedAtomicCorrection (387.69648s) started
T12 << 1462365923.29618311 DistributedAtomicCorrection (388.15411s) stopped
T12 >> 1462365923.29625201 Distribute overlap matrix (7158.60721s) started
T12 >> 1462365923.29627490 blocked summation (4005.35768s) started
T12 << 1462365928.22479391 blocked summation (4010.28620s) stopped
T12 >> 1462365928.23429298 Scalapack redistribute (3144.19655s) started
T12 << 1462365932.01538992 Scalapack redistribute (3147.97765s) stopped
T12 << 1462365932.01551604 Distribute overlap matrix (7167.32648s) stopped
T12 >> 1462365932.02022910 Blacs Orbital Layouts (50554.82626s) started
T12 >> 1462365932.02902699 General diagonalize (50357.24332s) started
T12 << 1462365987.83847594 General diagonalize (50413.05277s) stopped
T12 >> 1462365987.83852410 Redistribute coefs (7.77276s) started
T12 << 1462365987.84846997 Redistribute coefs (7.78270s) stopped
T12 >> 1462365987.84851003 Send coefs to domains (181.35602s) started
T12 << 1462365988.06649303 Send coefs to domains (181.57400s) stopped
T12 << 1462365988.06701207 Blacs Orbital Layouts (50610.87304s) stopped
T12 >> 1462365988.06704402 Calculate projections (1634.27157s) started
T12 << 1462365989.80230808 Calculate projections (1636.00684s) stopped
T12 << 1462365989.80276394 LCAO eigensolver (60709.09047s) stopped
T12 >> 1462365992.93971491 Density (14180.46165s) started
T12 >> 1462365992.93972993 Pseudo density (10907.88865s) started
T12 >> 1462365992.94220090 Calculate density matrix (10237.62774s) started
T12 << 1462366004.87899208 Calculate density matrix (10249.56453s) stopped
T12 >> 1462366004.87904096 Construct density (652.97095s) started
T12 << 1462366005.66237497 Construct density (653.75429s) stopped
T12 >> 1462366005.67650604 Symmetrize density (0.07337s) started
T12 << 1462366005.67656803 Symmetrize density (0.07343s) stopped
T12 << 1462366005.67863488 Pseudo density (10920.62755s) stopped
T12 >> 1462366005.67869210 Atomic density matrices (2894.21658s) started
T12 << 1462366009.32939410 Atomic density matrices (2897.86728s) stopped
T12 >> 1462366009.32942796 Multipole moments (11.25941s) started
T12 << 1462366009.34613705 Multipole moments (11.27612s) stopped
T12 >> 1462366009.34616804 Normalize (5.81048s) started
T12 << 1462366009.35255694 Normalize (5.81687s) stopped
T12 >> 1462366009.35264111 Mix (361.21750s) started
T12 << 1462366009.77359509 Mix (361.63846s) stopped
T12 << 1462366009.77366400 Density (14197.29560s) stopped
T12 >> 1462366009.77369499 Hamiltonian (43498.01897s) started
T12 >> 1462366009.77371192 vbar (22.87342s) started
T12 << 1462366009.80245996 vbar (22.90216s) stopped
T12 >> 1462366009.80259490 XC 3D grid (24236.72116s) started
T12 >> 1462366010.31791401 van der Waals (23406.42232s) started
T12 >> 1462366010.42981195 semilocal (4947.98764s) started
T12 << 1462366016.23627996 semilocal (4953.79411s) stopped
T12 >> 1462366016.30859804 redistribute (2511.56992s) started
T12 << 1462366017.27179790 redistribute (2512.53312s) stopped
T12 >> 1462366017.27185392 libvdwxc nonlocal (15783.57490s) started
T12 << 1462366036.24064302 libvdwxc nonlocal (15802.54369s) stopped
T12 >> 1462366036.24070597 redistribute (2512.53315s) started
T12 << 1462366037.92600608 redistribute (2514.21845s) stopped
T12 << 1462366037.92708492 van der Waals (23434.03149s) stopped
T12 << 1462366038.38072109 XC 3D grid (24265.29929s) stopped
T12 >> 1462366038.38077807 Poisson (4983.73598s) started
T12 << 1462366042.81327009 Poisson (4988.16847s) stopped
T12 >> 1462366042.81334710 Hartree integrate/restrict (320.20624s) started
T12 << 1462366042.85943890 Hartree integrate/restrict (320.25233s) stopped
T12 >> 1462366042.85947990 Hartree integrate/restrict (320.25236s) started
T12 << 1462366043.17813706 Hartree integrate/restrict (320.57102s) stopped
T12 >> 1462366043.17823601 Atomic (2045.69229s) started
T12 >> 1462366043.17996597 XC Correction (0.02841s) started
T12 << 1462366043.17998099 XC Correction (0.02842s) stopped
T12 << 1462366045.50792289 Atomic (2048.02198s) stopped
T12 >> 1462366045.50806594 Communicate (11888.45937s) started
T12 << 1462366064.22147202 Communicate (11907.17277s) stopped
T12 << 1462366064.22150397 Hamiltonian (43552.46678s) stopped
T12 >> 1462366064.22152805 LCAO eigensolver (60709.09049s) started
T12 >> 1462366064.22154093 Potential matrix (902.17387s) started
T12 << 1462366065.20538402 Potential matrix (903.15771s) stopped
T12 >> 1462366065.20545697 DistributedAtomicCorrection (388.15415s) started
T12 << 1462366065.64259911 DistributedAtomicCorrection (388.59129s) stopped
T12 >> 1462366065.64265704 Distribute overlap matrix (7167.32649s) started
T12 >> 1462366065.64267802 blocked summation (4010.28624s) started
T12 << 1462366070.55701590 blocked summation (4015.20058s) stopped
T12 >> 1462366070.56661105 Scalapack redistribute (3147.97772s) started
T12 << 1462366074.49238801 Scalapack redistribute (3151.90349s) stopped
T12 << 1462366074.49248910 Distribute overlap matrix (7176.17632s) stopped
T12 >> 1462366074.49697804 Blacs Orbital Layouts (50610.87306s) started
T12 >> 1462366074.50564909 General diagonalize (50413.05281s) started
T12 << 1462366129.89662910 General diagonalize (50468.44379s) stopped
T12 >> 1462366129.89667702 Redistribute coefs (7.78273s) started
T12 << 1462366129.90619612 Redistribute coefs (7.79225s) stopped
T12 >> 1462366129.90623689 Send coefs to domains (181.57404s) started
T12 << 1462366130.15909004 Send coefs to domains (181.82689s) stopped
T12 << 1462366130.15941501 Blacs Orbital Layouts (50666.53550s) stopped
T12 >> 1462366130.15944791 Calculate projections (1636.00688s) started
T12 << 1462366131.89449000 Calculate projections (1637.74192s) stopped
T12 << 1462366131.89484811 LCAO eigensolver (60776.76381s) stopped
T12 >> 1462366135.03167701 Density (14197.29562s) started
T12 >> 1462366135.03169298 Pseudo density (10920.62760s) started
T12 >> 1462366135.03389907 Calculate density matrix (10249.56456s) started
T12 << 1462366147.03096390 Calculate density matrix (10261.56163s) stopped
T12 >> 1462366147.03101301 Construct density (653.75434s) started
T12 << 1462366147.81316900 Construct density (654.53649s) stopped
T12 >> 1462366147.82733488 Symmetrize density (0.07345s) started
T12 << 1462366147.82739902 Symmetrize density (0.07351s) stopped
T12 << 1462366147.82948804 Pseudo density (10933.42539s) stopped
T12 >> 1462366147.82954597 Atomic density matrices (2897.86730s) started
T12 << 1462366151.41691804 Atomic density matrices (2901.45467s) stopped
T12 >> 1462366151.41695094 Multipole moments (11.27614s) started
T12 << 1462366151.43363810 Multipole moments (11.29283s) stopped
T12 >> 1462366151.43367004 Normalize (5.81694s) started
T12 << 1462366151.43999791 Normalize (5.82326s) stopped
T12 >> 1462366151.44004512 Mix (361.63852s) started
T12 << 1462366151.83776402 Mix (362.03624s) stopped
T12 << 1462366151.83783507 Density (14214.10177s) stopped
T12 >> 1462366151.83786607 Hamiltonian (43552.46679s) started
T12 >> 1462366151.83788300 vbar (22.90225s) started
T12 << 1462366151.85761499 vbar (22.92198s) stopped
T12 >> 1462366151.85770893 XC 3D grid (24265.29933s) started
T12 >> 1462366152.49666500 van der Waals (23434.03152s) started
T12 >> 1462366152.60433507 semilocal (4953.79417s) started
T12 << 1462366158.37388706 semilocal (4959.56373s) stopped
T12 >> 1462366158.44632697 redistribute (2514.21849s) started
T12 << 1462366159.46172690 redistribute (2515.23389s) stopped
T12 >> 1462366159.46176910 libvdwxc nonlocal (15802.54374s) started
T12 << 1462366178.04648995 libvdwxc nonlocal (15821.12846s) stopped
T12 >> 1462366178.04655504 redistribute (2515.23392s) started
T12 << 1462366179.78116298 redistribute (2516.96853s) stopped
T12 << 1462366179.78245592 van der Waals (23461.31732s) stopped
T12 << 1462366180.24806905 XC 3D grid (24293.68969s) stopped
T12 >> 1462366180.24811006 Poisson (4988.16853s) started
T12 << 1462366183.20273495 Poisson (4991.12316s) stopped
T12 >> 1462366183.20281506 Hartree integrate/restrict (320.57107s) started
T12 << 1462366183.25228691 Hartree integrate/restrict (320.62054s) stopped
T12 >> 1462366183.25232911 Hartree integrate/restrict (320.62056s) started
T12 << 1462366183.57220888 Hartree integrate/restrict (320.94044s) stopped
T12 >> 1462366183.57229590 Atomic (2048.02200s) started
T12 >> 1462366183.57397294 XC Correction (0.02843s) started
T12 << 1462366183.57398701 XC Correction (0.02845s) stopped
T12 << 1462366185.90196300 Atomic (2050.35166s) stopped
T12 >> 1462366185.90209603 Communicate (11907.17279s) started
T12 << 1462366204.61777902 Communicate (11925.88848s) stopped
T12 << 1462366204.61781907 Hamiltonian (43605.24674s) stopped
T12 >> 1462366204.61784506 LCAO eigensolver (60776.76383s) started
T12 >> 1462366204.61785889 Potential matrix (903.15776s) started
T12 << 1462366205.59323311 Potential matrix (904.13313s) stopped
T12 >> 1462366205.59330702 DistributedAtomicCorrection (388.59133s) started
T12 << 1462366206.03585100 DistributedAtomicCorrection (389.03387s) stopped
T12 >> 1462366206.03590989 Distribute overlap matrix (7176.17634s) started
T12 >> 1462366206.03593111 blocked summation (4015.20061s) started
T12 << 1462366211.02329898 blocked summation (4020.18798s) stopped
T12 >> 1462366211.03278995 Scalapack redistribute (3151.90356s) started
T12 << 1462366214.77566695 Scalapack redistribute (3155.64643s) stopped
T12 << 1462366214.77576494 Distribute overlap matrix (7184.91619s) stopped
T12 >> 1462366214.77997303 Blacs Orbital Layouts (50666.53552s) started
T12 >> 1462366214.78841496 General diagonalize (50468.44383s) started
T12 << 1462366268.17125392 General diagonalize (50521.82666s) stopped
T12 >> 1462366268.17129898 Redistribute coefs (7.79228s) started
T12 << 1462366268.18046689 Redistribute coefs (7.80145s) stopped
T12 >> 1462366268.18050790 Send coefs to domains (181.82692s) started
T12 << 1462366268.30531693 Send coefs to domains (181.95173s) stopped
T12 << 1462366268.30581403 Blacs Orbital Layouts (50720.06136s) stopped
T12 >> 1462366268.30584598 Calculate projections (1637.74197s) started
T12 << 1462366270.04103589 Calculate projections (1639.47716s) stopped
T12 << 1462366270.04142094 LCAO eigensolver (60842.18741s) stopped
T12 << 1462366273.20400095 SCF-cycle (121603.95262s) stopped
T12 >> 1462366275.28022408 Force calculation (5889.00901s) started
T12 >> 1462366275.28029990 LCAO forces (5825.52544s) started
T12 >> 1462366275.28065610 Initial (0.00167s) started
T12 << 1462366275.28066802 Initial (0.00168s) stopped
T12 >> 1462366275.28757811 Get density matrix (3015.67856s) started
T12 << 1462366284.47826695 Get density matrix (3024.86925s) stopped
T12 >> 1462366284.47830892 Potential (457.04705s) started
T12 << 1462366290.77594590 Potential (463.34469s) stopped
T12 >> 1462366290.77600408 Get density matrix (3024.86928s) started
T12 << 1462366324.22852111 Get density matrix (3058.32180s) stopped
T12 >> 1462366324.22857904 Prepare TCI loop (164.21526s) started
T12 >> 1462366324.22908211 Get neighbors (145.09761s) started
T12 << 1462366326.23145890 Get neighbors (147.09999s) stopped
T12 >> 1462366326.23195791 broadcast dH (19.02910s) started
T12 << 1462366326.72913098 broadcast dH (19.52628s) stopped
T12 << 1462366326.72917199 Prepare TCI loop (166.71585s) stopped
T12 >> 1462366326.72919106 Not so complicated loop (8.87040s) started
T12 << 1462366326.84959292 Not so complicated loop (8.99080s) stopped
T12 >> 1462366326.96988511 Complicated loop (1412.57178s) started
T12 << 1462366346.77357292 Complicated loop (1432.37547s) stopped
T12 >> 1462366346.77554393 Wait for sum (757.50643s) started
T12 << 1462366358.77465200 Wait for sum (769.50554s) stopped
T12 << 1462366358.77468610 LCAO forces (5909.01982s) stopped
T12 << 1462366359.62050605 Force calculation (5973.34929s) stopped
T12 >> 1462366359.63857603 Initialization (9915.09636s) started
T12 << 1462366359.63874507 Initialization (9915.09653s) stopped
T12 >> 1462366359.63897705 Initialization (9915.09655s) started
T12 << 1462366359.63911200 Initialization (9915.09668s) stopped
T12 >> 1462366359.63924909 Initialization (9915.09670s) started
T12 << 1462366359.63937998 Initialization (9915.09683s) stopped
T12 >> 1462366380.06061196 Initialization (9915.09684s) started
T12 >> 1462366380.07159305 Basic WFS set positions (6.68347s) started
T12 >> 1462366380.07161808 Redistribute (0.02100s) started
T12 << 1462366380.07175207 Redistribute (0.02114s) stopped
T12 << 1462366380.16234303 Basic WFS set positions (6.77422s) stopped
T12 >> 1462366380.16237092 Basis functions set positions (141.67287s) started
T12 << 1462366382.21531892 Basis functions set positions (143.72582s) stopped
T12 >> 1462366382.21592498 TCI: Calculate S, T, P (1162.23925s) started
T12 << 1462366397.86650109 TCI: Calculate S, T, P (1177.88983s) stopped
T12 >> 1462366397.86655688 blocked summation (2019.57613s) started
T12 << 1462366434.45449805 blocked summation (2056.16407s) stopped
T12 >> 1462366434.46394706 Scalapack redistribute (708.10918s) started
T12 << 1462366443.16777802 Scalapack redistribute (716.81301s) stopped
T12 >> 1462366443.16883993 blocked summation (2056.16410s) started
T12 << 1462366444.20185399 blocked summation (2057.19712s) stopped
T12 >> 1462366444.21121001 Scalapack redistribute (716.81307s) started
T12 << 1462366444.47850108 Scalapack redistribute (717.08036s) stopped
T12 >> 1462366444.48057890 Redistribute (0.13439s) started
T12 << 1462366444.48110390 Redistribute (0.13491s) stopped
T12 >> 1462366446.27387810 Redistribute (0.13493s) started
T12 << 1462366446.27432990 Redistribute (0.13538s) stopped
T12 >> 1462366446.28912306 LCAO WFS Initialize (5729.65247s) started
T12 >> 1462366446.28920889 Density initialize from wavefunctions (1080.19599s) started
T12 >> 1462366446.29603100 Calculate density matrix (743.40062s) started
T12 << 1462366456.16147494 Calculate density matrix (753.26606s) stopped
T12 >> 1462366456.16152406 Construct density (57.23294s) started
T12 << 1462366456.94587493 Construct density (58.01729s) stopped
T12 >> 1462366456.95990491 Symmetrize density (0.00624s) started
T12 << 1462366456.95997000 Symmetrize density (0.00631s) stopped
T12 << 1462366460.97692299 Density initialize from wavefunctions (1094.88370s) stopped
T12 >> 1462366460.97720599 Hamiltonian (4648.51859s) started
T12 >> 1462366460.97722411 vbar (2.08907s) started
T12 << 1462366460.99996901 vbar (2.11181s) stopped
T12 >> 1462366461.00006890 XC 3D grid (2160.48177s) started
T12 >> 1462366461.51980591 van der Waals (2086.85941s) started
T12 >> 1462366461.63369393 semilocal (440.09604s) started
T12 << 1462366467.44391990 semilocal (445.90626s) stopped
T12 >> 1462366467.51802397 redistribute (233.08800s) started
T12 << 1462366468.56558394 redistribute (234.13556s) stopped
T12 >> 1462366468.56564498 libvdwxc nonlocal (1399.13254s) started
T12 << 1462366486.64329505 libvdwxc nonlocal (1417.21019s) stopped
T12 >> 1462366486.64340091 redistribute (234.13560s) started
T12 << 1462366488.66874695 redistribute (236.16095s) stopped
T12 << 1462366488.66984200 van der Waals (2114.00945s) stopped
T12 << 1462366489.13288999 XC 3D grid (2188.61459s) stopped
T12 >> 1462366489.13294911 Poisson (1067.60059s) started
T12 << 1462366500.72874999 Poisson (1079.19639s) stopped
T12 >> 1462366500.72883511 Hartree integrate/restrict (28.47961s) started
T12 << 1462366500.77067995 Hartree integrate/restrict (28.52145s) stopped
T12 >> 1462366500.77076411 Hartree integrate/restrict (28.52150s) started
T12 << 1462366501.13341498 Hartree integrate/restrict (28.88415s) stopped
T12 >> 1462366501.13349605 Atomic (179.98304s) started
T12 >> 1462366501.13556099 XC Correction (0.00270s) started
T12 << 1462366501.13557696 XC Correction (0.00271s) stopped
T12 << 1462366503.44374895 Atomic (182.29329s) stopped
T12 >> 1462366503.44394398 Communicate (1209.82890s) started
T12 << 1462366523.50511003 Communicate (1229.89006s) stopped
T12 << 1462366523.50515103 Hamiltonian (4711.04653s) stopped
T12 << 1462366523.50516605 LCAO WFS Initialize (5806.86851s) stopped
T12 << 1462366523.51761794 Initialization (10058.55385s) stopped
T12 >> 1462366523.54458904 SCF-cycle (121603.95264s) started
T12 >> 1462366523.54462910 LCAO eigensolver (60842.18743s) started
T12 >> 1462366523.54464197 Potential matrix (904.13318s) started
T12 << 1462366524.53016090 Potential matrix (905.11870s) stopped
T12 >> 1462366524.53024197 DistributedAtomicCorrection (389.03391s) started
T12 << 1462366524.97482204 DistributedAtomicCorrection (389.47849s) stopped
T12 >> 1462366524.97486997 Distribute overlap matrix (7184.91621s) started
T12 >> 1462366524.97490191 blocked summation (4020.18801s) started
T12 << 1462366530.02843904 blocked summation (4025.24155s) stopped
T12 >> 1462366530.03892398 Scalapack redistribute (3155.64649s) started
T12 << 1462366533.52414703 Scalapack redistribute (3159.13172s) stopped
T12 << 1462366533.52427793 Distribute overlap matrix (7193.46562s) stopped
T12 >> 1462366533.52871394 Blacs Orbital Layouts (50720.06138s) started
T12 >> 1462366533.53720307 General diagonalize (50521.82670s) started
T12 << 1462366586.66429806 General diagonalize (50574.95380s) stopped
T12 >> 1462366586.66435289 Redistribute coefs (7.80148s) started
T12 << 1462366586.67291093 Redistribute coefs (7.81004s) stopped
T12 >> 1462366586.67299795 Send coefs to domains (181.95177s) started
T12 << 1462366586.95457196 Send coefs to domains (182.23334s) stopped
T12 << 1462366586.95498109 Blacs Orbital Layouts (50773.48765s) stopped
T12 >> 1462366586.95501304 Calculate projections (1639.47721s) started
T12 << 1462366588.69578099 Calculate projections (1641.21798s) stopped
T12 << 1462366588.69620895 LCAO eigensolver (60907.33901s) stopped
T12 >> 1462366591.85228705 Density (14214.10179s) started
T12 >> 1462366591.85230303 Pseudo density (10933.42544s) started
T12 >> 1462366591.85512996 Calculate density matrix (10261.56166s) started
T12 << 1462366603.77798605 Calculate density matrix (10273.48452s) stopped
T12 >> 1462366603.77804303 Construct density (654.53654s) started
T12 << 1462366604.56116509 Construct density (655.31967s) stopped
T12 >> 1462366604.57701206 Symmetrize density (0.07353s) started
T12 << 1462366604.57708693 Symmetrize density (0.07361s) stopped
T12 << 1462366604.57954407 Pseudo density (10946.15268s) stopped
T12 >> 1462366604.57961297 Atomic density matrices (2901.45470s) started
T12 << 1462366608.19659209 Atomic density matrices (2905.07168s) stopped
T12 >> 1462366608.19662905 Multipole moments (11.29284s) started
T12 << 1462366608.21264195 Multipole moments (11.30886s) stopped
T12 >> 1462366608.21266699 Normalize (5.82330s) started
T12 << 1462366608.21940589 Normalize (5.83004s) stopped
T12 >> 1462366608.21946311 Mix (362.03631s) started
T12 << 1462366608.59820509 Mix (362.41506s) stopped
T12 << 1462366608.59829497 Density (14230.84780s) stopped
T12 >> 1462366608.59832907 Hamiltonian (43605.24676s) started
T12 >> 1462366608.59834504 vbar (22.92203s) started
T12 << 1462366608.63343096 vbar (22.95712s) stopped
T12 >> 1462366608.63357806 XC 3D grid (24293.68972s) started
T12 >> 1462366609.15689206 van der Waals (23461.31735s) started
T12 >> 1462366609.27267790 semilocal (4959.56381s) started
T12 << 1462366615.06889606 semilocal (4965.36002s) stopped
T12 >> 1462366615.14258790 redistribute (2516.96857s) started
T12 << 1462366616.14335489 redistribute (2517.96933s) stopped
T12 >> 1462366616.14340496 libvdwxc nonlocal (15821.12851s) started
T12 << 1462366634.19967389 libvdwxc nonlocal (15839.18478s) stopped
T12 >> 1462366634.19974804 redistribute (2517.96937s) started
T12 << 1462366636.25763798 redistribute (2520.02726s) stopped
T12 << 1462366636.25883889 van der Waals (23488.41930s) stopped
T12 << 1462366636.73224902 XC 3D grid (24321.78839s) stopped
T12 >> 1462366636.73229790 Poisson (4991.12322s) started
T12 << 1462366641.06800795 Poisson (4995.45893s) stopped
T12 >> 1462366641.06814098 Hartree integrate/restrict (320.94049s) started
T12 << 1462366641.10808992 Hartree integrate/restrict (320.98044s) stopped
T12 >> 1462366641.10819697 Hartree integrate/restrict (320.98050s) started
T12 << 1462366641.44485998 Hartree integrate/restrict (321.31717s) stopped
T12 >> 1462366641.44494104 Atomic (2050.35169s) started
T12 >> 1462366641.44687200 XC Correction (0.02846s) started
T12 << 1462366641.44688702 XC Correction (0.02847s) stopped
T12 << 1462366643.75752306 Atomic (2052.66427s) stopped
T12 >> 1462366643.75772309 Communicate (11925.88850s) started
T12 << 1462366663.85828209 Communicate (11945.98906s) stopped
T12 << 1462366663.85832095 Hamiltonian (43660.50675s) stopped
T12 >> 1462366663.85834599 LCAO eigensolver (60907.33903s) started
T12 >> 1462366663.85836005 Potential matrix (905.11874s) started
T12 << 1462366664.84385705 Potential matrix (906.10424s) stopped
T12 >> 1462366664.84393907 DistributedAtomicCorrection (389.47853s) started
T12 << 1462366665.28734589 DistributedAtomicCorrection (389.92194s) stopped
T12 >> 1462366665.28739405 Distribute overlap matrix (7193.46563s) started
T12 >> 1462366665.28742599 blocked summation (4025.24158s) started
T12 << 1462366670.23605800 blocked summation (4030.19022s) stopped
T12 >> 1462366670.24573803 Scalapack redistribute (3159.13179s) started
T12 << 1462366673.78533792 Scalapack redistribute (3162.67139s) stopped
T12 << 1462366673.78543210 Distribute overlap matrix (7201.96367s) stopped
T12 >> 1462366673.79007411 Blacs Orbital Layouts (50773.48767s) started
T12 >> 1462366673.79878902 General diagonalize (50574.95384s) started
T12 << 1462366729.89961195 General diagonalize (50631.05466s) stopped
T12 >> 1462366729.89971089 Redistribute coefs (7.81011s) started
T12 << 1462366729.90872908 Redistribute coefs (7.81913s) stopped
T12 >> 1462366729.90881610 Send coefs to domains (182.23339s) started
T12 << 1462366730.01280403 Send coefs to domains (182.33737s) stopped
T12 << 1462366730.01318693 Blacs Orbital Layouts (50829.71078s) stopped
T12 >> 1462366730.01321697 Calculate projections (1641.21804s) started
T12 << 1462366731.75414991 Calculate projections (1642.95897s) stopped
T12 << 1462366731.75457406 LCAO eigensolver (60975.23525s) stopped
T12 >> 1462366734.92001891 Density (14230.84781s) started
T12 >> 1462366734.92003393 Pseudo density (10946.15274s) started
T12 >> 1462366734.92256904 Calculate density matrix (10273.48456s) started
T12 << 1462366747.90053391 Calculate density matrix (10286.46252s) stopped
T12 >> 1462366747.90058994 Construct density (655.31972s) started
T12 << 1462366748.68207598 Construct density (656.10121s) stopped
T12 >> 1462366748.69883895 Symmetrize density (0.07363s) started
T12 << 1462366748.69891596 Symmetrize density (0.07370s) stopped
T12 << 1462366748.70135689 Pseudo density (10959.93406s) stopped
T12 >> 1462366748.70142603 Atomic density matrices (2905.07171s) started
T12 << 1462366752.32313800 Atomic density matrices (2908.69342s) stopped
T12 >> 1462366752.32317400 Multipole moments (11.30887s) started
T12 << 1462366752.33893609 Multipole moments (11.32464s) stopped
T12 >> 1462366752.338972