T000 >> 1486984243.91493988 Set symmetry (0.00000s) started
T000 << 1486984244.09653831 Set symmetry (0.18160s) stopped
T000 >> 1486984244.24207735 TCI: Evaluate splines (0.00000s) started
T000 << 1486984247.39412403 TCI: Evaluate splines (3.15205s) stopped
T000 >> 1486984247.71475506 Basic WFS set positions (0.00000s) started
T000 << 1486984248.48181343 Basic WFS set positions (0.76706s) stopped
T000 >> 1486984248.48183727 Basis functions set positions (0.00000s) started
T000 << 1486984251.69401860 Basis functions set positions (3.21218s) stopped
T000 >> 1486984251.69590354 TCI: Calculate S, T, P (0.00000s) started
T000 << 1486984270.49131465 TCI: Calculate S, T, P (18.79541s) stopped
T000 >> 1486984270.49150634 blocked summation (0.00000s) started
T000 << 1486984307.14484739 blocked summation (36.65334s) stopped
T000 >> 1486984307.15154314 Scalapack redistribute (0.00000s) started
T000 << 1486984321.60524583 Scalapack redistribute (14.45371s) stopped
T000 >> 1486984321.60638809 blocked summation (36.65362s) started
T000 << 1486984322.28785324 blocked summation (37.33508s) stopped
T000 >> 1486984322.29669261 Scalapack redistribute (14.45375s) started
T000 << 1486984322.61390972 Scalapack redistribute (14.77097s) stopped
T000 >> 1486984324.50999522 LCAO WFS Initialize (0.00000s) started
T000 >> 1486984328.07904482 Hamiltonian (0.00000s) started
T000 >> 1486984328.07907104 Initialize Hamiltonian (0.00000s) started
T000 << 1486984328.08153367 Initialize Hamiltonian (0.00246s) stopped
T000 >> 1486984328.08156562 vbar (0.00000s) started
T000 << 1486984328.09610653 vbar (0.01454s) stopped
T000 >> 1486984328.09616709 XC 3D grid (0.00000s) started
T000 >> 1486984328.09637642 van der Waals (0.00000s) started
T000 >> 1486984328.09639573 semilocal (0.00000s) started
T000 << 1486984328.82000542 semilocal (0.72361s) stopped
T000 << 1486984336.06514812 van der Waals (7.96877s) stopped
T000 << 1486984336.09998870 XC 3D grid (8.00383s) stopped
T000 >> 1486984336.10001802 Poisson (0.00000s) started
T000 << 1486984345.82422233 Poisson (9.72421s) stopped
T000 >> 1486984345.82426071 Hartree integrate/restrict (0.00000s) started
T000 << 1486984345.83883786 Hartree integrate/restrict (0.01458s) stopped
T000 >> 1486984345.83891869 Hartree integrate/restrict (0.01462s) started
T000 << 1486984346.37642264 Hartree integrate/restrict (0.55212s) stopped
T000 >> 1486984346.37645626 Calculate atomic Hamiltonians (0.00000s) started
T000 << 1486984346.42148471 Calculate atomic Hamiltonians (0.04503s) stopped
T000 >> 1486984346.42150688 Atomic (0.00000s) started
T000 >> 1486984346.46115994 XC Correction (0.00000s) started
T000 << 1486984346.79690719 XC Correction (0.33575s) stopped
T000 << 1486984346.88797307 Atomic (0.46647s) stopped
T000 >> 1486984346.88816237 Communicate (0.00000s) started
T000 << 1486984347.00188375 Communicate (0.11372s) stopped
T000 << 1486984347.00190496 Hamiltonian (18.92286s) stopped
T000 << 1486984347.00204825 LCAO WFS Initialize (22.49206s) stopped
T000 >> 1486984347.07762098 SCF-cycle (0.00000s) started
T000 >> 1486984347.07765961 LCAO eigensolver (0.00000s) started
T000 >> 1486984347.07766891 Potential matrix (0.00000s) started
T000 << 1486984347.08844829 Potential matrix (0.01078s) stopped
T000 >> 1486984347.08850956 ScipyAtomicCorrection (0.00000s) started
T000 << 1486984347.26520920 ScipyAtomicCorrection (0.17670s) stopped
T000 >> 1486984347.26525021 Distribute overlap matrix (0.00000s) started
T000 >> 1486984347.26527238 blocked summation (0.00000s) started
T000 << 1486984351.13614845 blocked summation (3.87088s) stopped
T000 >> 1486984351.14119697 Scalapack redistribute (0.00000s) started
T000 << 1486984357.05577183 Scalapack redistribute (5.91458s) stopped
T000 << 1486984357.05584383 Distribute overlap matrix (9.79060s) stopped
T000 >> 1486984357.06202769 Blacs Orbital Layouts (0.00000s) started
T000 >> 1486984357.06505799 General diagonalize (0.00000s) started
T000 << 1486984450.56188440 General diagonalize (93.49683s) stopped
T000 >> 1486984450.56203032 Redistribute coefs (0.00000s) started
T000 << 1486984450.63727760 Redistribute coefs (0.07525s) stopped
T000 >> 1486984450.63732576 Send coefs to domains (0.00000s) started
T000 << 1486984450.76269150 Send coefs to domains (0.12537s) stopped
T000 << 1486984450.76276159 Blacs Orbital Layouts (93.70074s) stopped
T000 >> 1486984450.76277852 Calculate projections (0.00000s) started
T000 << 1486984450.83400536 Calculate projections (0.07123s) stopped
T000 << 1486984450.83404970 LCAO eigensolver (103.75639s) stopped
T000 >> 1486984450.84069228 Density (0.00000s) started
T000 >> 1486984450.84070706 Pseudo density (0.00000s) started
T000 >> 1486984450.85506892 Calculate density matrix (0.00000s) started
T000 << 1486984463.13736534 Calculate density matrix (12.28230s) stopped
T000 >> 1486984463.13745737 Construct density (0.00000s) started
T000 << 1486984463.14883065 Construct density (0.01138s) stopped
T000 >> 1486984463.57147717 Symmetrize density (0.00001s) started
T000 << 1486984463.57158971 Symmetrize density (0.00012s) stopped
T000 << 1486984463.57945180 Pseudo density (12.73875s) stopped
T000 >> 1486984463.57949495 Atomic density matrices (0.00000s) started
T000 << 1486984469.80436349 Atomic density matrices (6.22487s) stopped
T000 >> 1486984469.80438924 Multipole moments (0.00000s) started
T000 << 1486984469.91149044 Multipole moments (0.10710s) stopped
T000 >> 1486984469.91152883 Normalize (0.00000s) started
T000 << 1486984469.94096875 Normalize (0.02944s) stopped
T000 >> 1486984469.94100785 Mix (0.00000s) started
T000 << 1486984470.49601650 Mix (0.55501s) stopped
T000 << 1486984470.49608660 Density (19.65540s) stopped
T000 >> 1486984470.49613404 Hamiltonian (0.00000s) started
T000 >> 1486984470.49616194 vbar (0.00000s) started
T000 << 1486984470.51509356 vbar (0.01893s) stopped
T000 >> 1486984470.51516342 XC 3D grid (0.00001s) started
T000 >> 1486984470.51820445 van der Waals (0.00001s) started
T000 >> 1486984470.51824522 semilocal (0.00000s) started
T000 << 1486984471.29837775 semilocal (0.78014s) stopped
T000 << 1486984478.55276775 van der Waals (8.03457s) stopped
T000 << 1486984478.59762120 XC 3D grid (8.08247s) stopped
T000 >> 1486984478.59765530 Poisson (0.00000s) started
T000 << 1486984483.32888103 Poisson (4.73123s) stopped
T000 >> 1486984483.32892132 Hartree integrate/restrict (0.00000s) started
T000 << 1486984483.34225941 Hartree integrate/restrict (0.01334s) stopped
T000 >> 1486984483.34233069 Hartree integrate/restrict (0.01337s) started
T000 << 1486984483.83842397 Hartree integrate/restrict (0.50946s) stopped
T000 >> 1486984483.83846116 Calculate atomic Hamiltonians (0.00000s) started
T000 << 1486984483.90214896 Calculate atomic Hamiltonians (0.06369s) stopped
T000 >> 1486984483.90217662 Atomic (0.00000s) started
T000 >> 1486984483.92797756 XC Correction (0.00000s) started
T000 << 1486984484.26378012 XC Correction (0.33580s) stopped
T000 << 1486984484.33603263 Atomic (0.43386s) stopped
T000 >> 1486984484.33620310 Communicate (0.00000s) started
T000 << 1486984484.51387787 Communicate (0.17768s) stopped
T000 << 1486984484.51390171 Hamiltonian (14.01777s) stopped
T000 >> 1486984484.51404405 LCAO eigensolver (103.75640s) started
T000 >> 1486984484.51405358 Potential matrix (0.01080s) started
T000 << 1486984484.52480268 Potential matrix (0.02155s) stopped
T000 >> 1486984484.52486634 ScipyAtomicCorrection (0.17673s) started
T000 << 1486984484.71443367 ScipyAtomicCorrection (0.36630s) stopped
T000 >> 1486984484.71447754 Distribute overlap matrix (9.79061s) started
T000 >> 1486984484.71449733 blocked summation (3.87094s) started
T000 << 1486984488.58010149 blocked summation (7.73655s) stopped
T000 >> 1486984488.58555055 Scalapack redistribute (5.91463s) started
T000 << 1486984494.44229722 Scalapack redistribute (11.77137s) stopped
T000 << 1486984494.44233847 Distribute overlap matrix (19.51847s) stopped
T000 >> 1486984494.44612503 Blacs Orbital Layouts (93.70074s) started
T000 >> 1486984494.44825029 General diagonalize (93.49695s) started
T000 << 1486984588.70537519 General diagonalize (187.75407s) stopped
T000 >> 1486984588.70546556 Redistribute coefs (0.07529s) started
T000 << 1486984588.77755141 Redistribute coefs (0.14737s) stopped
T000 >> 1486984588.77771807 Send coefs to domains (0.12540s) started
T000 << 1486984588.84460878 Send coefs to domains (0.19229s) stopped
T000 << 1486984588.84467554 Blacs Orbital Layouts (188.09930s) stopped
T000 >> 1486984588.84469128 Calculate projections (0.07126s) started
T000 << 1486984588.92222381 Calculate projections (0.14879s) stopped
T000 << 1486984588.92226815 LCAO eigensolver (208.16463s) stopped
T000 >> 1486984588.94749618 Density (19.65541s) started
T000 >> 1486984588.94751048 Pseudo density (12.73877s) started
T000 >> 1486984588.95321345 Calculate density matrix (12.28235s) started
T000 << 1486984601.51281047 Calculate density matrix (24.84194s) stopped
T000 >> 1486984601.51291084 Construct density (0.01139s) started
T000 << 1486984601.52377820 Construct density (0.02226s) stopped
T000 >> 1486984601.98410153 Symmetrize density (0.00014s) started
T000 << 1486984601.98421001 Symmetrize density (0.00025s) stopped
T000 << 1486984601.99251008 Pseudo density (25.78377s) stopped
T000 >> 1486984601.99254584 Atomic density matrices (6.22489s) started
T000 << 1486984608.16825294 Atomic density matrices (12.40060s) stopped
T000 >> 1486984608.16828132 Multipole moments (0.10713s) started
T000 << 1486984608.27865100 Multipole moments (0.21750s) stopped
T000 >> 1486984608.27867603 Normalize (0.02947s) started
T000 << 1486984608.33673787 Normalize (0.08753s) stopped
T000 >> 1486984608.33682299 Mix (0.55508s) started
T000 << 1486984608.95525670 Mix (1.17351s) stopped
T000 << 1486984608.95532465 Density (39.66324s) stopped
T000 >> 1486984608.95535254 Hamiltonian (14.01778s) started
T000 >> 1486984608.95536613 vbar (0.01898s) started
T000 << 1486984608.96384645 vbar (0.02746s) stopped
T000 >> 1486984608.96388555 XC 3D grid (8.08250s) started
T000 >> 1486984608.96401024 van der Waals (8.03495s) started
T000 >> 1486984608.96401882 semilocal (0.78017s) started
T000 << 1486984609.72191024 semilocal (1.53806s) stopped
T000 << 1486984616.89789867 van der Waals (15.96884s) stopped
T000 << 1486984616.93666840 XC 3D grid (16.05528s) stopped
T000 >> 1486984616.93669415 Poisson (4.73126s) started
T000 << 1486984621.93660760 Poisson (9.73117s) stopped
T000 >> 1486984621.93665028 Hartree integrate/restrict (0.50949s) started
T000 << 1486984621.94927883 Hartree integrate/restrict (0.52212s) stopped
T000 >> 1486984621.94941783 Hartree integrate/restrict (0.52219s) started
T000 << 1486984622.45892811 Hartree integrate/restrict (1.03170s) stopped
T000 >> 1486984622.45896506 Calculate atomic Hamiltonians (0.06371s) started
T000 << 1486984622.54942203 Calculate atomic Hamiltonians (0.15416s) stopped
T000 >> 1486984622.54944634 Atomic (0.43387s) started
T000 >> 1486984622.55798483 XC Correction (0.33583s) started
T000 << 1486984622.89557624 XC Correction (0.67342s) stopped
T000 << 1486984623.01749563 Atomic (0.90192s) stopped
T000 >> 1486984623.01765919 Communicate (0.17769s) started
T000 << 1486984623.10938597 Communicate (0.26942s) stopped
T000 << 1486984623.10940576 Hamiltonian (28.17183s) stopped
T000 >> 1486984623.10954356 LCAO eigensolver (208.16463s) started
T000 >> 1486984623.10955238 Potential matrix (0.02158s) started
T000 << 1486984623.12026334 Potential matrix (0.03229s) stopped
T000 >> 1486984623.12031746 ScipyAtomicCorrection (0.36634s) started
T000 << 1486984623.29053545 ScipyAtomicCorrection (0.53656s) stopped
T000 >> 1486984623.29057264 Distribute overlap matrix (19.51847s) started
T000 >> 1486984623.29058957 blocked summation (7.73658s) started
T000 << 1486984627.20861101 blocked summation (11.65460s) stopped
T000 >> 1486984627.21408939 Scalapack redistribute (11.77140s) started
T000 << 1486984633.04707146 Scalapack redistribute (17.60439s) stopped
T000 << 1486984633.04713297 Distribute overlap matrix (29.27503s) stopped
T000 >> 1486984633.05050015 Blacs Orbital Layouts (188.09930s) started
T000 >> 1486984633.05298758 General diagonalize (187.75415s) started
T000 << 1486984726.32459831 General diagonalize (281.02576s) stopped
T000 >> 1486984726.32468867 Redistribute coefs (0.14753s) started
T000 << 1486984726.38872719 Redistribute coefs (0.21157s) stopped
T000 >> 1486984726.38877654 Send coefs to domains (0.19234s) started
T000 << 1486984726.46019840 Send coefs to domains (0.26377s) stopped
T000 << 1486984726.46024299 Blacs Orbital Layouts (281.50905s) stopped
T000 >> 1486984726.46025705 Calculate projections (0.14883s) started
T000 << 1486984726.53425837 Calculate projections (0.22283s) stopped
T000 << 1486984726.53429890 LCAO eigensolver (311.58939s) stopped
T000 >> 1486984726.54531145 Density (39.66325s) started
T000 >> 1486984726.54532766 Pseudo density (25.78379s) started
T000 >> 1486984726.55105233 Calculate density matrix (24.84201s) started
T000 << 1486984738.59389472 Calculate density matrix (36.88486s) stopped
T000 >> 1486984738.59395885 Construct density (0.02229s) started
T000 << 1486984738.60480809 Construct density (0.03313s) stopped
T000 >> 1486984739.12431479 Symmetrize density (0.00026s) started
T000 << 1486984739.12438154 Symmetrize density (0.00032s) stopped
T000 << 1486984739.13210773 Pseudo density (38.37057s) stopped
T000 >> 1486984739.13213778 Atomic density matrices (12.40062s) started
T000 << 1486984745.31819057 Atomic density matrices (18.58667s) stopped
T000 >> 1486984745.31821561 Multipole moments (0.21752s) started
T000 << 1486984745.39220047 Multipole moments (0.29150s) stopped
T000 >> 1486984745.39222407 Normalize (0.08760s) started
T000 << 1486984745.42127633 Normalize (0.11665s) stopped
T000 >> 1486984745.42134309 Mix (1.17358s) started
T000 << 1486984746.11388326 Mix (1.86612s) stopped
T000 << 1486984746.11394000 Density (59.23188s) stopped
T000 >> 1486984746.11396456 Hamiltonian (28.17184s) started
T000 >> 1486984746.11398625 vbar (0.02749s) started
T000 << 1486984746.12232876 vbar (0.03583s) stopped
T000 >> 1486984746.12236476 XC 3D grid (16.05530s) started
T000 >> 1486984746.12250185 van der Waals (15.96889s) started
T000 >> 1486984746.12251091 semilocal (1.53810s) started
T000 << 1486984746.87568212 semilocal (2.29127s) stopped
T000 << 1486984754.11957145 van der Waals (23.96596s) stopped
T000 << 1486984754.15607500 XC 3D grid (24.08901s) stopped
T000 >> 1486984754.15610123 Poisson (9.73120s) started
T000 << 1486984758.37862611 Poisson (13.95373s) stopped
T000 >> 1486984758.37867188 Hartree integrate/restrict (1.03173s) started
T000 << 1486984758.39128733 Hartree integrate/restrict (1.04435s) stopped
T000 >> 1486984758.39143324 Hartree integrate/restrict (1.04442s) started
T000 << 1486984758.89928746 Hartree integrate/restrict (1.55227s) stopped
T000 >> 1486984758.89932227 Calculate atomic Hamiltonians (0.15418s) started
T000 << 1486984758.94455409 Calculate atomic Hamiltonians (0.19941s) stopped
T000 >> 1486984758.94457769 Atomic (0.90194s) started
T000 >> 1486984758.97873092 XC Correction (0.67345s) started
T000 << 1486984759.31557894 XC Correction (1.01029s) stopped
T000 << 1486984759.38837528 Atomic (1.34573s) stopped
T000 >> 1486984759.38852692 Communicate (0.26943s) started
T000 << 1486984759.50630236 Communicate (0.38721s) stopped
T000 << 1486984759.50632191 Hamiltonian (41.56420s) stopped
T000 >> 1486984759.50646567 LCAO eigensolver (311.58940s) started
T000 >> 1486984759.50647473 Potential matrix (0.03232s) started
T000 << 1486984759.51716590 Potential matrix (0.04301s) stopped
T000 >> 1486984759.51721859 ScipyAtomicCorrection (0.53659s) started
T000 << 1486984759.68643236 ScipyAtomicCorrection (0.70580s) stopped
T000 >> 1486984759.68647003 Distribute overlap matrix (29.27505s) started
T000 >> 1486984759.68648744 blocked summation (11.65468s) started
T000 << 1486984763.57574654 blocked summation (15.54394s) stopped
T000 >> 1486984763.58092356 Scalapack redistribute (17.60443s) started
T000 << 1486984769.38928533 Scalapack redistribute (23.41279s) stopped
T000 << 1486984769.38933015 Distribute overlap matrix (38.97791s) stopped
T000 >> 1486984769.39253235 Blacs Orbital Layouts (281.50905s) started
T000 >> 1486984769.39460826 General diagonalize (281.02583s) started
T000 << 1486984861.86641884 General diagonalize (373.49764s) stopped
T000 >> 1486984861.86650038 Redistribute coefs (0.21161s) started
T000 << 1486984861.93054676 Redistribute coefs (0.27566s) stopped
T000 >> 1486984861.93059468 Send coefs to domains (0.26380s) started
T000 << 1486984861.99291801 Send coefs to domains (0.32612s) stopped
T000 << 1486984861.99296713 Blacs Orbital Layouts (374.10949s) stopped
T000 >> 1486984861.99298286 Calculate projections (0.22285s) started
T000 << 1486984862.06981826 Calculate projections (0.29969s) stopped
T000 << 1486984862.06985760 LCAO eigensolver (414.15279s) stopped
T000 >> 1486984862.08601284 Density (59.23189s) started
T000 >> 1486984862.08602786 Pseudo density (38.37059s) started
T000 >> 1486984862.09165835 Calculate density matrix (36.88490s) started
T000 << 1486984874.23853230 Calculate density matrix (49.03177s) stopped
T000 >> 1486984874.23857403 Construct density (0.03315s) started
T000 << 1486984874.24947143 Construct density (0.04405s) stopped
T000 >> 1486984874.72628331 Symmetrize density (0.00033s) started
T000 << 1486984874.72634554 Symmetrize density (0.00040s) stopped
T000 << 1486984874.73405242 Pseudo density (51.01862s) stopped
T000 >> 1486984874.73408484 Atomic density matrices (18.58669s) started
T000 << 1486984880.89068961 Atomic density matrices (24.74329s) stopped
T000 >> 1486984880.89071536 Multipole moments (0.29152s) started
T000 << 1486984880.98183680 Multipole moments (0.38264s) stopped
T000 >> 1486984880.98186111 Normalize (0.11671s) started
T000 << 1486984881.01068497 Normalize (0.14553s) stopped
T000 >> 1486984881.01072598 Mix (1.86618s) started
T000 << 1486984881.80632377 Mix (2.66177s) stopped
T000 << 1486984881.80639434 Density (78.95227s) stopped
T000 >> 1486984881.80642366 Hamiltonian (41.56420s) started
T000 >> 1486984881.80644107 vbar (0.03585s) started
T000 << 1486984881.81560636 vbar (0.04502s) stopped
T000 >> 1486984881.81565022 XC 3D grid (24.08903s) started
T000 >> 1486984881.81579280 van der Waals (23.96601s) started
T000 >> 1486984881.81580138 semilocal (2.29131s) started
T000 << 1486984882.57161045 semilocal (3.04711s) stopped
T000 << 1486984889.71511650 van der Waals (31.86533s) stopped
T000 << 1486984889.75219178 XC 3D grid (32.02557s) stopped
T000 >> 1486984889.75221944 Poisson (13.95376s) started
T000 << 1486984894.72528768 Poisson (18.92683s) stopped
T000 >> 1486984894.72532749 Hartree integrate/restrict (1.55230s) started
T000 << 1486984894.73836660 Hartree integrate/restrict (1.56534s) stopped
T000 >> 1486984894.73847508 Hartree integrate/restrict (1.56539s) started
T000 << 1486984895.24516439 Hartree integrate/restrict (2.07208s) stopped
T000 >> 1486984895.24519563 Calculate atomic Hamiltonians (0.19943s) started
T000 << 1486984895.30110312 Calculate atomic Hamiltonians (0.25534s) stopped
T000 >> 1486984895.30113482 Atomic (1.34575s) started
T000 >> 1486984895.32495284 XC Correction (1.01031s) started
T000 << 1486984895.66166663 XC Correction (1.34703s) stopped
T000 << 1486984895.79302883 Atomic (1.83764s) stopped
T000 >> 1486984895.79318404 Communicate (0.38722s) started
T000 << 1486984895.90829706 Communicate (0.50233s) stopped
T000 << 1486984895.90831423 Hamiltonian (55.66610s) stopped
T000 >> 1486984895.90845895 LCAO eigensolver (414.15280s) started
T000 >> 1486984895.90846801 Potential matrix (0.04304s) started
T000 << 1486984895.91916728 Potential matrix (0.05374s) stopped
T000 >> 1486984895.91920948 ScipyAtomicCorrection (0.70583s) started
T000 << 1486984896.11418891 ScipyAtomicCorrection (0.90081s) stopped
T000 >> 1486984896.11423349 Distribute overlap matrix (38.97791s) started
T000 >> 1486984896.11425209 blocked summation (15.54398s) started
T000 << 1486984900.21224523 blocked summation (19.64197s) stopped
T000 >> 1486984900.21857142 Scalapack redistribute (23.41283s) started
T000 << 1486984905.85090470 Scalapack redistribute (29.04516s) stopped
T000 << 1486984905.85094929 Distribute overlap matrix (48.71463s) stopped
T000 >> 1486984905.85409474 Blacs Orbital Layouts (374.10950s) started
T000 >> 1486984905.85618091 General diagonalize (373.49771s) started
T000 << 1486984998.65061259 General diagonalize (466.29214s) stopped
T000 >> 1486984998.65070391 Redistribute coefs (0.27570s) started
T000 << 1486984998.71749806 Redistribute coefs (0.34249s) stopped
T000 >> 1486984998.71754599 Send coefs to domains (0.32615s) started
T000 << 1486984998.78855848 Send coefs to domains (0.39717s) stopped
T000 << 1486984998.78861070 Blacs Orbital Layouts (467.04401s) stopped
T000 >> 1486984998.78862667 Calculate projections (0.29972s) started
T000 << 1486984998.87042785 Calculate projections (0.38152s) stopped
T000 << 1486984998.87047005 LCAO eigensolver (517.11481s) stopped
T000 >> 1486984998.88425636 Density (78.95228s) started
T000 >> 1486984998.88427281 Pseudo density (51.01864s) started
T000 >> 1486984998.89000440 Calculate density matrix (49.03180s) started
T000 << 1486985011.40821671 Calculate density matrix (61.55002s) stopped
T000 >> 1486985011.40831733 Construct density (0.04407s) started
T000 << 1486985011.41920686 Construct density (0.05496s) stopped
T000 >> 1486985011.88203979 Symmetrize density (0.00041s) started
T000 << 1486985011.88211322 Symmetrize density (0.00048s) stopped
T000 << 1486985011.89026523 Pseudo density (64.02463s) stopped
T000 >> 1486985011.89029813 Atomic density matrices (24.74331s) started
T000 << 1486985018.02379918 Atomic density matrices (30.87681s) stopped
T000 >> 1486985018.02384734 Multipole moments (0.38266s) started
T000 << 1486985018.10859895 Multipole moments (0.46741s) stopped
T000 >> 1486985018.10862613 Normalize (0.14556s) started
T000 << 1486985018.13438344 Normalize (0.17132s) stopped
T000 >> 1486985018.13444781 Mix (2.66184s) started
T000 << 1486985019.01983738 Mix (3.54723s) stopped
T000 << 1486985019.01992321 Density (99.08795s) stopped
T000 >> 1486985019.01996636 Hamiltonian (55.66610s) started
T000 >> 1486985019.01998472 vbar (0.04505s) started
T000 << 1486985019.02887297 vbar (0.05394s) stopped
T000 >> 1486985019.02891254 XC 3D grid (32.02559s) started
T000 >> 1486985019.02905941 van der Waals (31.86542s) started
T000 >> 1486985019.02906775 semilocal (3.04716s) started
T000 << 1486985019.78085876 semilocal (3.79895s) stopped
T000 << 1486985027.08401132 van der Waals (39.92038s) stopped
T000 << 1486985027.13297105 XC 3D grid (40.12965s) stopped
T000 >> 1486985027.13299704 Poisson (18.92686s) started
T000 << 1486985032.89666677 Poisson (24.69053s) stopped
T000 >> 1486985032.89670706 Hartree integrate/restrict (2.07210s) started
T000 << 1486985032.91012192 Hartree integrate/restrict (2.08551s) stopped
T000 >> 1486985032.91026950 Hartree integrate/restrict (2.08559s) started
T000 << 1486985033.41341209 Hartree integrate/restrict (2.58873s) stopped
T000 >> 1486985033.41344404 Calculate atomic Hamiltonians (0.25536s) started
T000 << 1486985033.46909356 Calculate atomic Hamiltonians (0.31101s) stopped
T000 >> 1486985033.46912646 Atomic (1.83766s) started
T000 >> 1486985033.49517512 XC Correction (1.34704s) started
T000 << 1486985033.83185697 XC Correction (1.68373s) stopped
T000 << 1486985033.92343688 Atomic (2.29197s) stopped
T000 >> 1486985033.92359519 Communicate (0.50234s) started
T000 << 1486985034.01184487 Communicate (0.59059s) stopped
T000 << 1486985034.01186490 Hamiltonian (70.65800s) stopped
T000 >> 1486985034.01202297 LCAO eigensolver (517.11481s) started
T000 >> 1486985034.01203251 Potential matrix (0.05375s) started
T000 << 1486985034.02274394 Potential matrix (0.06447s) stopped
T000 >> 1486985034.02280283 ScipyAtomicCorrection (0.90085s) started
T000 << 1486985034.19535208 ScipyAtomicCorrection (1.07339s) stopped
T000 >> 1486985034.19538808 Distribute overlap matrix (48.71464s) started
T000 >> 1486985034.19540596 blocked summation (19.64201s) started
T000 << 1486985038.15047550 blocked summation (23.59708s) stopped
T000 >> 1486985038.15602398 Scalapack redistribute (29.04519s) started
T000 << 1486985043.95424604 Scalapack redistribute (34.84341s) stopped
T000 << 1486985043.95432091 Distribute overlap matrix (58.47357s) stopped
T000 >> 1486985043.95776105 Blacs Orbital Layouts (467.04402s) started
T000 >> 1486985043.96051025 General diagonalize (466.29222s) started
T000 << 1486985136.64845991 General diagonalize (558.98017s) stopped
T000 >> 1486985136.64860177 Redistribute coefs (0.34253s) started
T000 << 1486985136.71507883 Redistribute coefs (0.40901s) stopped
T000 >> 1486985136.71512151 Send coefs to domains (0.39720s) started
T000 << 1486985136.77416635 Send coefs to domains (0.45625s) stopped
T000 << 1486985136.77421141 Blacs Orbital Layouts (559.86047s) stopped
T000 >> 1486985136.77422976 Calculate projections (0.38155s) started
T000 << 1486985136.85423231 Calculate projections (0.46155s) stopped
T000 << 1486985136.85427403 LCAO eigensolver (619.95707s) stopped
T000 >> 1486985136.87157440 Density (99.08797s) started
T000 >> 1486985136.87158942 Pseudo density (64.02465s) started
T000 >> 1486985136.87688231 Calculate density matrix (61.55008s) started
T000 << 1486985149.15682769 Calculate density matrix (73.83003s) stopped
T000 >> 1486985149.15689015 Construct density (0.05498s) started
T000 << 1486985149.16773582 Construct density (0.06582s) stopped
T000 >> 1486985149.54619551 Symmetrize density (0.00050s) started
T000 << 1486985149.54626107 Symmetrize density (0.00056s) stopped
T000 << 1486985149.55406189 Pseudo density (76.70713s) stopped
T000 >> 1486985149.55409503 Atomic density matrices (30.87685s) started
T000 << 1486985155.69119573 Atomic density matrices (37.01395s) stopped
T000 >> 1486985155.69122720 Multipole moments (0.46743s) started
T000 << 1486985155.76084757 Multipole moments (0.53705s) stopped
T000 >> 1486985155.76087523 Normalize (0.17137s) started
T000 << 1486985155.79294133 Normalize (0.20344s) stopped
T000 >> 1486985155.79302859 Mix (3.54732s) started
T000 << 1486985156.65870404 Mix (4.41299s) stopped
T000 << 1486985156.65875745 Density (118.87515s) stopped
T000 >> 1486985156.65877986 Hamiltonian (70.65801s) started
T000 >> 1486985156.65879703 vbar (0.05397s) started
T000 << 1486985156.66743612 vbar (0.06260s) stopped
T000 >> 1486985156.66748905 XC 3D grid (40.12967s) started
T000 >> 1486985156.66766548 van der Waals (39.92044s) started
T000 >> 1486985156.66767478 semilocal (3.79898s) started
T000 << 1486985157.41559720 semilocal (4.54690s) stopped
T000 << 1486985164.62326670 van der Waals (47.87604s) stopped
T000 << 1486985164.66972613 XC 3D grid (48.13191s) stopped
T000 >> 1486985164.66975236 Poisson (24.69056s) started
T000 << 1486985168.54641461 Poisson (28.56723s) stopped
T000 >> 1486985168.54645514 Hartree integrate/restrict (2.58875s) started
T000 << 1486985168.55965376 Hartree integrate/restrict (2.60195s) stopped
T000 >> 1486985168.55979276 Hartree integrate/restrict (2.60201s) started
T000 << 1486985169.06753421 Hartree integrate/restrict (3.10975s) stopped
T000 >> 1486985169.06756639 Calculate atomic Hamiltonians (0.31103s) started
T000 << 1486985169.16587877 Calculate atomic Hamiltonians (0.40934s) stopped
T000 >> 1486985169.16590762 Atomic (2.29198s) started
T000 >> 1486985169.18687153 XC Correction (1.68375s) started
T000 << 1486985169.52591395 XC Correction (2.02279s) stopped
T000 << 1486985169.61386704 Atomic (2.73994s) stopped
T000 >> 1486985169.61402178 Communicate (0.59060s) started
T000 << 1486985169.69700480 Communicate (0.67358s) stopped
T000 << 1486985169.69702721 Hamiltonian (83.69625s) stopped
T000 >> 1486985169.69717932 LCAO eigensolver (619.95707s) started
T000 >> 1486985169.69718814 Potential matrix (0.06449s) started
T000 << 1486985169.70787406 Potential matrix (0.07518s) stopped
T000 >> 1486985169.70792961 ScipyAtomicCorrection (1.07342s) started
T000 << 1486985169.87690353 ScipyAtomicCorrection (1.24240s) stopped
T000 >> 1486985169.87694049 Distribute overlap matrix (58.47358s) started
T000 >> 1486985169.87695694 blocked summation (23.59712s) started
T000 << 1486985173.83067703 blocked summation (27.55084s) stopped
T000 >> 1486985173.83617949 Scalapack redistribute (34.84347s) started
T000 << 1486985179.65121984 Scalapack redistribute (40.65851s) stopped
T000 << 1486985179.65125322 Distribute overlap matrix (68.24789s) stopped
T000 >> 1486985179.65472770 Blacs Orbital Layouts (559.86048s) started
T000 >> 1486985179.65694380 General diagonalize (558.98029s) started
T000 << 1486985272.16251922 General diagonalize (651.48587s) stopped
T000 >> 1486985272.16260314 Redistribute coefs (0.40904s) started
T000 << 1486985272.23019862 Redistribute coefs (0.47664s) stopped
T000 >> 1486985272.23023462 Send coefs to domains (0.45628s) started
T000 << 1486985272.28518319 Send coefs to domains (0.51123s) stopped
T000 << 1486985272.28522754 Blacs Orbital Layouts (652.49098s) stopped
T000 >> 1486985272.28524160 Calculate projections (0.46158s) started
T000 << 1486985272.36614966 Calculate projections (0.54249s) stopped
T000 << 1486985272.36618209 LCAO eigensolver (722.62608s) stopped
T000 >> 1486985272.39995241 Density (118.87516s) started
T000 >> 1486985272.39997077 Pseudo density (76.70715s) started
T000 >> 1486985272.40548515 Calculate density matrix (73.83007s) started
T000 << 1486985284.06341863 Calculate density matrix (85.48801s) stopped
T000 >> 1486985284.06348467 Construct density (0.06584s) started
T000 << 1486985284.07430339 Construct density (0.07666s) stopped
T000 >> 1486985284.44723892 Symmetrize density (0.00057s) started
T000 << 1486985284.44730115 Symmetrize density (0.00064s) stopped
T000 << 1486985284.45530796 Pseudo density (88.76249s) stopped
T000 >> 1486985284.45533895 Atomic density matrices (37.01397s) started
T000 << 1486985290.60239291 Atomic density matrices (43.16102s) stopped
T000 >> 1486985290.60241961 Multipole moments (0.53707s) started
T000 << 1486985290.67822075 Multipole moments (0.61287s) stopped
T000 >> 1486985290.67824721 Normalize (0.20351s) started
T000 << 1486985290.70744491 Normalize (0.23271s) stopped
T000 >> 1486985290.70750022 Mix (4.41304s) started
T000 << 1486985291.51688528 Mix (5.22243s) stopped
T000 << 1486985291.51696110 Density (137.99217s) stopped
T000 >> 1486985291.51698637 Hamiltonian (83.69626s) started
T000 >> 1486985291.51700354 vbar (0.06265s) started
T000 << 1486985291.52581453 vbar (0.07146s) stopped
T000 >> 1486985291.52585125 XC 3D grid (48.13193s) started
T000 >> 1486985291.52599239 van der Waals (47.87613s) started
T000 >> 1486985291.52600050 semilocal (4.54694s) started
T000 << 1486985292.27780747 semilocal (5.29874s) stopped
T000 << 1486985299.52717280 van der Waals (55.87732s) stopped
T000 << 1486985299.55863261 XC 3D grid (56.16471s) stopped
T000 >> 1486985299.55867076 Poisson (28.56726s) started
T000 << 1486985303.77518797 Poisson (32.78377s) stopped
T000 >> 1486985303.77523017 Hartree integrate/restrict (3.10978s) started
T000 << 1486985303.78849626 Hartree integrate/restrict (3.12304s) stopped
T000 >> 1486985303.78863668 Hartree integrate/restrict (3.12311s) started
T000 << 1486985304.30049968 Hartree integrate/restrict (3.63497s) stopped
T000 >> 1486985304.30053353 Calculate atomic Hamiltonians (0.40936s) started
T000 << 1486985304.35889006 Calculate atomic Hamiltonians (0.46772s) stopped
T000 >> 1486985304.35891914 Atomic (2.73996s) started
T000 >> 1486985304.39236641 XC Correction (2.02281s) started
T000 << 1486985304.73363352 XC Correction (2.36408s) stopped
T000 << 1486985304.84051824 Atomic (3.22156s) stopped
T000 >> 1486985304.84074545 Communicate (0.67360s) started
T000 << 1486985304.92144918 Communicate (0.75430s) stopped
T000 << 1486985304.92147350 Hamiltonian (97.10075s) stopped
T000 >> 1486985304.92163444 LCAO eigensolver (722.62608s) started
T000 >> 1486985304.92165375 Potential matrix (0.07520s) started
T000 << 1486985304.93235493 Potential matrix (0.08590s) stopped
T000 >> 1486985304.93239641 ScipyAtomicCorrection (1.24243s) started
T000 << 1486985305.10361910 ScipyAtomicCorrection (1.41365s) stopped
T000 >> 1486985305.10366821 Distribute overlap matrix (68.24790s) started
T000 >> 1486985305.10368586 blocked summation (27.55087s) started
T000 << 1486985308.98247218 blocked summation (31.42966s) stopped
T000 >> 1486985308.98784995 Scalapack redistribute (40.65854s) started
T000 << 1486985314.92290068 Scalapack redistribute (46.59359s) stopped
T000 << 1486985314.92295170 Distribute overlap matrix (78.06718s) stopped
T000 >> 1486985314.92645764 Blacs Orbital Layouts (652.49099s) started
T000 >> 1486985314.93146133 General diagonalize (651.48594s) started
T000 << 1486985408.82573128 General diagonalize (745.38021s) stopped
T000 >> 1486985408.82581425 Redistribute coefs (0.47667s) started
T000 << 1486985408.89229202 Redistribute coefs (0.54315s) stopped
T000 >> 1486985408.89233303 Send coefs to domains (0.51126s) started
T000 << 1486985408.94808149 Send coefs to domains (0.56700s) stopped
T000 << 1486985408.94813204 Blacs Orbital Layouts (746.51267s) stopped
T000 >> 1486985408.94814610 Calculate projections (0.54251s) started
T000 << 1486985409.03046584 Calculate projections (0.62483s) stopped
T000 << 1486985409.03050995 LCAO eigensolver (826.73496s) stopped
T000 >> 1486985409.05829740 Density (137.99218s) started
T000 >> 1486985409.05831122 Pseudo density (88.76251s) started
T000 >> 1486985409.06387639 Calculate density matrix (85.48805s) started
T000 << 1486985421.27858114 Calculate density matrix (97.70275s) stopped
T000 >> 1486985421.27865291 Construct density (0.07667s) started
T000 << 1486985421.28947353 Construct density (0.08749s) stopped
T000 >> 1486985421.65482211 Symmetrize density (0.00065s) started
T000 << 1486985421.65488815 Symmetrize density (0.00072s) stopped
T000 << 1486985421.66284966 Pseudo density (101.36704s) stopped
T000 >> 1486985421.66288137 Atomic density matrices (43.16104s) started
T000 << 1486985427.81830692 Atomic density matrices (49.31647s) stopped
T000 >> 1486985427.81833410 Multipole moments (0.61289s) started
T000 << 1486985427.88291383 Multipole moments (0.67747s) stopped
T000 >> 1486985427.88294220 Normalize (0.23275s) started
T000 << 1486985427.91182089 Normalize (0.26163s) stopped
T000 >> 1486985427.91189122 Mix (5.22250s) started
T000 << 1486985428.75247598 Mix (6.06309s) stopped
T000 << 1486985428.75254297 Density (157.68643s) stopped
T000 >> 1486985428.75257015 Hamiltonian (97.10076s) started
T000 >> 1486985428.75258613 vbar (0.07148s) started
T000 << 1486985428.76085663 vbar (0.07975s) stopped
T000 >> 1486985428.76089334 XC 3D grid (56.16474s) started
T000 >> 1486985428.76103163 van der Waals (55.87741s) started
T000 >> 1486985428.76103973 semilocal (5.29877s) started
T000 << 1486985429.51811647 semilocal (6.05584s) stopped
T000 << 1486985436.70916820 van der Waals (63.82555s) stopped
T000 << 1486985436.76168203 XC 3D grid (64.16553s) stopped
T000 >> 1486985436.76171064 Poisson (32.78381s) started
T000 << 1486985440.75160503 Poisson (36.77370s) stopped
T000 >> 1486985440.75166941 Hartree integrate/restrict (3.63500s) started
T000 << 1486985440.76508260 Hartree integrate/restrict (3.64841s) stopped
T000 >> 1486985440.76516199 Hartree integrate/restrict (3.64844s) started
T000 << 1486985441.26813531 Hartree integrate/restrict (4.15141s) stopped
T000 >> 1486985441.26817441 Calculate atomic Hamiltonians (0.46774s) started
T000 << 1486985441.32154942 Calculate atomic Hamiltonians (0.52111s) stopped
T000 >> 1486985441.32157564 Atomic (3.22158s) started
T000 >> 1486985441.35363221 XC Correction (2.36413s) started
T000 << 1486985441.69025493 XC Correction (2.70075s) stopped
T000 << 1486985441.77985549 Atomic (3.67986s) stopped
T000 >> 1486985441.78005528 Communicate (0.75431s) started
T000 << 1486985441.86959553 Communicate (0.84385s) stopped
T000 << 1486985441.86961865 Hamiltonian (110.21781s) stopped
T000 >> 1486985441.86978221 LCAO eigensolver (826.73497s) started
T000 >> 1486985441.86979246 Potential matrix (0.08592s) started
T000 << 1486985441.88049936 Potential matrix (0.09662s) stopped
T000 >> 1486985441.88055992 ScipyAtomicCorrection (1.41369s) started
T000 << 1486985442.05307531 ScipyAtomicCorrection (1.58621s) stopped
T000 >> 1486985442.05311131 Distribute overlap matrix (78.06719s) started
T000 >> 1486985442.05312896 blocked summation (31.42969s) started
T000 << 1486985445.95036983 blocked summation (35.32693s) stopped
T000 >> 1486985445.95552588 Scalapack redistribute (46.59362s) started
T000 << 1486985451.82782245 Scalapack redistribute (52.46592s) stopped
T000 << 1486985451.82802033 Distribute overlap matrix (87.84210s) stopped
T000 >> 1486985451.83151746 Blacs Orbital Layouts (746.51267s) started
T000 >> 1486985451.83406377 General diagonalize (745.38028s) started
T000 << 1486985544.87683201 General diagonalize (838.42304s) stopped
T000 >> 1486985544.87691617 Redistribute coefs (0.54318s) started
T000 << 1486985544.94409227 Redistribute coefs (0.61036s) stopped
T000 >> 1486985544.94412065 Send coefs to domains (0.56704s) started
T000 << 1486985545.00548053 Send coefs to domains (0.62840s) stopped
T000 << 1486985545.00553155 Blacs Orbital Layouts (839.68669s) stopped
T000 >> 1486985545.00554657 Calculate projections (0.62486s) started
T000 << 1486985545.08447289 Calculate projections (0.70379s) stopped
T000 << 1486985545.08451343 LCAO eigensolver (929.94970s) stopped
T000 >> 1486985545.09877014 Density (157.68644s) started
T000 >> 1486985545.09878707 Pseudo density (101.36707s) started
T000 >> 1486985545.10434866 Calculate density matrix (97.70279s) started
T000 << 1486985557.25977302 Calculate density matrix (109.85822s) stopped
T000 >> 1486985557.25983834 Construct density (0.08750s) started
T000 << 1486985557.27065992 Construct density (0.09833s) stopped
T000 >> 1486985557.64579988 Symmetrize density (0.00073s) started
T000 << 1486985557.64584613 Symmetrize density (0.00077s) stopped
T000 << 1486985557.65390038 Pseudo density (113.92218s) stopped
T000 >> 1486985557.65393257 Atomic density matrices (49.31649s) started
T000 << 1486985563.78644562 Atomic density matrices (55.44900s) stopped
T000 >> 1486985563.78647161 Multipole moments (0.67749s) started
T000 << 1486985563.87401104 Multipole moments (0.76503s) stopped
T000 >> 1486985563.87404060 Normalize (0.26169s) started
T000 << 1486985563.89555717 Normalize (0.28321s) stopped
T000 >> 1486985563.89560294 Mix (6.06315s) started
T000 << 1486985564.75227189 Mix (6.91982s) stopped
T000 << 1486985564.75231385 Density (177.33998s) stopped
T000 >> 1486985564.75233150 Hamiltonian (110.21781s) started
T000 >> 1486985564.75234389 vbar (0.07978s) started
T000 << 1486985564.76060915 vbar (0.08805s) stopped
T000 >> 1486985564.76066232 XC 3D grid (64.16556s) started
T000 >> 1486985564.76082397 van der Waals (63.82558s) started
T000 >> 1486985564.76083279 semilocal (6.05588s) started
T000 << 1486985565.51455069 semilocal (6.80960s) stopped
T000 << 1486985572.79912710 van der Waals (71.86388s) stopped
T000 << 1486985572.86254358 XC 3D grid (72.26744s) stopped
T000 >> 1486985572.86256933 Poisson (36.77375s) started
T000 << 1486985576.71118450 Poisson (40.62237s) stopped
T000 >> 1486985576.71122503 Hartree integrate/restrict (4.15144s) started
T000 << 1486985576.72430944 Hartree integrate/restrict (4.16452s) stopped
T000 >> 1486985576.72447491 Hartree integrate/restrict (4.16460s) started
T000 << 1486985577.23523283 Hartree integrate/restrict (4.67536s) stopped
T000 >> 1486985577.23526335 Calculate atomic Hamiltonians (0.52113s) started
T000 << 1486985577.29025412 Calculate atomic Hamiltonians (0.57612s) stopped
T000 >> 1486985577.29027867 Atomic (3.67988s) started
T000 >> 1486985577.33480430 XC Correction (2.70077s) started
T000 << 1486985577.67213988 XC Correction (3.03811s) stopped
T000 << 1486985577.74973130 Atomic (4.13933s) stopped
T000 >> 1486985577.74992967 Communicate (0.84387s) started
T000 << 1486985577.89365816 Communicate (0.98760s) stopped
T000 << 1486985577.89367986 Hamiltonian (123.35916s) stopped
T000 >> 1486985577.89384127 LCAO eigensolver (929.94971s) started
T000 >> 1486985577.89385009 Potential matrix (0.09665s) started
T000 << 1486985577.90454245 Potential matrix (0.10734s) stopped
T000 >> 1486985577.90458059 ScipyAtomicCorrection (1.58624s) started
T000 << 1486985578.07460809 ScipyAtomicCorrection (1.75626s) stopped
T000 >> 1486985578.07465601 Distribute overlap matrix (87.84211s) started
T000 >> 1486985578.07467389 blocked summation (35.32697s) started
T000 << 1486985581.97880840 blocked summation (39.23110s) stopped
T000 >> 1486985581.98363590 Scalapack redistribute (52.46611s) started
T000 << 1486985587.73441219 Scalapack redistribute (58.21688s) stopped
T000 << 1486985587.73444319 Distribute overlap matrix (97.50190s) stopped
T000 >> 1486985587.73793411 Blacs Orbital Layouts (839.68670s) started
T000 >> 1486985587.74023128 General diagonalize (838.42311s) started
T000 << 1486985679.98907256 General diagonalize (930.67195s) stopped
T000 >> 1486985679.98915291 Redistribute coefs (0.61038s) started
T000 << 1486985680.05278802 Redistribute coefs (0.67401s) stopped
T000 >> 1486985680.05283523 Send coefs to domains (0.62843s) started
T000 << 1486985680.11190081 Send coefs to domains (0.68750s) stopped
T000 << 1486985680.11195040 Blacs Orbital Layouts (932.06071s) stopped
T000 >> 1486985680.11196661 Calculate projections (0.70382s) started
T000 << 1486985680.19429040 Calculate projections (0.78614s) stopped
T000 << 1486985680.19433141 LCAO eigensolver (1032.25020s) stopped
T000 >> 1486985680.20759964 Density (177.33999s) started
T000 >> 1486985680.20761514 Pseudo density (113.92220s) started
T000 >> 1486985680.21329784 Calculate density matrix (109.85826s) started
T000 << 1486985692.52183437 Calculate density matrix (122.16680s) stopped
T000 >> 1486985692.52189517 Construct density (0.09834s) started
T000 << 1486985692.53272915 Construct density (0.10917s) stopped
T000 >> 1486985692.91333556 Symmetrize density (0.00079s) started
T000 << 1486985692.91340375 Symmetrize density (0.00086s) stopped
T000 << 1486985692.92154121 Pseudo density (126.63613s) stopped
T000 >> 1486985692.92157245 Atomic density matrices (55.44902s) started
T000 << 1486985699.05311990 Atomic density matrices (61.58057s) stopped
T000 >> 1486985699.05314469 Multipole moments (0.76505s) started
T000 << 1486985699.13198280 Multipole moments (0.84389s) stopped
T000 >> 1486985699.13201523 Normalize (0.28324s) started
T000 << 1486985699.15105486 Normalize (0.30228s) stopped
T000 >> 1486985699.15111232 Mix (6.91986s) started
T000 << 1486985700.03018713 Mix (7.79894s) stopped
T000 << 1486985700.03022528 Density (197.16261s) stopped
T000 >> 1486985700.03025270 Hamiltonian (123.35917s) started
T000 >> 1486985700.03026390 vbar (0.08809s) started
T000 << 1486985700.03916144 vbar (0.09699s) stopped
T000 >> 1486985700.03921413 XC 3D grid (72.26746s) started
T000 >> 1486985700.03937268 van der Waals (71.86393s) started
T000 >> 1486985700.03938150 semilocal (6.80963s) started
T000 << 1486985700.79348707 semilocal (7.56374s) stopped
T000 << 1486985708.05837202 van der Waals (79.88293s) stopped
T000 << 1486985708.09752584 XC 3D grid (80.32577s) stopped
T000 >> 1486985708.09755349 Poisson (40.62240s) started
T000 << 1486985710.52301931 Poisson (43.04786s) stopped
T000 >> 1486985710.52305889 Hartree integrate/restrict (4.67538s) started
T000 << 1486985710.53769183 Hartree integrate/restrict (4.69001s) stopped
T000 >> 1486985710.53776836 Hartree integrate/restrict (4.69005s) started
T000 << 1486985711.05212045 Hartree integrate/restrict (5.20440s) stopped
T000 >> 1486985711.05215478 Calculate atomic Hamiltonians (0.57614s) started
T000 << 1486985711.10242510 Calculate atomic Hamiltonians (0.62641s) stopped
T000 >> 1486985711.10245848 Atomic (4.13935s) started
T000 >> 1486985711.12432718 XC Correction (3.03813s) started
T000 << 1486985711.46134639 XC Correction (3.37515s) stopped
T000 << 1486985711.52858257 Atomic (4.56547s) stopped
T000 >> 1486985711.52880621 Communicate (0.98761s) started
T000 << 1486985711.66029668 Communicate (1.11910s) stopped
T000 << 1486985711.66032171 Hamiltonian (134.98924s) stopped
T000 >> 1486985711.66048265 LCAO eigensolver (1032.25021s) started
T000 >> 1486985711.66049123 Potential matrix (0.10736s) started
T000 << 1486985711.67122412 Potential matrix (0.11809s) stopped
T000 >> 1486985711.67127919 ScipyAtomicCorrection (1.75629s) started
T000 << 1486985711.84429765 ScipyAtomicCorrection (1.92931s) stopped
T000 >> 1486985711.84433270 Distribute overlap matrix (97.50190s) started
T000 >> 1486985711.84434867 blocked summation (39.23114s) started
T000 << 1486985715.93871641 blocked summation (43.32550s) stopped
T000 >> 1486985715.94427180 Scalapack redistribute (58.21691s) started
T000 << 1486985721.62305188 Scalapack redistribute (63.89569s) stopped
T000 << 1486985721.62309694 Distribute overlap matrix (107.28067s) stopped
T000 >> 1486985721.62656760 Blacs Orbital Layouts (932.06072s) started
T000 >> 1486985721.62906885 General diagonalize (930.67202s) started
T000 << 1486985814.21610427 General diagonalize (1023.25905s) stopped
T000 >> 1486985814.21618867 Redistribute coefs (0.67405s) started
T000 << 1486985814.28038311 Redistribute coefs (0.73825s) stopped
T000 >> 1486985814.28041959 Send coefs to domains (0.68753s) started
T000 << 1486985814.36751819 Send coefs to domains (0.77463s) stopped
T000 << 1486985814.36756968 Blacs Orbital Layouts (1024.80172s) stopped
T000 >> 1486985814.36758733 Calculate projections (0.78617s) started
T000 << 1486985814.43689656 Calculate projections (0.85548s) stopped
T000 << 1486985814.43693662 LCAO eigensolver (1135.02666s) stopped
T000 >> 1486985814.43891168 Density (197.16262s) started
T000 >> 1486985814.43892550 Pseudo density (126.63615s) started
T000 >> 1486985814.44448876 Calculate density matrix (122.16684s) started
T000 << 1486985826.64985728 Calculate density matrix (134.37221s) stopped
T000 >> 1486985826.64995098 Construct density (0.10919s) started
T000 << 1486985826.66079235 Construct density (0.12003s) stopped
T000 >> 1486985827.03531075 Symmetrize density (0.00087s) started
T000 << 1486985827.03538299 Symmetrize density (0.00094s) stopped
T000 << 1486985827.04308176 Pseudo density (139.24030s) stopped
T000 >> 1486985827.04311585 Atomic density matrices (61.58059s) started
T000 << 1486985833.18154335 Atomic density matrices (67.71902s) stopped
T000 >> 1486985833.18156958 Multipole moments (0.84391s) started
T000 << 1486985833.23939443 Multipole moments (0.90174s) stopped
T000 >> 1486985833.23942375 Normalize (0.30233s) started
T000 << 1486985833.25925469 Normalize (0.32216s) stopped
T000 >> 1486985833.25931263 Mix (7.79897s) started
T000 << 1486985834.11208534 Mix (8.65175s) stopped
T000 << 1486985834.11214781 Density (216.83586s) stopped
T000 >> 1486985834.11217904 Hamiltonian (134.98925s) started
T000 >> 1486985834.11219668 vbar (0.09702s) started
T000 << 1486985834.12087297 vbar (0.10570s) stopped
T000 >> 1486985834.12092066 XC 3D grid (80.32579s) started
T000 >> 1486985834.12108707 van der Waals (79.88302s) started
T000 >> 1486985834.12109661 semilocal (7.56377s) started
T000 << 1486985834.87540269 semilocal (8.31808s) stopped
T000 << 1486985842.14430881 van der Waals (87.90624s) stopped
T000 << 1486985842.19952059 XC 3D grid (88.40439s) stopped
T000 >> 1486985842.19954705 Poisson (43.04790s) started
T000 << 1486985844.93236756 Poisson (45.78072s) stopped
T000 >> 1486985844.93240571 Hartree integrate/restrict (5.20442s) started
T000 << 1486985844.94589806 Hartree integrate/restrict (5.21792s) stopped
T000 >> 1486985844.94603825 Hartree integrate/restrict (5.21799s) started
T000 << 1486985845.45021009 Hartree integrate/restrict (5.72216s) stopped
T000 >> 1486985845.45024252 Calculate atomic Hamiltonians (0.62643s) started
T000 << 1486985845.50102997 Calculate atomic Hamiltonians (0.67722s) stopped
T000 >> 1486985845.50106716 Atomic (4.56549s) started
T000 >> 1486985845.52913761 XC Correction (3.37517s) started
T000 << 1486985845.86745691 XC Correction (3.71349s) stopped
T000 << 1486985845.93480825 Atomic (4.99923s) stopped
T000 >> 1486985845.93500113 Communicate (1.11911s) started
T000 << 1486985846.07598066 Communicate (1.26009s) stopped
T000 << 1486985846.07600355 Hamiltonian (146.95307s) stopped
T000 >> 1486985846.07616043 LCAO eigensolver (1135.02667s) started
T000 >> 1486985846.07616973 Potential matrix (0.11812s) started
T000 << 1486985846.08686352 Potential matrix (0.12881s) stopped
T000 >> 1486985846.08691978 ScipyAtomicCorrection (1.92934s) started
T000 << 1486985846.26088476 ScipyAtomicCorrection (2.10331s) stopped
T000 >> 1486985846.26093245 Distribute overlap matrix (107.28068s) started
T000 >> 1486985846.26095271 blocked summation (43.32554s) started
T000 << 1486985850.22915292 blocked summation (47.29374s) stopped
T000 >> 1486985850.23386288 Scalapack redistribute (63.89572s) started
T000 << 1486985856.01779151 Scalapack redistribute (69.67965s) stopped
T000 << 1486985856.01782155 Distribute overlap matrix (117.03756s) stopped
T000 >> 1486985856.02182794 Blacs Orbital Layouts (1024.80173s) started
T000 >> 1486985856.02618074 General diagonalize (1023.25912s) started
T000 << 1486985949.25378847 General diagonalize (1116.48673s) stopped
T000 >> 1486985949.25387001 Redistribute coefs (0.73828s) started
T000 << 1486985949.31686831 Redistribute coefs (0.80128s) stopped
T000 >> 1486985949.31690145 Send coefs to domains (0.77467s) started
T000 << 1486985949.38975358 Send coefs to domains (0.84752s) stopped
T000 << 1486985949.38980150 Blacs Orbital Layouts (1118.16971s) stopped
T000 >> 1486985949.38982058 Calculate projections (0.85551s) started
T000 << 1486985949.46623898 Calculate projections (0.93193s) stopped
T000 << 1486985949.46627927 LCAO eigensolver (1238.41679s) stopped
T000 >> 1486985949.46826625 Density (216.83587s) started
T000 >> 1486985949.46828008 Pseudo density (139.24033s) started
T000 >> 1486985949.47396708 Calculate density matrix (134.37228s) started
T000 << 1486985961.75895119 Calculate density matrix (146.65726s) stopped
T000 >> 1486985961.75901937 Construct density (0.12004s) started
T000 << 1486985961.76994133 Construct density (0.13097s) stopped
T000 >> 1486985962.30996752 Symmetrize density (0.00095s) started
T000 << 1486985962.31002903 Symmetrize density (0.00102s) stopped
T000 << 1486985962.31794381 Pseudo density (152.08999s) stopped
T000 >> 1486985962.31797433 Atomic density matrices (67.71903s) started
T000 << 1486985968.44679594 Atomic density matrices (73.84786s) stopped
T000 >> 1486985968.44683862 Multipole moments (0.90176s) started
T000 << 1486985968.51610398 Multipole moments (0.97103s) stopped
T000 >> 1486985968.51613593 Normalize (0.32221s) started
T000 << 1486985968.57720399 Normalize (0.38328s) stopped
T000 >> 1486985968.57723641 Mix (8.65180s) started
T000 << 1486985969.37191653 Mix (9.44648s) stopped
T000 << 1486985969.37194490 Density (236.73955s) stopped
T000 >> 1486985969.37196827 Hamiltonian (146.95308s) started
T000 >> 1486985969.37198305 vbar (0.10574s) started
T000 << 1486985969.38034391 vbar (0.11410s) stopped
T000 >> 1486985969.38039494 XC 3D grid (88.40441s) started
T000 >> 1486985969.38055778 van der Waals (87.90633s) started
T000 >> 1486985969.38056684 semilocal (8.31811s) started
T000 << 1486985970.12996435 semilocal (9.06751s) stopped
T000 << 1486985977.31696558 van der Waals (95.84274s) stopped
T000 << 1486985977.35651422 XC 3D grid (96.38053s) stopped
T000 >> 1486985977.35654569 Poisson (45.78075s) started
T000 << 1486985980.04526019 Poisson (48.46946s) stopped
T000 >> 1486985980.04530215 Hartree integrate/restrict (5.72218s) started
T000 << 1486985980.05849838 Hartree integrate/restrict (5.73538s) stopped
T000 >> 1486985980.05866718 Hartree integrate/restrict (5.73545s) started
T000 << 1486985980.55495143 Hartree integrate/restrict (6.23173s) stopped
T000 >> 1486985980.55500436 Calculate atomic Hamiltonians (0.67725s) started
T000 << 1486985980.63116717 Calculate atomic Hamiltonians (0.75341s) stopped
T000 >> 1486985980.63119459 Atomic (4.99924s) started
T000 >> 1486985980.65609479 XC Correction (3.71351s) started
T000 << 1486985980.99398875 XC Correction (4.05140s) stopped
T000 << 1486985981.06194401 Atomic (5.42999s) stopped
T000 >> 1486985981.06214547 Communicate (1.26010s) started
T000 << 1486985981.17773461 Communicate (1.37569s) stopped
T000 << 1486985981.17775154 Hamiltonian (158.75886s) stopped
T000 >> 1486985981.17791319 LCAO eigensolver (1238.41680s) started
T000 >> 1486985981.17792201 Potential matrix (0.12884s) started
T000 << 1486985981.18865633 Potential matrix (0.13957s) stopped
T000 >> 1486985981.18871665 ScipyAtomicCorrection (2.10335s) started
T000 << 1486985981.38808370 ScipyAtomicCorrection (2.30271s) stopped
T000 >> 1486985981.38812613 Distribute overlap matrix (117.03761s) started
T000 >> 1486985981.38814592 blocked summation (47.29377s) started
T000 << 1486985985.26956701 blocked summation (51.17519s) stopped
T000 >> 1486985985.27527857 Scalapack redistribute (69.67967s) started
T000 << 1486985991.09488845 Scalapack redistribute (75.49928s) stopped
T000 << 1486985991.09491897 Distribute overlap matrix (126.74440s) stopped
T000 >> 1486985991.09853172 Blacs Orbital Layouts (1118.16972s) started
T000 >> 1486985991.10085654 General diagonalize (1116.48680s) started
T000 << 1486986082.98586035 General diagonalize (1208.37180s) stopped
T000 >> 1486986082.98594141 Redistribute coefs (0.80130s) started
T000 << 1486986083.04991937 Redistribute coefs (0.86528s) stopped
T000 >> 1486986083.04994869 Send coefs to domains (0.84755s) started
T000 << 1486986083.10601616 Send coefs to domains (0.90362s) stopped
T000 << 1486986083.10606122 Blacs Orbital Layouts (1210.17725s) stopped
T000 >> 1486986083.10607934 Calculate projections (0.93196s) started
T000 << 1486986083.18814373 Calculate projections (1.01403s) stopped
T000 << 1486986083.18818235 LCAO eigensolver (1340.42706s) stopped
T000 >> 1486986083.20661640 Density (236.73956s) started
T000 >> 1486986083.20663190 Pseudo density (152.09001s) started
T000 >> 1486986083.21269083 Calculate density matrix (146.65731s) started
T000 << 1486986095.19029999 Calculate density matrix (158.63492s) stopped
T000 >> 1486986095.19036531 Construct density (0.13099s) started
T000 << 1486986095.20122313 Construct density (0.14185s) stopped
T000 >> 1486986095.75990748 Symmetrize density (0.00103s) started
T000 << 1486986095.75995207 Symmetrize density (0.00107s) stopped
T000 << 1486986095.76795650 Pseudo density (164.65134s) stopped
T000 >> 1486986095.76798844 Atomic density matrices (73.84789s) started
T000 << 1486986101.91529512 Atomic density matrices (79.99519s) stopped
T000 >> 1486986101.91532326 Multipole moments (0.97105s) started
T000 << 1486986101.99353361 Multipole moments (1.04926s) stopped
T000 >> 1486986101.99355841 Normalize (0.38330s) started
T000 << 1486986102.02297044 Normalize (0.41271s) stopped
T000 >> 1486986102.02305675 Mix (9.44651s) started
T000 << 1486986102.90724921 Mix (10.33071s) stopped
T000 << 1486986102.90731740 Density (256.44026s) stopped
T000 >> 1486986102.90734196 Hamiltonian (158.75887s) started
T000 >> 1486986102.90735745 vbar (0.11413s) started
T000 << 1486986102.91586494 vbar (0.12264s) stopped
T000 >> 1486986102.91590405 XC 3D grid (96.38056s) started
T000 >> 1486986102.91606021 van der Waals (95.84284s) started
T000 >> 1486986102.91606879 semilocal (9.06755s) started
T000 << 1486986103.65717769 semilocal (9.80865s) stopped
T000 << 1486986110.91736078 van der Waals (103.84414s) stopped
T000 << 1486986110.97038507 XC 3D grid (104.43504s) stopped
T000 >> 1486986110.97041988 Poisson (48.46949s) started
T000 << 1486986114.01634812 Poisson (51.51542s) stopped
T000 >> 1486986114.01638889 Hartree integrate/restrict (6.23177s) started
T000 << 1486986114.02991962 Hartree integrate/restrict (6.24530s) stopped
T000 >> 1486986114.03007317 Hartree integrate/restrict (6.24538s) started
T000 << 1486986114.54345798 Hartree integrate/restrict (6.75876s) stopped
T000 >> 1486986114.54349446 Calculate atomic Hamiltonians (0.75343s) started
T000 << 1486986114.60229778 Calculate atomic Hamiltonians (0.81223s) stopped
T000 >> 1486986114.60232258 Atomic (5.43001s) started
T000 >> 1486986114.62367415 XC Correction (4.05142s) started
T000 << 1486986114.95975423 XC Correction (4.38750s) stopped
T000 << 1486986115.03003049 Atomic (5.85771s) stopped
T000 >> 1486986115.03022909 Communicate (1.37570s) started
T000 << 1486986115.14694476 Communicate (1.49242s) stopped
T000 << 1486986115.14696383 Hamiltonian (170.99849s) stopped
T000 >> 1486986115.14713192 LCAO eigensolver (1340.42707s) started
T000 >> 1486986115.14714170 Potential matrix (0.13960s) started
T000 << 1486986115.15784192 Potential matrix (0.15030s) stopped
T000 >> 1486986115.15789485 ScipyAtomicCorrection (2.30275s) started
T000 << 1486986115.33260751 ScipyAtomicCorrection (2.47746s) stopped
T000 >> 1486986115.33267593 Distribute overlap matrix (126.74441s) started
T000 >> 1486986115.33270359 blocked summation (51.17523s) started
T000 << 1486986119.22458935 blocked summation (55.06711s) stopped
T000 >> 1486986119.22909904 Scalapack redistribute (75.49930s) started
T000 << 1486986125.08802652 Scalapack redistribute (81.35823s) stopped
T000 << 1486986125.08810854 Distribute overlap matrix (136.49984s) stopped
T000 >> 1486986125.09165072 Blacs Orbital Layouts (1210.17726s) started
T000 >> 1486986125.09387589 General diagonalize (1208.37187s) started
T000 << 1486986218.34621453 General diagonalize (1301.62420s) stopped
T000 >> 1486986218.34629440 Redistribute coefs (0.86530s) started
T000 << 1486986218.40981817 Redistribute coefs (0.92883s) stopped
T000 >> 1486986218.40984559 Send coefs to domains (0.90365s) started
T000 << 1486986218.46614766 Send coefs to domains (0.95995s) stopped
T000 << 1486986218.46619439 Blacs Orbital Layouts (1303.55181s) stopped
T000 >> 1486986218.46621346 Calculate projections (1.01405s) started
T000 << 1486986218.54824805 Calculate projections (1.09609s) stopped
T000 << 1486986218.54828954 LCAO eigensolver (1443.82823s) stopped
T000 >> 1486986218.55988741 Density (256.44027s) started
T000 >> 1486986218.55990243 Pseudo density (164.65136s) started
T000 >> 1486986218.56541753 Calculate density matrix (158.63496s) started
T000 << 1486986230.82082915 Calculate density matrix (170.89037s) stopped
T000 >> 1486986230.82089567 Construct density (0.14188s) started
T000 << 1486986230.83173633 Construct density (0.15272s) stopped
T000 >> 1486986231.40196323 Symmetrize density (0.00108s) started
T000 << 1486986231.40201139 Symmetrize density (0.00113s) stopped
T000 << 1486986231.40993309 Pseudo density (177.50139s) stopped
T000 >> 1486986231.40996623 Atomic density matrices (79.99521s) started
T000 << 1486986237.54517961 Atomic density matrices (86.13043s) stopped
T000 >> 1486986237.54520535 Multipole moments (1.04928s) started
T000 << 1486986237.65357852 Multipole moments (1.15765s) stopped
T000 >> 1486986237.65361238 Normalize (0.41279s) started
T000 << 1486986237.67993140 Normalize (0.43911s) stopped
T000 >> 1486986237.67997336 Mix (10.33077s) started
T000 << 1486986238.50549722 Mix (11.15630s) stopped
T000 << 1486986238.50556707 Density (276.38595s) stopped
T000 >> 1486986238.50559378 Hamiltonian (170.99850s) started
T000 >> 1486986238.50561333 vbar (0.12267s) started
T000 << 1486986238.51431727 vbar (0.13137s) stopped
T000 >> 1486986238.51435256 XC 3D grid (104.43507s) started
T000 >> 1486986238.51448584 van der Waals (103.84420s) started
T000 >> 1486986238.51449418 semilocal (9.80869s) started
T000 << 1486986239.26553297 semilocal (10.55973s) stopped
T000 << 1486986246.57479477 van der Waals (111.90451s) stopped
T000 << 1486986246.62895536 XC 3D grid (112.54967s) stopped
T000 >> 1486986246.62898302 Poisson (51.51545s) started
T000 << 1486986249.30216217 Poisson (54.18863s) stopped
T000 >> 1486986249.30220270 Hartree integrate/restrict (6.75879s) started
T000 << 1486986249.31517768 Hartree integrate/restrict (6.77176s) stopped
T000 >> 1486986249.31531668 Hartree integrate/restrict (6.77183s) started
T000 << 1486986249.82251263 Hartree integrate/restrict (7.27903s) stopped
T000 >> 1486986249.82254982 Calculate atomic Hamiltonians (0.81225s) started
T000 << 1486986249.92067003 Calculate atomic Hamiltonians (0.91037s) stopped
T000 >> 1486986249.92071056 Atomic (5.85773s) started
T000 >> 1486986249.94867492 XC Correction (4.38753s) started
T000 << 1486986250.28381395 XC Correction (4.72267s) stopped
T000 << 1486986250.35339189 Atomic (6.29041s) stopped
T000 >> 1486986250.35363555 Communicate (1.49243s) started
T000 << 1486986250.50005078 Communicate (1.63884s) stopped
T000 << 1486986250.50006914 Hamiltonian (182.99297s) stopped
T000 >> 1486986250.50031209 LCAO eigensolver (1443.82824s) started
T000 >> 1486986250.50032187 Potential matrix (0.15032s) started
T000 << 1486986250.51101589 Potential matrix (0.16102s) stopped
T000 >> 1486986250.51106954 ScipyAtomicCorrection (2.47752s) started
T000 << 1486986250.68087554 ScipyAtomicCorrection (2.64732s) stopped
T000 >> 1486986250.68091273 Distribute overlap matrix (136.49985s) started
T000 >> 1486986250.68093085 blocked summation (55.06714s) started
T000 << 1486986254.57712817 blocked summation (58.96334s) stopped
T000 >> 1486986254.58195472 Scalapack redistribute (81.35830s) started
T000 << 1486986260.48189688 Scalapack redistribute (87.25824s) stopped
T000 << 1486986260.48193026 Distribute overlap matrix (146.30087s) stopped
T000 >> 1486986260.48554420 Blacs Orbital Layouts (1303.55182s) started
T000 >> 1486986260.48928857 General diagonalize (1301.62427s) started
T000 << 1486986352.89528966 General diagonalize (1394.03027s) stopped
T000 >> 1486986352.89537239 Redistribute coefs (0.92885s) started
T000 << 1486986352.96548700 Redistribute coefs (0.99896s) stopped
T000 >> 1486986352.96552348 Send coefs to domains (0.95998s) started
T000 << 1486986353.02149653 Send coefs to domains (1.01595s) stopped
T000 << 1486986353.02155066 Blacs Orbital Layouts (1396.08782s) stopped
T000 >> 1486986353.02157140 Calculate projections (1.09612s) started
T000 << 1486986353.09511948 Calculate projections (1.16967s) stopped
T000 << 1486986353.09516168 LCAO eigensolver (1546.42309s) stopped
T000 >> 1486986353.12199235 Density (276.38596s) started
T000 >> 1486986353.12200713 Pseudo density (177.50141s) started
T000 >> 1486986353.12746978 Calculate density matrix (170.89042s) started
T000 << 1486986365.35918689 Calculate density matrix (183.12214s) stopped
T000 >> 1486986365.35925293 Construct density (0.15274s) started
T000 << 1486986365.37009549 Construct density (0.16358s) stopped
T000 >> 1486986365.87838793 Symmetrize density (0.00114s) started
T000 << 1486986365.87845182 Symmetrize density (0.00120s) stopped
T000 << 1486986365.88669276 Pseudo density (190.26609s) stopped
T000 >> 1486986365.88672590 Atomic density matrices (86.13045s) started
T000 << 1486986372.08189845 Atomic density matrices (92.32562s) stopped
T000 >> 1486986372.08192515 Multipole moments (1.15768s) started
T000 << 1486986372.15742135 Multipole moments (1.23317s) stopped
T000 >> 1486986372.15745139 Normalize (0.43914s) started
T000 << 1486986372.18693805 Normalize (0.46862s) stopped
T000 >> 1486986372.18698955 Mix (11.15636s) started
T000 << 1486986373.01001048 Mix (11.97938s) stopped
T000 << 1486986373.01008415 Density (296.27405s) stopped
T000 >> 1486986373.01011086 Hamiltonian (182.99298s) started
T000 >> 1486986373.01013041 vbar (0.13140s) started
T000 << 1486986373.01896501 vbar (0.14023s) stopped
T000 >> 1486986373.01898980 XC 3D grid (112.54969s) started
T000 >> 1486986373.01911950 van der Waals (111.90457s) started
T000 >> 1486986373.01912808 semilocal (10.55976s) started
T000 << 1486986373.77423596 semilocal (11.31487s) stopped
T000 << 1486986381.11887765 van der Waals (120.00433s) stopped
T000 << 1486986381.15873408 XC 3D grid (120.68944s) stopped
T000 >> 1486986381.15875793 Poisson (54.18866s) started
T000 << 1486986383.47991991 Poisson (56.50982s) stopped
T000 >> 1486986383.47995949 Hartree integrate/restrict (7.27905s) started
T000 << 1486986383.49327326 Hartree integrate/restrict (7.29237s) stopped
T000 >> 1486986383.49342656 Hartree integrate/restrict (7.29244s) started
T000 << 1486986383.99258256 Hartree integrate/restrict (7.79160s) stopped
T000 >> 1486986383.99263024 Calculate atomic Hamiltonians (0.91040s) started
T000 << 1486986384.06254816 Calculate atomic Hamiltonians (0.98031s) stopped
T000 >> 1486986384.06258154 Atomic (6.29043s) started
T000 >> 1486986384.09176254 XC Correction (4.72269s) started
T000 << 1486986384.42921281 XC Correction (5.06014s) stopped
T000 << 1486986384.51687193 Atomic (6.74472s) stopped
T000 >> 1486986384.51703405 Communicate (1.63885s) started
T000 << 1486986384.64938378 Communicate (1.77120s) stopped
T000 << 1486986384.64941478 Hamiltonian (194.63228s) stopped
T000 >> 1486986384.64957643 LCAO eigensolver (1546.42310s) started
T000 >> 1486986384.64958549 Potential matrix (0.16105s) started
T000 << 1486986384.66035366 Potential matrix (0.17181s) stopped
T000 >> 1486986384.66041064 ScipyAtomicCorrection (2.64735s) started
T000 << 1486986384.83224893 ScipyAtomicCorrection (2.81919s) stopped
T000 >> 1486986384.83228755 Distribute overlap matrix (146.30088s) started
T000 >> 1486986384.83230472 blocked summation (58.96337s) started
T000 << 1486986388.71201730 blocked summation (62.84308s) stopped
T000 >> 1486986388.71708131 Scalapack redistribute (87.25827s) started
T000 << 1486986394.56438684 Scalapack redistribute (93.10557s) stopped
T000 << 1486986394.56442451 Distribute overlap matrix (156.03301s) stopped
T000 >> 1486986394.56794786 Blacs Orbital Layouts (1396.08784s) started
T000 >> 1486986394.57024360 General diagonalize (1394.03034s) started
T000 << 1486986488.25685835 General diagonalize (1487.71695s) stopped
T000 >> 1486986488.25694299 Redistribute coefs (0.99899s) started
T000 << 1486986488.31963420 Redistribute coefs (1.06169s) stopped
T000 >> 1486986488.31967187 Send coefs to domains (1.01599s) started
T000 << 1486986488.37558699 Send coefs to domains (1.07191s) stopped
T000 << 1486986488.37563515 Blacs Orbital Layouts (1489.89553s) stopped
T000 >> 1486986488.37565970 Calculate projections (1.16970s) started
T000 << 1486986488.45753741 Calculate projections (1.25158s) stopped
T000 << 1486986488.45757890 LCAO eigensolver (1650.23110s) stopped
T000 >> 1486986488.46801877 Density (296.27406s) started
T000 >> 1486986488.46803403 Pseudo density (190.26612s) started
T000 >> 1486986488.47353435 Calculate density matrix (183.12218s) started
T000 << 1486986500.16158628 Calculate density matrix (194.81023s) stopped
T000 >> 1486986500.16169310 Construct density (0.16360s) started
T000 << 1486986500.17254210 Construct density (0.17445s) stopped
T000 >> 1486986500.68940449 Symmetrize density (0.00122s) started
T000 << 1486986500.68947721 Symmetrize density (0.00129s) stopped
T000 << 1486986500.69778895 Pseudo density (202.49587s) stopped
T000 >> 1486986500.69782114 Atomic density matrices (92.32564s) started
T000 << 1486986506.88457346 Atomic density matrices (98.51239s) stopped
T000 >> 1486986506.88460088 Multipole moments (1.23319s) started
T000 << 1486986506.96064973 Multipole moments (1.30924s) stopped
T000 >> 1486986506.96067548 Normalize (0.46866s) started
T000 << 1486986506.98726010 Normalize (0.49525s) stopped
T000 >> 1486986506.98731041 Mix (11.97946s) started
T000 << 1486986507.81746364 Mix (12.80961s) stopped
T000 << 1486986507.81753635 Density (315.62358s) stopped
T000 >> 1486986507.81757307 Hamiltonian (194.63229s) started
T000 >> 1486986507.81759071 vbar (0.14025s) started
T000 << 1486986507.82615256 vbar (0.14881s) stopped
T000 >> 1486986507.82619262 XC 3D grid (120.68945s) started
T000 >> 1486986507.82632852 van der Waals (120.00442s) started
T000 >> 1486986507.82633901 semilocal (11.31490s) started
T000 << 1486986508.57590508 semilocal (12.06447s) stopped
T000 << 1486986515.74178958 van der Waals (127.91988s) stopped
T000 << 1486986515.79606223 XC 3D grid (128.65932s) stopped
T000 >> 1486986515.79608607 Poisson (56.50985s) started
T000 << 1486986518.49404883 Poisson (59.20782s) stopped
T000 >> 1486986518.49408817 Hartree integrate/restrict (7.79163s) started
T000 << 1486986518.50688052 Hartree integrate/restrict (7.80443s) stopped
T000 >> 1486986518.50702929 Hartree integrate/restrict (7.80450s) started
T000 << 1486986519.01644492 Hartree integrate/restrict (8.31391s) stopped
T000 >> 1486986519.01648450 Calculate atomic Hamiltonians (0.98034s) started
T000 << 1486986519.06936526 Calculate atomic Hamiltonians (1.03322s) stopped
T000 >> 1486986519.06939030 Atomic (6.74473s) started
T000 >> 1486986519.08813071 XC Correction (5.06016s) started
T000 << 1486986519.42401433 XC Correction (5.39604s) stopped
T000 << 1486986519.50855756 Atomic (7.18390s) stopped
T000 >> 1486986519.50872517 Communicate (1.77122s) started
T000 << 1486986519.61519194 Communicate (1.87769s) stopped
T000 << 1486986519.61521053 Hamiltonian (206.42993s) stopped
T000 >> 1486986519.61538625 LCAO eigensolver (1650.23111s) started
T000 >> 1486986519.61539483 Potential matrix (0.17184s) started
T000 << 1486986519.62608743 Potential matrix (0.18254s) stopped
T000 >> 1486986519.62612844 ScipyAtomicCorrection (2.81922s) started
T000 << 1486986519.79937434 ScipyAtomicCorrection (2.99247s) stopped
T000 >> 1486986519.79941535 Distribute overlap matrix (156.03302s) started
T000 >> 1486986519.79943395 blocked summation (62.84311s) started
T000 << 1486986523.66487956 blocked summation (66.70855s) stopped
T000 >> 1486986523.66967106 Scalapack redistribute (93.10560s) started
T000 << 1486986529.54941297 Scalapack redistribute (98.98535s) stopped
T000 << 1486986529.54944301 Distribute overlap matrix (165.78305s) stopped
T000 >> 1486986529.55288458 Blacs Orbital Layouts (1489.89555s) started
T000 >> 1486986529.55529904 General diagonalize (1487.71702s) started
T000 << 1486986622.30183339 General diagonalize (1580.46356s) stopped
T000 >> 1486986622.30192566 Redistribute coefs (1.06172s) started
T000 << 1486986622.36530280 Redistribute coefs (1.12509s) stopped
T000 >> 1486986622.36535406 Send coefs to domains (1.07194s) started
T000 << 1486986622.43351340 Send coefs to domains (1.14010s) stopped
T000 << 1486986622.43357801 Blacs Orbital Layouts (1582.77624s) stopped
T000 >> 1486986622.43359971 Calculate projections (1.25160s) started
T000 << 1486986622.51424289 Calculate projections (1.33225s) stopped
T000 << 1486986622.51428962 LCAO eigensolver (1753.13001s) stopped
T000 >> 1486986622.51656795 Density (315.62359s) started
T000 >> 1486986622.51658344 Pseudo density (202.49589s) started
T000 >> 1486986622.52365375 Calculate density matrix (194.81031s) started
T000 << 1486986634.89569736 Calculate density matrix (207.18236s) stopped
T000 >> 1486986634.89576507 Construct density (0.17447s) started
T000 << 1486986634.90677190 Construct density (0.18547s) stopped
T000 >> 1486986635.40702486 Symmetrize density (0.00130s) started
T000 << 1486986635.40709281 Symmetrize density (0.00137s) stopped
T000 << 1486986635.41726804 Pseudo density (215.39658s) stopped
T000 >> 1486986635.41730595 Atomic density matrices (98.51241s) started
T000 << 1486986641.61156321 Atomic density matrices (104.70667s) stopped
T000 >> 1486986641.61159992 Multipole moments (1.30926s) started
T000 << 1486986641.68560958 Multipole moments (1.38327s) stopped
T000 >> 1486986641.68563414 Normalize (0.49529s) started
T000 << 1486986641.70574522 Normalize (0.51540s) stopped
T000 >> 1486986641.70579028 Mix (12.80968s) started
T000 << 1486986642.57305384 Mix (13.67694s) stopped
T000 << 1486986642.57308316 Density (335.68011s) stopped
T000 >> 1486986642.57310033 Hamiltonian (206.42993s) started
T000 >> 1486986642.57311249 vbar (0.14884s) started
T000 << 1486986642.58556294 vbar (0.16129s) stopped
T000 >> 1486986642.58560348 XC 3D grid (128.65934s) started
T000 >> 1486986642.58577967 van der Waals (127.91991s) started
T000 >> 1486986642.58578944 semilocal (12.06450s) started
T000 << 1486986643.33119965 semilocal (12.80991s) stopped
T000 << 1486986650.54699874 van der Waals (135.88113s) stopped
T000 << 1486986650.58816624 XC 3D grid (136.66190s) stopped
T000 >> 1486986650.58819771 Poisson (59.20785s) started
T000 << 1486986653.06062293 Poisson (61.68027s) stopped
T000 >> 1486986653.06067252 Hartree integrate/restrict (8.31394s) started
T000 << 1486986653.07651162 Hartree integrate/restrict (8.32978s) stopped
T000 >> 1486986653.07660198 Hartree integrate/restrict (8.32983s) started
T000 << 1486986653.58547163 Hartree integrate/restrict (8.83870s) stopped
T000 >> 1486986653.58550835 Calculate atomic Hamiltonians (1.03324s) started
T000 << 1486986653.64890313 Calculate atomic Hamiltonians (1.09663s) stopped
T000 >> 1486986653.64893556 Atomic (7.18391s) started
T000 >> 1486986653.68247509 XC Correction (5.39606s) started
T000 << 1486986654.01891589 XC Correction (5.73250s) stopped
T000 << 1486986654.09596467 Atomic (7.63094s) stopped
T000 >> 1486986654.09614086 Communicate (1.87770s) started
T000 << 1486986654.20659709 Communicate (1.98816s) stopped
T000 << 1486986654.20662570 Hamiltonian (218.06346s) stopped
T000 >> 1486986654.20682120 LCAO eigensolver (1753.13002s) started
T000 >> 1486986654.20683122 Potential matrix (0.18255s) started
T000 << 1486986654.21761394 Potential matrix (0.19333s) stopped
T000 >> 1486986654.21769881 ScipyAtomicCorrection (2.99250s) started
T000 << 1486986654.40105391 ScipyAtomicCorrection (3.17586s) stopped
T000 >> 1486986654.40109468 Distribute overlap matrix (165.78306s) started
T000 >> 1486986654.40111470 blocked summation (66.70858s) started
T000 << 1486986658.29856420 blocked summation (70.60603s) stopped
T000 >> 1486986658.30614400 Scalapack redistribute (98.98537s) started
T000 << 1486986664.17281604 Scalapack redistribute (104.85204s) stopped
T000 << 1486986664.17292047 Distribute overlap matrix (175.55488s) stopped
T000 >> 1486986664.17724967 Blacs Orbital Layouts (1582.77625s) started
T000 >> 1486986664.17951202 General diagonalize (1580.46363s) started
T000 << 1486986756.73159289 General diagonalize (1673.01571s) stopped
T000 >> 1486986756.73169017 Redistribute coefs (1.12514s) started
T000 << 1486986756.79603505 Redistribute coefs (1.18948s) stopped
T000 >> 1486986756.79606867 Send coefs to domains (1.14014s) started
T000 << 1486986756.86817002 Send coefs to domains (1.21224s) stopped
T000 << 1486986756.86884284 Blacs Orbital Layouts (1675.46785s) stopped
T000 >> 1486986756.86886263 Calculate projections (1.33228s) started
T000 << 1486986756.94549680 Calculate projections (1.40892s) stopped
T000 << 1486986756.94553733 LCAO eigensolver (1855.86874s) stopped
T000 >> 1486986756.95799994 Density (335.68011s) started
T000 >> 1486986756.95801640 Pseudo density (215.39660s) started
T000 >> 1486986756.96437955 Calculate density matrix (207.18240s) started
T000 << 1486986769.22280717 Calculate density matrix (219.44083s) stopped
T000 >> 1486986769.22360206 Construct density (0.18549s) started
T000 << 1486986769.23512483 Construct density (0.19702s) stopped
T000 >> 1486986769.73058558 Symmetrize density (0.00138s) started
T000 << 1486986769.73070884 Symmetrize density (0.00150s) stopped
T000 << 1486986769.73975778 Pseudo density (228.17834s) stopped
T000 >> 1486986769.73979545 Atomic density matrices (104.70670s) started
T000 << 1486986775.92234492 Atomic density matrices (110.88925s) stopped
T000 >> 1486986775.92239261 Multipole moments (1.38329s) started
T000 << 1486986775.98044062 Multipole moments (1.44134s) stopped
T000 >> 1486986775.98046827 Normalize (0.51543s) started
T000 << 1486986776.00845480 Normalize (0.54342s) stopped
T000 >> 1486986776.00849557 Mix (13.67697s) started
T000 << 1486986776.93171167 Mix (14.60019s) stopped
T000 << 1486986776.93173480 Density (355.65385s) stopped
T000 >> 1486986776.93178344 Hamiltonian (218.06347s) started
T000 >> 1486986776.93179965 vbar (0.16132s) started
T000 << 1486986776.94195795 vbar (0.17148s) stopped
T000 >> 1486986776.94203496 XC 3D grid (136.66193s) started
T000 >> 1486986776.94230151 van der Waals (135.88119s) started
T000 >> 1486986776.94231319 semilocal (12.80994s) started
T000 << 1486986777.69019151 semilocal (13.55782s) stopped
T000 << 1486986784.89967203 van der Waals (143.83856s) stopped
T000 << 1486986784.95495510 XC 3D grid (144.67485s) stopped
T000 >> 1486986784.95497942 Poisson (61.68031s) started
T000 << 1486986786.97508264 Poisson (63.70041s) stopped
T000 >> 1486986786.97512197 Hartree integrate/restrict (8.83872s) started
T000 << 1486986786.98753643 Hartree integrate/restrict (8.85114s) stopped
T000 >> 1486986786.98766637 Hartree integrate/restrict (8.85119s) started
T000 << 1486986787.48911905 Hartree integrate/restrict (9.35264s) stopped
T000 >> 1486986787.48917103 Calculate atomic Hamiltonians (1.09665s) started
T000 << 1486986787.57841372 Calculate atomic Hamiltonians (1.18589s) stopped
T000 >> 1486986787.57844234 Atomic (7.63096s) started
T000 >> 1486986787.59937501 XC Correction (5.73252s) started
T000 << 1486986787.93733168 XC Correction (6.07048s) stopped
T000 << 1486986788.00733328 Atomic (8.05985s) stopped
T000 >> 1486986788.00753188 Communicate (1.98817s) started
T000 << 1486986788.12040710 Communicate (2.10105s) stopped
T000 << 1486986788.12043428 Hamiltonian (229.25212s) stopped
T000 >> 1486986788.12060499 LCAO eigensolver (1855.86874s) started
T000 >> 1486986788.12061691 Potential matrix (0.19335s) started
T000 << 1486986788.13137650 Potential matrix (0.20411s) stopped
T000 >> 1486986788.13145638 ScipyAtomicCorrection (3.17589s) started
T000 << 1486986788.30873632 ScipyAtomicCorrection (3.35317s) stopped
T000 >> 1486986788.30876565 Distribute overlap matrix (175.55489s) started
T000 >> 1486986788.30878162 blocked summation (70.60754s) started
T000 << 1486986792.19816327 blocked summation (74.49692s) stopped
T000 >> 1486986792.20402050 Scalapack redistribute (104.85211s) started
T000 << 1486986798.07596183 Scalapack redistribute (110.72405s) stopped
T000 << 1486986798.07599235 Distribute overlap matrix (185.32212s) stopped
T000 >> 1486986798.07992935 Blacs Orbital Layouts (1675.46786s) started
T000 >> 1486986798.08251047 General diagonalize (1673.01579s) started
T000 << 1486986890.25762010 General diagonalize (1765.19090s) stopped
T000 >> 1486986890.25771165 Redistribute coefs (1.18951s) started
T000 << 1486986890.32302713 Redistribute coefs (1.25482s) stopped
T000 >> 1486986890.32306838 Send coefs to domains (1.21228s) started
T000 << 1486986890.39894080 Send coefs to domains (1.28815s) stopped
T000 << 1486986890.39899015 Blacs Orbital Layouts (1767.78692s) stopped
T000 >> 1486986890.39900732 Calculate projections (1.40894s) started
T000 << 1486986890.46994591 Calculate projections (1.47988s) stopped
T000 << 1486986890.46998596 LCAO eigensolver (1958.21812s) stopped
T000 >> 1486986890.48167372 Density (355.65386s) started
T000 >> 1486986890.48168921 Pseudo density (228.17837s) started
T000 >> 1486986890.48765469 Calculate density matrix (219.44155s) started
T000 << 1486986903.13849258 Calculate density matrix (232.09239s) stopped
T000 >> 1486986903.13855720 Construct density (0.19704s) started
T000 << 1486986903.14936018 Construct density (0.20785s) stopped
T000 >> 1486986903.64995050 Symmetrize density (0.00152s) started
T000 << 1486986903.65001512 Symmetrize density (0.00158s) stopped
T000 << 1486986903.65799069 Pseudo density (241.35467s) stopped
T000 >> 1486986903.65802145 Atomic density matrices (110.88928s) started
T000 << 1486986909.84881878 Atomic density matrices (117.08007s) stopped
T000 >> 1486986909.84884667 Multipole moments (1.44135s) started
T000 << 1486986909.90501142 Multipole moments (1.49752s) stopped
T000 >> 1486986909.90503883 Normalize (0.54345s) started
T000 << 1486986909.93593836 Normalize (0.57435s) stopped
T000 >> 1486986909.93599892 Mix (14.60021s) started
T000 << 1486986910.79022145 Mix (15.45443s) stopped
T000 << 1486986910.79025006 Density (375.96243s) stopped
T000 >> 1486986910.79026723 Hamiltonian (229.25213s) started
T000 >> 1486986910.79027915 vbar (0.17153s) started
T000 << 1486986910.79975343 vbar (0.18101s) stopped
T000 >> 1486986910.79981422 XC 3D grid (144.67487s) started
T000 >> 1486986910.80004191 van der Waals (143.83862s) started
T000 >> 1486986910.80005360 semilocal (13.55786s) started
T000 << 1486986911.54072642 semilocal (14.29853s) stopped
T000 << 1486986918.81544542 van der Waals (151.85402s) stopped
T000 << 1486986918.85601354 XC 3D grid (152.73107s) stopped
T000 >> 1486986918.85604095 Poisson (63.70044s) started
T000 << 1486986920.78852272 Poisson (65.63292s) stopped
T000 >> 1486986920.78856468 Hartree integrate/restrict (9.35268s) started
T000 << 1486986920.80129361 Hartree integrate/restrict (9.36541s) stopped
T000 >> 1486986920.80140328 Hartree integrate/restrict (9.36546s) started
T000 << 1486986921.31172252 Hartree integrate/restrict (9.87578s) stopped
T000 >> 1486986921.31176734 Calculate atomic Hamiltonians (1.18591s) started
T000 << 1486986921.36211109 Calculate atomic Hamiltonians (1.23626s) stopped
T000 >> 1486986921.36214423 Atomic (8.05989s) started
T000 >> 1486986921.38479900 XC Correction (6.07051s) started
T000 << 1486986921.72139120 XC Correction (6.40711s) stopped
T000 << 1486986921.79952955 Atomic (8.49727s) stopped
T000 >> 1486986921.79969358 Communicate (2.10106s) started
T000 << 1486986921.94522572 Communicate (2.24660s) stopped
T000 << 1486986921.94524980 Hamiltonian (240.40711s) stopped
T000 >> 1486986921.94541264 LCAO eigensolver (1958.21813s) started
T000 >> 1486986921.94542122 Potential matrix (0.20414s) started
T000 << 1486986921.95612621 Potential matrix (0.21485s) stopped
T000 >> 1486986921.95618200 ScipyAtomicCorrection (3.35319s) started
T000 << 1486986922.12832284 ScipyAtomicCorrection (3.52533s) stopped
T000 >> 1486986922.12836862 Distribute overlap matrix (185.32213s) started
T000 >> 1486986922.12838817 blocked summation (74.49741s) started
T000 << 1486986926.24311471 blocked summation (78.61213s) stopped
T000 >> 1486986926.24814820 Scalapack redistribute (110.72408s) started
T000 << 1486986931.76648331 Scalapack redistribute (116.24241s) stopped
T000 << 1486986931.76651573 Distribute overlap matrix (194.96027s) stopped
T000 >> 1486986931.77005577 Blacs Orbital Layouts (1767.78693s) started
T000 >> 1486986931.77247167 General diagonalize (1765.19098s) started
T000 << 1486987023.54703832 General diagonalize (1856.96555s) stopped
T000 >> 1486987023.54711962 Redistribute coefs (1.25485s) started
T000 << 1486987023.60894275 Redistribute coefs (1.31668s) stopped
T000 >> 1486987023.60898471 Send coefs to domains (1.28818s) started
T000 << 1486987023.67608833 Send coefs to domains (1.35529s) stopped
T000 << 1486987023.67614150 Blacs Orbital Layouts (1859.69302s) stopped
T000 >> 1486987023.67615962 Calculate projections (1.47991s) started
T000 << 1486987023.75437450 Calculate projections (1.55813s) stopped
T000 << 1486987023.75441670 LCAO eigensolver (2060.02714s) stopped
T000 >> 1486987023.75839734 Density (375.96244s) started
T000 >> 1486987023.75841260 Pseudo density (241.35469s) started
T000 >> 1486987023.76392889 Calculate density matrix (232.09243s) started
T000 << 1486987035.62778091 Calculate density matrix (243.95628s) stopped
T000 >> 1486987035.62784433 Construct density (0.20786s) started
T000 << 1486987035.63866758 Construct density (0.21868s) stopped
T000 >> 1486987036.13574696 Symmetrize density (0.00160s) started
T000 << 1486987036.13581347 Symmetrize density (0.00166s) stopped
T000 << 1486987036.14373374 Pseudo density (253.74001s) stopped
T000 >> 1486987036.14376521 Atomic density matrices (117.08010s) started
T000 << 1486987042.33114362 Atomic density matrices (123.26747s) stopped
T000 >> 1486987042.33117080 Multipole moments (1.49754s) started
T000 << 1486987042.43069363 Multipole moments (1.59706s) stopped
T000 >> 1486987042.43072748 Normalize (0.57439s) started
T000 << 1486987042.45348430 Normalize (0.59715s) stopped
T000 >> 1486987042.45352316 Mix (15.45446s) started
T000 << 1486987043.28739715 Mix (16.28834s) stopped
T000 << 1486987043.28747320 Density (395.49152s) stopped
T000 >> 1486987043.28750205 Hamiltonian (240.40712s) started
T000 >> 1486987043.28752208 vbar (0.18105s) started
T000 << 1486987043.29606032 vbar (0.18959s) stopped
T000 >> 1486987043.29610181 XC 3D grid (152.73109s) started
T000 >> 1486987043.29624295 van der Waals (151.85408s) started
T000 >> 1486987043.29625106 semilocal (14.29856s) started
T000 << 1486987044.02838778 semilocal (15.03070s) stopped
T000 << 1486987051.21497560 van der Waals (159.77281s) stopped
T000 << 1486987051.28612685 XC 3D grid (160.72111s) stopped
T000 >> 1486987051.28615403 Poisson (65.63295s) started
T000 << 1486987053.23503256 Poisson (67.58183s) stopped
T000 >> 1486987053.23506784 Hartree integrate/restrict (9.87581s) started
T000 << 1486987053.24848008 Hartree integrate/restrict (9.88923s) stopped
T000 >> 1486987053.24862218 Hartree integrate/restrict (9.88930s) started
T000 << 1486987053.74926543 Hartree integrate/restrict (10.38994s) stopped
T000 >> 1486987053.74932003 Calculate atomic Hamiltonians (1.23628s) started
T000 << 1486987053.81459379 Calculate atomic Hamiltonians (1.30155s) stopped
T000 >> 1486987053.81462097 Atomic (8.49729s) started
T000 >> 1486987053.85344052 XC Correction (6.40713s) started
T000 << 1486987054.19104004 XC Correction (6.74473s) stopped
T000 << 1486987054.25830483 Atomic (8.94097s) stopped
T000 >> 1486987054.25845909 Communicate (2.24661s) started
T000 << 1486987054.36910272 Communicate (2.35725s) stopped
T000 << 1486987054.36912370 Hamiltonian (251.48874s) stopped
T000 >> 1486987054.36930728 LCAO eigensolver (2060.02715s) started
T000 >> 1486987054.36931586 Potential matrix (0.21488s) started
T000 << 1486987054.38001394 Potential matrix (0.22557s) stopped
T000 >> 1486987054.38006687 ScipyAtomicCorrection (3.52537s) started
T000 << 1486987054.54814529 ScipyAtomicCorrection (3.69345s) stopped
T000 >> 1486987054.54819012 Distribute overlap matrix (194.96028s) started
T000 >> 1486987054.54820800 blocked summation (78.61219s) started
T000 << 1486987058.45333791 blocked summation (82.51732s) stopped
T000 >> 1486987058.45726371 Scalapack redistribute (116.24243s) started
T000 << 1486987064.31887078 Scalapack redistribute (122.10404s) stopped
T000 << 1486987064.31890082 Distribute overlap matrix (204.73099s) stopped
T000 >> 1486987064.32249904 Blacs Orbital Layouts (1859.69303s) started
T000 >> 1486987064.32481217 General diagonalize (1856.96561s) started
T000 << 1486987156.70275950 General diagonalize (1949.34356s) stopped
T000 >> 1486987156.70284677 Redistribute coefs (1.31671s) started
T000 << 1486987156.76629877 Redistribute coefs (1.38016s) stopped
T000 >> 1486987156.76634932 Send coefs to domains (1.35532s) started
T000 << 1486987156.82955790 Send coefs to domains (1.41853s) stopped
T000 << 1486987156.82960606 Blacs Orbital Layouts (1952.20014s) stopped
T000 >> 1486987156.82962537 Calculate projections (1.55816s) started
T000 << 1486987156.91483212 Calculate projections (1.64336s) stopped
T000 << 1486987156.91487074 LCAO eigensolver (2162.57271s) stopped
T000 >> 1486987156.93350720 Density (395.49153s) started
T000 >> 1486987156.93352270 Pseudo density (253.74003s) started
T000 >> 1486987156.93906474 Calculate density matrix (243.95632s) started
T000 << 1486987169.34245229 Calculate density matrix (256.35971s) stopped
T000 >> 1486987169.34254956 Construct density (0.21869s) started
T000 << 1486987169.35338402 Construct density (0.22953s) stopped
T000 >> 1486987169.84042025 Symmetrize density (0.00167s) started
T000 << 1486987169.84049129 Symmetrize density (0.00175s) stopped
T000 << 1486987169.84840584 Pseudo density (266.65492s) stopped
T000 >> 1486987169.84844089 Atomic density matrices (123.26749s) started
T000 << 1486987176.09054399 Atomic density matrices (129.50960s) stopped
T000 >> 1486987176.09057260 Multipole moments (1.59709s) started
T000 << 1486987176.19396734 Multipole moments (1.70048s) stopped
T000 >> 1486987176.19400382 Normalize (0.59718s) started
T000 << 1486987176.22188139 Normalize (0.62506s) stopped
T000 >> 1486987176.22197056 Mix (16.28841s) started
T000 << 1486987177.12170577 Mix (17.18815s) stopped
T000 << 1486987177.12174082 Density (415.67976s) stopped
T000 >> 1486987177.12176323 Hamiltonian (251.48874s) started
T000 >> 1486987177.12177253 vbar (0.18962s) started
T000 << 1486987177.13183808 vbar (0.19969s) stopped
T000 >> 1486987177.13190627 XC 3D grid (160.72114s) started
T000 >> 1486987177.13211346 van der Waals (159.77289s) started
T000 >> 1486987177.13212514 semilocal (15.03073s) started
T000 << 1486987177.85638595 semilocal (15.75499s) stopped
T000 << 1486987185.37160802 van der Waals (168.01239s) stopped
T000 << 1486987185.40631366 XC 3D grid (168.99554s) stopped
T000 >> 1486987185.40634274 Poisson (67.58186s) started
T000 << 1486987187.41114426 Poisson (69.58666s) stopped
T000 >> 1486987187.41118312 Hartree integrate/restrict (10.38998s) started
T000 << 1486987187.42411804 Hartree integrate/restrict (10.40292s) stopped
T000 >> 1486987187.42423987 Hartree integrate/restrict (10.40298s) started
T000 << 1486987187.93120837 Hartree integrate/restrict (10.90995s) stopped
T000 >> 1486987187.93125558 Calculate atomic Hamiltonians (1.30157s) started
T000 << 1486987188.02513361 Calculate atomic Hamiltonians (1.39545s) stopped
T000 >> 1486987188.02515912 Atomic (8.94098s) started
T000 >> 1486987188.04505992 XC Correction (6.74475s) started
T000 << 1486987188.38416028 XC Correction (7.08385s) stopped
T000 << 1486987188.47501230 Atomic (9.39084s) stopped
T000 >> 1486987188.47516537 Communicate (2.35727s) started
T000 << 1486987188.56428027 Communicate (2.44638s) stopped
T000 << 1486987188.56429791 Hamiltonian (262.93128s) stopped
T000 >> 1486987188.56446433 LCAO eigensolver (2162.57272s) started
T000 >> 1486987188.56447291 Potential matrix (0.22560s) started
T000 << 1486987188.57517099 Potential matrix (0.23630s) stopped
T000 >> 1486987188.57521129 ScipyAtomicCorrection (3.69349s) started
T000 << 1486987188.74782872 ScipyAtomicCorrection (3.86610s) stopped
T000 >> 1486987188.74786043 Distribute overlap matrix (204.73100s) started
T000 >> 1486987188.74794817 blocked summation (82.51735s) started
T000 << 1486987192.83594418 blocked summation (86.60534s) stopped
T000 >> 1486987192.84162331 Scalapack redistribute (122.10406s) started
T000 << 1486987198.53937840 Scalapack redistribute (127.80182s) stopped
T000 << 1486987198.53942108 Distribute overlap matrix (214.52256s) stopped
T000 >> 1486987198.54269052 Blacs Orbital Layouts (1952.20015s) started
T000 >> 1486987198.54677200 General diagonalize (1949.34363s) started
T000 << 1486987291.32421756 General diagonalize (2042.12108s) stopped
T000 >> 1486987291.32430243 Redistribute coefs (1.38021s) started
T000 << 1486987291.39093184 Redistribute coefs (1.44683s) stopped
T000 >> 1486987291.39098215 Send coefs to domains (1.41856s) started
T000 << 1486987291.46715379 Send coefs to domains (1.49473s) stopped
T000 << 1486987291.46721745 Blacs Orbital Layouts (2045.12468s) stopped
T000 >> 1486987291.46723533 Calculate projections (1.64339s) started
T000 << 1486987291.54871821 Calculate projections (1.72487s) stopped
T000 << 1486987291.54876041 LCAO eigensolver (2265.55701s) stopped
T000 >> 1486987291.56145740 Density (415.67977s) started
T000 >> 1486987291.56147456 Pseudo density (266.65494s) started
T000 >> 1486987291.56712747 Calculate density matrix (256.35978s) started
T000 << 1486987304.06061983 Calculate density matrix (268.85327s) stopped
T000 >> 1486987304.06069565 Construct density (0.22954s) started
T000 << 1486987304.07151008 Construct density (0.24036s) stopped
T000 >> 1486987304.56754780 Symmetrize density (0.00176s) started
T000 << 1486987304.56761837 Symmetrize density (0.00183s) stopped
T000 << 1486987304.57542038 Pseudo density (279.66888s) stopped
T000 >> 1486987304.57545781 Atomic density matrices (129.50962s) started
T000 << 1486987310.80999112 Atomic density matrices (135.74415s) stopped
T000 >> 1486987310.81003642 Multipole moments (1.70051s) started
T000 << 1486987310.85025620 Multipole moments (1.74073s) stopped
T000 >> 1486987310.85028052 Normalize (0.62513s) started
T000 << 1486987310.87993050 Normalize (0.65478s) stopped
T000 >> 1486987310.87998247 Mix (17.18818s) started
T000 << 1486987311.84654117 Mix (18.15474s) stopped
T000 << 1486987311.84657121 Density (435.96489s) stopped
T000 >> 1486987311.84659147 Hamiltonian (262.93129s) started
T000 >> 1486987311.84660697 vbar (0.19974s) started
T000 << 1486987311.85574222 vbar (0.20887s) stopped
T000 >> 1486987311.85578632 XC 3D grid (168.99557s) started
T000 >> 1486987311.85596299 van der Waals (168.01248s) started
T000 >> 1486987311.85597396 semilocal (15.75503s) started
T000 << 1486987312.60913348 semilocal (16.50819s) stopped
T000 << 1486987319.81362128 van der Waals (175.97014s) stopped
T000 << 1486987319.85991335 XC 3D grid (176.99969s) stopped
T000 >> 1486987319.85994291 Poisson (69.58669s) started
T000 << 1486987321.80982971 Poisson (71.53658s) stopped
T000 >> 1486987321.80987072 Hartree integrate/restrict (10.90998s) started
T000 << 1486987321.82438183 Hartree integrate/restrict (10.92449s) stopped
T000 >> 1486987321.82444859 Hartree integrate/restrict (10.92453s) started
T000 << 1486987322.33684969 Hartree integrate/restrict (11.43693s) stopped
T000 >> 1486987322.33688116 Calculate atomic Hamiltonians (1.39547s) started
T000 << 1486987322.42237639 Calculate atomic Hamiltonians (1.48096s) stopped
T000 >> 1486987322.42241812 Atomic (9.39085s) started
T000 >> 1486987322.44321990 XC Correction (7.08387s) started
T000 << 1486987322.80632830 XC Correction (7.44698s) stopped
T000 << 1486987322.90370440 Atomic (9.87214s) stopped
T000 >> 1486987322.90386796 Communicate (2.44639s) started
T000 << 1486987323.01537776 Communicate (2.55790s) stopped
T000 << 1486987323.01540828 Hamiltonian (274.10010s) stopped
T000 >> 1486987323.01557326 LCAO eigensolver (2265.55702s) started
T000 >> 1486987323.01558781 Potential matrix (0.23632s) started
T000 << 1486987323.02629757 Potential matrix (0.24703s) stopped
T000 >> 1486987323.02636313 ScipyAtomicCorrection (3.86613s) started
T000 << 1486987323.19689274 ScipyAtomicCorrection (4.03666s) stopped
T000 >> 1486987323.19692755 Distribute overlap matrix (214.52257s) started
T000 >> 1486987323.19694424 blocked summation (86.60538s) started
T000 << 1486987327.30516911 blocked summation (90.71360s) stopped
T000 >> 1486987327.31078124 Scalapack redistribute (127.80185s) started
T000 << 1486987332.82540131 Scalapack redistribute (133.31647s) stopped
T000 << 1486987332.82545495 Distribute overlap matrix (224.15109s) stopped
T000 >> 1486987332.82910275 Blacs Orbital Layouts (2045.12469s) started
T000 >> 1486987332.83163452 General diagonalize (2042.12115s) started
T000 << 1486987424.84364223 General diagonalize (2134.13315s) stopped
T000 >> 1486987424.84373426 Redistribute coefs (1.44688s) started
T000 << 1486987424.90732479 Redistribute coefs (1.51047s) stopped
T000 >> 1486987424.90737748 Send coefs to domains (1.49478s) started
T000 << 1486987424.97751594 Send coefs to domains (1.56492s) stopped
T000 << 1486987424.97757149 Blacs Orbital Layouts (2137.27316s) stopped
T000 >> 1486987424.97759175 Calculate projections (1.72490s) started
T000 << 1486987425.05675077 Calculate projections (1.80406s) stopped
T000 << 1486987425.05679131 LCAO eigensolver (2367.59824s) stopped
T000 >> 1486987425.05903292 Density (435.96489s) started
T000 >> 1486987425.05904698 Pseudo density (279.66891s) started
T000 >> 1486987425.06603456 Calculate density matrix (268.85333s) started
T000 << 1486987437.44247127 Calculate density matrix (281.22977s) stopped
T000 >> 1486987437.44312477 Construct density (0.24037s) started
T000 << 1486987437.45578408 Construct density (0.25303s) stopped
T000 >> 1486987437.94834590 Symmetrize density (0.00184s) started
T000 << 1486987437.94841838 Symmetrize density (0.00191s) stopped
T000 << 1486987437.95855212 Pseudo density (292.56841s) stopped
T000 >> 1486987437.95859408 Atomic density matrices (135.74418s) started
T000 << 1486987444.19081879 Atomic density matrices (141.97641s) stopped
T000 >> 1486987444.19084549 Multipole moments (1.74075s) started
T000 << 1486987444.26407194 Multipole moments (1.81397s) stopped
T000 >> 1486987444.26409698 Normalize (0.65482s) started
T000 << 1486987444.29585052 Normalize (0.68657s) stopped
T000 >> 1486987444.29591393 Mix (18.15477s) started
T000 << 1486987445.19783115 Mix (19.05669s) stopped
T000 << 1486987445.19786763 Density (456.10373s) stopped
T000 >> 1486987445.19788814 Hamiltonian (274.10011s) started
T000 >> 1486987445.19790387 vbar (0.20890s) started
T000 << 1486987445.20974994 vbar (0.22075s) stopped
T000 >> 1486987445.20979977 XC 3D grid (176.99972s) started
T000 >> 1486987445.21322417 van der Waals (175.97064s) started
T000 >> 1486987445.21327305 semilocal (16.50823s) started
T000 << 1486987445.95330739 semilocal (17.24826s) stopped
T000 << 1486987453.22771454 van der Waals (183.98513s) stopped
T000 << 1486987453.27225041 XC 3D grid (185.06217s) stopped
T000 >> 1486987453.27228570 Poisson (71.53661s) started
T000 << 1486987454.53233790 Poisson (72.79666s) stopped
T000 >> 1486987454.53238106 Hartree integrate/restrict (11.43696s) started
T000 << 1486987454.54758739 Hartree integrate/restrict (11.45216s) stopped
T000 >> 1486987454.54769635 Hartree integrate/restrict (11.45221s) started
T000 << 1486987455.05287385 Hartree integrate/restrict (11.95739s) stopped
T000 >> 1486987455.05291009 Calculate atomic Hamiltonians (1.48099s) started
T000 << 1486987455.12192369 Calculate atomic Hamiltonians (1.55001s) stopped
T000 >> 1486987455.12196708 Atomic (9.87216s) started
T000 >> 1486987455.16795397 XC Correction (7.44700s) started
T000 << 1486987455.50537300 XC Correction (7.78442s) stopped
T000 << 1486987455.57237530 Atomic (10.32256s) stopped
T000 >> 1486987455.57253933 Communicate (2.55792s) started
T000 << 1486987455.74578238 Communicate (2.73116s) stopped
T000 << 1486987455.74581170 Hamiltonian (284.64803s) stopped
T000 >> 1486987455.74601340 LCAO eigensolver (2367.59825s) started
T000 >> 1486987455.74602318 Potential matrix (0.24706s) started
T000 << 1486987455.75681043 Potential matrix (0.25784s) stopped
T000 >> 1486987455.75685978 ScipyAtomicCorrection (4.03669s) started
T000 << 1486987455.97735834 ScipyAtomicCorrection (4.25719s) stopped