T00 >> 1485529107.60858750 Set symmetry (0.00000s) started
T00 << 1485529107.71193457 Set symmetry (0.10335s) stopped
T00 >> 1485529107.80644369 TCI: Evaluate splines (0.00000s) started
T00 << 1485529109.80178666 TCI: Evaluate splines (1.99535s) stopped
T00 >> 1485529109.94780445 Basic WFS set positions (0.00000s) started
T00 << 1485529110.13166261 Basic WFS set positions (0.18386s) stopped
T00 >> 1485529110.13168216 Basis functions set positions (0.00000s) started
T00 << 1485529113.48920608 Basis functions set positions (3.35752s) stopped
T00 >> 1485529113.49014187 TCI: Calculate S, T, P (0.00000s) started
T00 << 1485529133.88595629 TCI: Calculate S, T, P (20.39582s) stopped
T00 >> 1485529133.88645792 blocked summation (0.00000s) started
T00 << 1485529179.05064487 blocked summation (45.16419s) stopped
T00 >> 1485529179.05081129 Scalapack redistribute (0.00000s) started
T00 << 1485529181.29803228 Scalapack redistribute (2.24722s) stopped
T00 >> 1485529181.30005956 blocked summation (45.16426s) started
T00 << 1485529182.53103423 blocked summation (46.39524s) stopped
T00 >> 1485529182.53110409 Scalapack redistribute (2.24727s) started
T00 << 1485529183.00835061 Scalapack redistribute (2.72452s) stopped
T00 >> 1485529185.36802769 LCAO WFS Initialize (0.00000s) started
T00 >> 1485529188.10071230 Hamiltonian (0.00000s) started
T00 >> 1485529188.10074806 Initialize Hamiltonian (0.00000s) started
T00 << 1485529188.10348558 Initialize Hamiltonian (0.00274s) stopped
T00 >> 1485529188.10351276 vbar (0.00000s) started
T00 << 1485529188.19272828 vbar (0.08922s) stopped
T00 >> 1485529188.19277763 XC 3D grid (0.00000s) started
T00 >> 1485529189.24290037 van der Waals (0.00000s) started
T00 >> 1485529189.44770670 semilocal (0.00000s) started
T00 << 1485529193.57957435 semilocal (4.13187s) stopped
T00 << 1485529225.72133732 van der Waals (36.47844s) stopped
T00 << 1485529226.64110708 XC 3D grid (38.44833s) stopped
T00 >> 1485529226.64114404 Poisson (0.00000s) started
T00 << 1485529277.56955528 Poisson (50.92841s) stopped
T00 >> 1485529277.56966686 Hartree integrate/restrict (0.00000s) started
T00 << 1485529277.66649556 Hartree integrate/restrict (0.09683s) stopped
T00 >> 1485529277.66656423 Hartree integrate/restrict (0.09686s) started
T00 << 1485529278.41114044 Hartree integrate/restrict (0.84144s) stopped
T00 >> 1485529278.41117358 Calculate atomic Hamiltonians (0.00000s) started
T00 << 1485529278.66794729 Calculate atomic Hamiltonians (0.25678s) stopped
T00 >> 1485529278.66798496 Atomic (0.00000s) started
T00 >> 1485529278.68468356 XC Correction (0.00000s) started
T00 << 1485529285.60357165 XC Correction (6.91889s) stopped
T00 << 1485529285.61214805 Atomic (6.94416s) stopped
T00 >> 1485529285.61230183 Communicate (0.00000s) started
T00 << 1485529285.62910128 Communicate (0.01680s) stopped
T00 << 1485529285.62911892 Hamiltonian (97.52841s) stopped
T00 << 1485529285.62919807 LCAO WFS Initialize (100.26117s) stopped
T00 >> 1485529285.66313672 SCF-cycle (0.00000s) started
T00 >> 1485529285.66316938 LCAO eigensolver (0.00000s) started
T00 >> 1485529285.66318250 Potential matrix (0.00000s) started
T00 << 1485529286.04914141 Potential matrix (0.38596s) stopped
T00 >> 1485529286.04921031 ScipyAtomicCorrection (0.00000s) started
T00 << 1485529286.30494785 ScipyAtomicCorrection (0.25574s) stopped
T00 >> 1485529286.30499649 Distribute overlap matrix (0.00000s) started
T00 >> 1485529286.30501676 blocked summation (0.00000s) started
T00 << 1485529325.29171395 blocked summation (38.98670s) stopped
T00 >> 1485529325.29182768 Scalapack redistribute (0.00000s) started
T00 << 1485529325.80431151 Scalapack redistribute (0.51249s) stopped
T00 << 1485529325.80436516 Distribute overlap matrix (39.49937s) stopped
T00 >> 1485529325.82334495 Blacs Orbital Layouts (0.00000s) started
T00 >> 1485529325.82339931 General diagonalize (0.00000s) started
T00 << 1485529482.02973270 General diagonalize (156.20633s) stopped
T00 >> 1485529482.02981925 Redistribute coefs (0.00000s) started
T00 << 1485529482.13971591 Redistribute coefs (0.10990s) stopped
T00 >> 1485529482.13975334 Send coefs to domains (0.00000s) started
T00 << 1485529482.27949047 Send coefs to domains (0.13974s) stopped
T00 << 1485529482.27994823 Blacs Orbital Layouts (156.45660s) stopped
T00 >> 1485529482.27997756 Calculate projections (0.00000s) started
T00 << 1485529482.45231533 Calculate projections (0.17234s) stopped
T00 << 1485529482.45270920 LCAO eigensolver (196.78954s) stopped
T00 >> 1485529482.46825480 Density (0.00000s) started
T00 >> 1485529482.46826935 Pseudo density (0.00000s) started
T00 >> 1485529482.47488189 Calculate density matrix (0.00000s) started
T00 << 1485529504.31801248 Calculate density matrix (21.84313s) stopped
T00 >> 1485529504.31813431 Construct density (0.00000s) started
T00 << 1485529504.78209710 Construct density (0.46396s) stopped
T00 >> 1485529505.63958168 Symmetrize density (0.00001s) started
T00 << 1485529505.63966250 Symmetrize density (0.00009s) stopped
T00 << 1485529505.64967489 Pseudo density (23.18141s) stopped
T00 >> 1485529505.64970756 Atomic density matrices (0.00000s) started
T00 << 1485529539.93357611 Atomic density matrices (34.28387s) stopped
T00 >> 1485529539.93362212 Multipole moments (0.00000s) started
T00 << 1485529539.95538235 Multipole moments (0.02176s) stopped
T00 >> 1485529539.95540380 Normalize (0.00000s) started
T00 << 1485529539.98241210 Normalize (0.02701s) stopped
T00 >> 1485529539.98245788 Mix (0.00000s) started
T00 << 1485529540.84099317 Mix (0.85854s) stopped
T00 << 1485529540.84102631 Density (58.37277s) stopped
T00 >> 1485529540.84105158 Hamiltonian (0.00000s) started
T00 >> 1485529540.84106374 vbar (0.00000s) started
T00 << 1485529540.90436554 vbar (0.06330s) stopped
T00 >> 1485529540.90443707 XC 3D grid (0.00001s) started
T00 >> 1485529542.01366043 van der Waals (0.00000s) started
T00 >> 1485529542.21310210 semilocal (0.00000s) started
T00 << 1485529546.35755014 semilocal (4.14445s) stopped
T00 << 1485529578.16452670 van der Waals (36.15087s) stopped
T00 << 1485529579.05192327 XC 3D grid (38.14750s) stopped
T00 >> 1485529579.05195999 Poisson (0.00000s) started
T00 << 1485529604.51140881 Poisson (25.45945s) stopped
T00 >> 1485529604.51144385 Hartree integrate/restrict (0.00000s) started
T00 << 1485529604.60822964 Hartree integrate/restrict (0.09679s) stopped
T00 >> 1485529604.60830045 Hartree integrate/restrict (0.09682s) started
T00 << 1485529605.32622480 Hartree integrate/restrict (0.81474s) stopped
T00 >> 1485529605.32626390 Calculate atomic Hamiltonians (0.00000s) started
T00 << 1485529605.58537412 Calculate atomic Hamiltonians (0.25911s) stopped
T00 >> 1485529605.58541393 Atomic (0.00000s) started
T00 >> 1485529605.60169339 XC Correction (0.00000s) started
T00 << 1485529612.54866052 XC Correction (6.94697s) stopped
T00 << 1485529612.55777478 Atomic (6.97236s) stopped
T00 >> 1485529612.55790758 Communicate (0.00000s) started
T00 << 1485529612.57496047 Communicate (0.01705s) stopped
T00 << 1485529612.57497573 Hamiltonian (71.73393s) stopped
T00 >> 1485529612.57505226 LCAO eigensolver (196.78955s) started
T00 >> 1485529612.57506752 Potential matrix (0.38599s) started
T00 << 1485529612.96047425 Potential matrix (0.77140s) stopped
T00 >> 1485529612.96054959 ScipyAtomicCorrection (0.25578s) started
T00 << 1485529613.19377041 ScipyAtomicCorrection (0.48900s) stopped
T00 >> 1485529613.19381475 Distribute overlap matrix (39.49938s) started
T00 >> 1485529613.19384193 blocked summation (38.98675s) started
T00 << 1485529652.17572021 blocked summation (77.96863s) stopped
T00 >> 1485529652.17587090 Scalapack redistribute (0.51252s) started
T00 << 1485529652.68211842 Scalapack redistribute (1.01877s) stopped
T00 << 1485529652.68217897 Distribute overlap matrix (78.98774s) stopped
T00 >> 1485529652.70065141 Blacs Orbital Layouts (156.45663s) started
T00 >> 1485529652.70072365 General diagonalize (156.20640s) started
T00 << 1485529809.04767108 General diagonalize (312.55335s) stopped
T00 >> 1485529809.04775977 Redistribute coefs (0.10993s) started
T00 << 1485529809.13659620 Redistribute coefs (0.19877s) stopped
T00 >> 1485529809.13662624 Send coefs to domains (0.13977s) started
T00 << 1485529809.20601964 Send coefs to domains (0.20916s) stopped
T00 << 1485529809.20673132 Blacs Orbital Layouts (312.96271s) stopped
T00 >> 1485529809.20675635 Calculate projections (0.17237s) started
T00 << 1485529809.38957024 Calculate projections (0.35519s) stopped
T00 << 1485529809.38996530 LCAO eigensolver (393.60447s) stopped
T00 >> 1485529809.39772511 Density (58.37278s) started
T00 >> 1485529809.39773893 Pseudo density (23.18143s) started
T00 >> 1485529809.40415549 Calculate density matrix (21.84320s) started
T00 << 1485529831.25323200 Calculate density matrix (43.69228s) stopped
T00 >> 1485529831.25333190 Construct density (0.46401s) started
T00 << 1485529831.71639085 Construct density (0.92707s) stopped
T00 >> 1485529832.54376340 Symmetrize density (0.00010s) started
T00 << 1485529832.54381585 Symmetrize density (0.00015s) stopped
T00 << 1485529832.55418396 Pseudo density (46.33787s) stopped
T00 >> 1485529832.55422497 Atomic density matrices (34.28390s) started
T00 << 1485529866.86077046 Atomic density matrices (68.59045s) stopped
T00 >> 1485529866.86081672 Multipole moments (0.02178s) started
T00 << 1485529866.88302827 Multipole moments (0.04399s) stopped
T00 >> 1485529866.88304877 Normalize (0.02704s) started
T00 << 1485529866.90998197 Normalize (0.05398s) stopped
T00 >> 1485529866.91003323 Mix (0.85857s) started
T00 << 1485529867.83498573 Mix (1.78352s) stopped
T00 << 1485529867.83501148 Density (116.81007s) stopped
T00 >> 1485529867.83503985 Hamiltonian (71.73393s) started
T00 >> 1485529867.83505225 vbar (0.06335s) started
T00 << 1485529867.90338063 vbar (0.13167s) stopped
T00 >> 1485529867.90342522 XC 3D grid (38.14752s) started
T00 >> 1485529868.99650526 van der Waals (36.15096s) started
T00 >> 1485529869.20047045 semilocal (4.14447s) started
T00 << 1485529873.33424854 semilocal (8.27825s) stopped
T00 << 1485529905.36818123 van der Waals (72.52264s) stopped
T00 << 1485529906.64103460 XC 3D grid (76.88513s) stopped
T00 >> 1485529906.64107299 Poisson (25.45948s) started
T00 << 1485529932.12228680 Poisson (50.94069s) stopped
T00 >> 1485529932.12232327 Hartree integrate/restrict (0.81476s) started
T00 << 1485529932.21921086 Hartree integrate/restrict (0.91165s) stopped
T00 >> 1485529932.21926570 Hartree integrate/restrict (0.91167s) started
T00 << 1485529932.94565678 Hartree integrate/restrict (1.63806s) stopped
T00 >> 1485529932.94569254 Calculate atomic Hamiltonians (0.25914s) started
T00 << 1485529933.19992685 Calculate atomic Hamiltonians (0.51337s) stopped
T00 >> 1485529933.19996500 Atomic (6.97238s) started
T00 >> 1485529933.21618032 XC Correction (6.94699s) started
T00 << 1485529940.17002106 XC Correction (13.90083s) stopped
T00 << 1485529940.17939973 Atomic (13.95181s) stopped
T00 >> 1485529940.17953587 Communicate (0.01706s) started
T00 << 1485529940.19936371 Communicate (0.03689s) stopped
T00 << 1485529940.19938040 Hamiltonian (144.09827s) stopped
T00 >> 1485529940.19945669 LCAO eigensolver (393.60448s) started
T00 >> 1485529940.19947147 Potential matrix (0.77144s) started
T00 << 1485529940.58420444 Potential matrix (1.15617s) stopped
T00 >> 1485529940.58434296 ScipyAtomicCorrection (0.48904s) started
T00 << 1485529940.84282279 ScipyAtomicCorrection (0.74752s) stopped
T00 >> 1485529940.84286642 Distribute overlap matrix (78.98775s) started
T00 >> 1485529940.84288645 blocked summation (77.96869s) started
T00 << 1485529979.82755303 blocked summation (116.95336s) stopped
T00 >> 1485529979.82770801 Scalapack redistribute (1.01881s) started
T00 << 1485529980.33694482 Scalapack redistribute (1.52805s) stopped
T00 << 1485529980.33700418 Distribute overlap matrix (118.48189s) stopped
T00 >> 1485529980.35546994 Blacs Orbital Layouts (312.96272s) started
T00 >> 1485529980.35553694 General diagonalize (312.55342s) started
T00 << 1485530137.32061815 General diagonalize (469.51850s) stopped
T00 >> 1485530137.32071352 Redistribute coefs (0.19879s) started
T00 << 1485530137.40980792 Redistribute coefs (0.28789s) stopped
T00 >> 1485530137.40984702 Send coefs to domains (0.20918s) started
T00 << 1485530137.47952914 Send coefs to domains (0.27886s) stopped
T00 << 1485530137.48020864 Blacs Orbital Layouts (470.08746s) stopped
T00 >> 1485530137.48023748 Calculate projections (0.35521s) started
T00 << 1485530137.66141725 Calculate projections (0.53639s) stopped
T00 << 1485530137.66181374 LCAO eigensolver (591.06684s) stopped
T00 >> 1485530137.66925073 Density (116.81008s) started
T00 >> 1485530137.66926694 Pseudo density (46.33790s) started
T00 >> 1485530137.67563272 Calculate density matrix (43.69235s) started
T00 << 1485530159.60446048 Calculate density matrix (65.62117s) stopped
T00 >> 1485530159.60457397 Construct density (0.92710s) started
T00 << 1485530160.06761718 Construct density (1.39015s) stopped
T00 >> 1485530160.73090339 Symmetrize density (0.00016s) started
T00 << 1485530160.73098040 Symmetrize density (0.00024s) stopped
T00 << 1485530160.74332166 Pseudo density (69.41195s) stopped
T00 >> 1485530160.74335527 Atomic density matrices (68.59048s) started
T00 << 1485530195.19531393 Atomic density matrices (103.04244s) stopped
T00 >> 1485530195.19535851 Multipole moments (0.04400s) started
T00 << 1485530195.21790957 Multipole moments (0.06655s) stopped
T00 >> 1485530195.21792936 Normalize (0.05402s) started
T00 << 1485530195.24471831 Normalize (0.08080s) stopped
T00 >> 1485530195.24476290 Mix (1.78355s) started
T00 << 1485530196.23302174 Mix (2.77181s) stopped
T00 << 1485530196.23305488 Density (175.37388s) stopped
T00 >> 1485530196.23308158 Hamiltonian (144.09828s) started
T00 >> 1485530196.23309326 vbar (0.13170s) started
T00 << 1485530196.29640055 vbar (0.19501s) stopped
T00 >> 1485530196.29647112 XC 3D grid (76.88516s) started
T00 >> 1485530197.39684415 van der Waals (72.52271s) started
T00 >> 1485530197.60247803 semilocal (8.27830s) started
T00 << 1485530201.74351478 semilocal (12.41933s) stopped
T00 << 1485530233.62521124 van der Waals (108.75107s) stopped
T00 << 1485530234.54064083 XC 3D grid (115.12933s) stopped
T00 >> 1485530234.54067588 Poisson (50.94072s) started
T00 << 1485530257.47936511 Poisson (73.87941s) stopped
T00 >> 1485530257.47940612 Hartree integrate/restrict (1.63809s) started
T00 << 1485530257.57688904 Hartree integrate/restrict (1.73557s) stopped
T00 >> 1485530257.57695341 Hartree integrate/restrict (1.73559s) started
T00 << 1485530258.29962230 Hartree integrate/restrict (2.45826s) stopped
T00 >> 1485530258.29965806 Calculate atomic Hamiltonians (0.51340s) started
T00 << 1485530258.55136967 Calculate atomic Hamiltonians (0.76511s) stopped
T00 >> 1485530258.55140781 Atomic (13.95182s) started
T00 >> 1485530258.56758666 XC Correction (13.90085s) started
T00 << 1485530265.53820992 XC Correction (20.87147s) stopped
T00 << 1485530265.54726768 Atomic (20.94768s) stopped
T00 >> 1485530265.54740310 Communicate (0.03690s) started
T00 << 1485530265.56724095 Communicate (0.05674s) stopped
T00 << 1485530265.56725812 Hamiltonian (213.43246s) stopped
T00 >> 1485530265.56733251 LCAO eigensolver (591.06685s) started
T00 >> 1485530265.56735110 Potential matrix (1.15623s) started
T00 << 1485530265.95222211 Potential matrix (1.54111s) stopped
T00 >> 1485530265.95229721 ScipyAtomicCorrection (0.74755s) started
T00 << 1485530266.18672776 ScipyAtomicCorrection (0.98199s) stopped
T00 >> 1485530266.18677473 Distribute overlap matrix (118.48190s) started
T00 >> 1485530266.18680477 blocked summation (116.95342s) started
T00 << 1485530305.17496109 blocked summation (155.94158s) stopped
T00 >> 1485530305.17511773 Scalapack redistribute (1.52808s) started
T00 << 1485530305.67884398 Scalapack redistribute (2.03181s) stopped
T00 << 1485530305.67890525 Distribute overlap matrix (157.97403s) stopped
T00 >> 1485530305.69750953 Blacs Orbital Layouts (470.08748s) started
T00 >> 1485530305.69757390 General diagonalize (469.51857s) started
T00 << 1485530463.34712315 General diagonalize (627.16812s) stopped
T00 >> 1485530463.34721804 Redistribute coefs (0.28792s) started
T00 << 1485530463.43531561 Redistribute coefs (0.37601s) stopped
T00 >> 1485530463.43536329 Send coefs to domains (0.27889s) started
T00 << 1485530463.50516772 Send coefs to domains (0.34870s) stopped
T00 << 1485530463.50571609 Blacs Orbital Layouts (627.89569s) stopped
T00 >> 1485530463.50574088 Calculate projections (0.53641s) started
T00 << 1485530463.68676877 Calculate projections (0.71743s) stopped
T00 << 1485530463.68716002 LCAO eigensolver (789.18667s) stopped
T00 >> 1485530463.69439745 Density (175.37389s) started
T00 >> 1485530463.69441247 Pseudo density (69.41197s) started
T00 >> 1485530463.70084405 Calculate density matrix (65.62125s) started
T00 << 1485530485.57498884 Calculate density matrix (87.49539s) stopped
T00 >> 1485530485.57510448 Construct density (1.39018s) started
T00 << 1485530486.03817558 Construct density (1.85325s) stopped
T00 >> 1485530486.76865458 Symmetrize density (0.00025s) started
T00 << 1485530486.76871061 Symmetrize density (0.00031s) stopped
T00 << 1485530486.77868295 Pseudo density (92.49624s) stopped
T00 >> 1485530486.77871418 Atomic density matrices (103.04246s) started
T00 << 1485530521.17604685 Atomic density matrices (137.43980s) stopped
T00 >> 1485530521.17609262 Multipole moments (0.06657s) started
T00 << 1485530521.19735193 Multipole moments (0.08783s) stopped
T00 >> 1485530521.19737124 Normalize (0.08084s) started
T00 << 1485530521.22424984 Normalize (0.10772s) stopped
T00 >> 1485530521.22429657 Mix (2.77184s) started
T00 << 1485530522.27889442 Mix (3.82644s) stopped
T00 << 1485530522.27893043 Density (233.95842s) stopped
T00 >> 1485530522.27896118 Hamiltonian (213.43246s) started
T00 >> 1485530522.27897596 vbar (0.19506s) started
T00 << 1485530522.34215045 vbar (0.25823s) stopped
T00 >> 1485530522.34220457 XC 3D grid (115.12935s) started
T00 >> 1485530523.44494939 van der Waals (108.75114s) started
T00 >> 1485530523.64961386 semilocal (12.41938s) started
T00 << 1485530527.79054761 semilocal (16.56032s) stopped
T00 << 1485530559.55197668 van der Waals (144.85817s) stopped
T00 << 1485530560.43266940 XC 3D grid (153.21981s) stopped
T00 >> 1485530560.43271637 Poisson (73.87944s) started
T00 << 1485530583.37677860 Poisson (96.82350s) stopped
T00 >> 1485530583.37743139 Hartree integrate/restrict (2.45828s) started
T00 << 1485530583.47423649 Hartree integrate/restrict (2.55509s) stopped
T00 >> 1485530583.47429228 Hartree integrate/restrict (2.55511s) started
T00 << 1485530584.19614911 Hartree integrate/restrict (3.27697s) stopped
T00 >> 1485530584.19618559 Calculate atomic Hamiltonians (0.76514s) started
T00 << 1485530584.44767284 Calculate atomic Hamiltonians (1.01662s) stopped
T00 >> 1485530584.44771194 Atomic (20.94770s) started
T00 >> 1485530584.46374917 XC Correction (20.87149s) started
T00 << 1485530591.42662215 XC Correction (27.83437s) stopped
T00 << 1485530591.43593121 Atomic (27.93592s) stopped
T00 >> 1485530591.43606710 Communicate (0.05675s) started
T00 << 1485530591.45609164 Communicate (0.07677s) stopped
T00 << 1485530591.45610547 Hamiltonian (282.60961s) stopped
T00 >> 1485530591.45618606 LCAO eigensolver (789.18668s) started
T00 >> 1485530591.45620155 Potential matrix (1.54114s) started
T00 << 1485530591.84098482 Potential matrix (1.92593s) stopped
T00 >> 1485530591.84105849 ScipyAtomicCorrection (0.98203s) started
T00 << 1485530592.10012650 ScipyAtomicCorrection (1.24109s) stopped
T00 >> 1485530592.10017180 Distribute overlap matrix (157.97404s) started
T00 >> 1485530592.10019231 blocked summation (155.94165s) started
T00 << 1485530631.06709504 blocked summation (194.90855s) stopped
T00 >> 1485530631.06733036 Scalapack redistribute (2.03185s) started
T00 << 1485530631.57127213 Scalapack redistribute (2.53579s) stopped
T00 << 1485530631.57133126 Distribute overlap matrix (197.44520s) stopped
T00 >> 1485530631.58963418 Blacs Orbital Layouts (627.89571s) started
T00 >> 1485530631.58970332 General diagonalize (627.16820s) started
T00 << 1485530789.27460456 General diagonalize (784.85310s) stopped
T00 >> 1485530789.27469707 Redistribute coefs (0.37606s) started
T00 << 1485530789.36365056 Redistribute coefs (0.46501s) stopped
T00 >> 1485530789.36368275 Send coefs to domains (0.34882s) started
T00 << 1485530789.43349910 Send coefs to domains (0.41864s) stopped
T00 << 1485530789.43420839 Blacs Orbital Layouts (785.74028s) stopped
T00 >> 1485530789.43423653 Calculate projections (0.71746s) started
T00 << 1485530789.61674929 Calculate projections (0.89997s) stopped
T00 << 1485530789.61728668 LCAO eigensolver (987.34778s) stopped
T00 >> 1485530789.62538791 Density (233.95843s) started
T00 >> 1485530789.62540364 Pseudo density (92.49626s) started
T00 >> 1485530789.63177729 Calculate density matrix (87.49547s) started
T00 << 1485530811.49468017 Calculate density matrix (109.35837s) stopped
T00 >> 1485530811.49478793 Construct density (1.85329s) started
T00 << 1485530811.95787358 Construct density (2.31637s) stopped
T00 >> 1485530812.71733141 Symmetrize density (0.00032s) started
T00 << 1485530812.71738863 Symmetrize density (0.00037s) stopped
T00 << 1485530812.72735643 Pseudo density (115.59822s) stopped
T00 >> 1485530812.72738409 Atomic density matrices (137.43983s) started
T00 << 1485530847.10132337 Atomic density matrices (171.81377s) stopped
T00 >> 1485530847.10136771 Multipole moments (0.08784s) started
T00 << 1485530847.12380791 Multipole moments (0.11028s) stopped
T00 >> 1485530847.12382674 Normalize (0.10775s) started
T00 << 1485530847.15066338 Normalize (0.13459s) stopped
T00 >> 1485530847.15071177 Mix (3.82647s) started
T00 << 1485530848.27927709 Mix (4.95504s) stopped
T00 << 1485530848.27931118 Density (292.61236s) stopped
T00 >> 1485530848.27933741 Hamiltonian (282.60962s) started
T00 >> 1485530848.27935004 vbar (0.25827s) started
T00 << 1485530848.34398961 vbar (0.32291s) stopped
T00 >> 1485530848.34406161 XC 3D grid (153.21984s) started
T00 >> 1485530849.44426012 van der Waals (144.85827s) started
T00 >> 1485530849.65026855 semilocal (16.56036s) started
T00 << 1485530853.78660703 semilocal (20.69670s) stopped
T00 << 1485530885.73007870 van der Waals (181.14409s) stopped
T00 << 1485530886.61372328 XC 3D grid (191.48950s) stopped
T00 >> 1485530886.61375594 Poisson (96.82414s) started
T00 << 1485530907.02118397 Poisson (117.23157s) stopped
T00 >> 1485530907.02122545 Hartree integrate/restrict (3.27699s) started
T00 << 1485530907.11870408 Hartree integrate/restrict (3.37447s) stopped
T00 >> 1485530907.11875534 Hartree integrate/restrict (3.37449s) started
T00 << 1485530907.84376311 Hartree integrate/restrict (4.09950s) stopped
T00 >> 1485530907.84379697 Calculate atomic Hamiltonians (1.01665s) started
T00 << 1485530908.10219431 Calculate atomic Hamiltonians (1.27505s) stopped
T00 >> 1485530908.10222411 Atomic (27.93593s) started
T00 >> 1485530908.11869597 XC Correction (27.83439s) started
T00 << 1485530915.06181097 XC Correction (34.77750s) stopped
T00 << 1485530915.07108831 Atomic (34.90479s) stopped
T00 >> 1485530915.07123566 Communicate (0.07678s) started
T00 << 1485530915.08970571 Communicate (0.09525s) stopped
T00 << 1485530915.08971977 Hamiltonian (349.42000s) stopped
T00 >> 1485530915.08979201 LCAO eigensolver (987.34780s) started
T00 >> 1485530915.08980775 Potential matrix (1.92596s) started
T00 << 1485530915.47443724 Potential matrix (2.31059s) stopped
T00 >> 1485530915.47451568 ScipyAtomicCorrection (1.24113s) started
T00 << 1485530915.70840478 ScipyAtomicCorrection (1.47502s) stopped
T00 >> 1485530915.70845199 Distribute overlap matrix (197.44521s) started
T00 >> 1485530915.70848107 blocked summation (194.90870s) started
T00 << 1485530954.80203152 blocked summation (234.00225s) stopped
T00 >> 1485530954.80214739 Scalapack redistribute (2.53583s) started
T00 << 1485530955.30532622 Scalapack redistribute (3.03901s) stopped
T00 << 1485530955.30538154 Distribute overlap matrix (237.04214s) stopped
T00 >> 1485530955.32378793 Blacs Orbital Layouts (785.74030s) started
T00 >> 1485530955.32385254 General diagonalize (784.85318s) started
T00 << 1485531113.06693339 General diagonalize (942.59626s) stopped
T00 >> 1485531113.06702566 Redistribute coefs (0.46503s) started
T00 << 1485531113.15595627 Redistribute coefs (0.55396s) stopped
T00 >> 1485531113.15598917 Send coefs to domains (0.41866s) started
T00 << 1485531113.22562957 Send coefs to domains (0.48830s) stopped
T00 << 1485531113.22613835 Blacs Orbital Layouts (943.64265s) stopped
T00 >> 1485531113.22625279 Calculate projections (0.90000s) started
T00 << 1485531113.41001606 Calculate projections (1.08376s) stopped
T00 << 1485531113.41040516 LCAO eigensolver (1185.66841s) stopped
T00 >> 1485531113.41661191 Density (292.61237s) started
T00 >> 1485531113.41662502 Pseudo density (115.59823s) started
T00 >> 1485531113.42297959 Calculate density matrix (109.35844s) started
T00 << 1485531135.46009111 Calculate density matrix (131.39555s) stopped
T00 >> 1485531135.46020579 Construct density (2.31641s) started
T00 << 1485531135.92327738 Construct density (2.77948s) stopped
T00 >> 1485531136.68599582 Symmetrize density (0.00038s) started
T00 << 1485531136.68605185 Symmetrize density (0.00044s) stopped
T00 << 1485531136.69599104 Pseudo density (138.87760s) stopped
T00 >> 1485531136.69601846 Atomic density matrices (171.81380s) started
T00 << 1485531171.20634627 Atomic density matrices (206.32412s) stopped
T00 >> 1485531171.20639253 Multipole moments (0.11030s) started
T00 << 1485531171.22863078 Multipole moments (0.13253s) stopped
T00 >> 1485531171.22865152 Normalize (0.13462s) started
T00 << 1485531171.25569868 Normalize (0.16167s) stopped
T00 >> 1485531171.25575089 Mix (4.95507s) started
T00 << 1485531172.38714314 Mix (6.08647s) stopped
T00 << 1485531172.38717723 Density (351.58293s) stopped
T00 >> 1485531172.38720655 Hamiltonian (349.42001s) started
T00 >> 1485531172.38721848 vbar (0.32296s) started
T00 << 1485531172.45303035 vbar (0.38877s) stopped
T00 >> 1485531172.45310116 XC 3D grid (191.48953s) started
T00 >> 1485531173.54867172 van der Waals (181.14418s) started
T00 >> 1485531173.75261569 semilocal (20.69674s) started
T00 << 1485531177.89334941 semilocal (24.83747s) stopped
T00 << 1485531209.82526851 van der Waals (217.42078s) stopped
T00 << 1485531210.70162344 XC 3D grid (229.73805s) stopped
T00 >> 1485531210.70166039 Poisson (117.23160s) started
T00 << 1485531236.16574359 Poisson (142.69569s) stopped
T00 >> 1485531236.16578102 Hartree integrate/restrict (4.09952s) started
T00 << 1485531236.26313686 Hartree integrate/restrict (4.19688s) stopped
T00 >> 1485531236.26318812 Hartree integrate/restrict (4.19690s) started
T00 << 1485531236.98481894 Hartree integrate/restrict (4.91853s) stopped
T00 >> 1485531236.98486137 Calculate atomic Hamiltonians (1.27507s) started
T00 << 1485531237.23873520 Calculate atomic Hamiltonians (1.52894s) stopped
T00 >> 1485531237.23877478 Atomic (34.90481s) started
T00 >> 1485531237.25471497 XC Correction (34.77754s) started
T00 << 1485531244.19902277 XC Correction (41.72185s) stopped
T00 << 1485531244.20835757 Atomic (41.87439s) stopped
T00 >> 1485531244.20849061 Communicate (0.09526s) started
T00 << 1485531244.22600913 Communicate (0.11277s) stopped
T00 << 1485531244.22602296 Hamiltonian (421.25882s) stopped
T00 >> 1485531244.22611618 LCAO eigensolver (1185.66842s) started
T00 >> 1485531244.22613168 Potential matrix (2.31063s) started
T00 << 1485531244.61093950 Potential matrix (2.69544s) stopped
T00 >> 1485531244.61101651 ScipyAtomicCorrection (1.47506s) started
T00 << 1485531244.86979127 ScipyAtomicCorrection (1.73383s) stopped
T00 >> 1485531244.86983466 Distribute overlap matrix (237.04215s) started
T00 >> 1485531244.86985517 blocked summation (234.00229s) started
T00 << 1485531284.33878541 blocked summation (273.47122s) stopped
T00 >> 1485531284.33893776 Scalapack redistribute (3.03905s) started
T00 << 1485531284.84778786 Scalapack redistribute (3.54790s) stopped
T00 << 1485531284.84785056 Distribute overlap matrix (277.02016s) stopped
T00 >> 1485531284.86638641 Blacs Orbital Layouts (943.64276s) started
T00 >> 1485531284.86645484 General diagonalize (942.59633s) started
T00 << 1485531442.58249593 General diagonalize (1100.31237s) stopped
T00 >> 1485531442.58259320 Redistribute coefs (0.55399s) started
T00 << 1485531442.67169642 Redistribute coefs (0.64309s) stopped
T00 >> 1485531442.67173386 Send coefs to domains (0.48833s) started
T00 << 1485531442.74145150 Send coefs to domains (0.55805s) stopped
T00 << 1485531442.74190450 Blacs Orbital Layouts (1101.51828s) stopped
T00 >> 1485531442.74192715 Calculate projections (1.08379s) started
T00 << 1485531442.92315221 Calculate projections (1.26502s) stopped
T00 << 1485531442.92353916 LCAO eigensolver (1384.36584s) stopped
T00 >> 1485531442.93020105 Density (351.58294s) started
T00 >> 1485531442.93021727 Pseudo density (138.87762s) started
T00 >> 1485531442.93654251 Calculate density matrix (131.39563s) started
T00 << 1485531464.90531445 Calculate density matrix (153.36440s) stopped
T00 >> 1485531464.90543079 Construct density (2.77952s) started
T00 << 1485531465.36850810 Construct density (3.24260s) stopped
T00 >> 1485531466.12084341 Symmetrize density (0.00045s) started
T00 << 1485531466.12090540 Symmetrize density (0.00051s) stopped
T00 << 1485531466.13082576 Pseudo density (162.07822s) stopped
T00 >> 1485531466.13085365 Atomic density matrices (206.32416s) started
T00 << 1485531501.21766138 Atomic density matrices (241.41096s) stopped
T00 >> 1485531501.21770883 Multipole moments (0.13255s) started
T00 << 1485531501.23952842 Multipole moments (0.15437s) stopped
T00 >> 1485531501.23954916 Normalize (0.16171s) started
T00 << 1485531501.26644325 Normalize (0.18861s) stopped
T00 >> 1485531501.26649117 Mix (6.08650s) started
T00 << 1485531502.39504552 Mix (7.21505s) stopped
T00 << 1485531502.39507794 Density (411.04782s) stopped
T00 >> 1485531502.39510298 Hamiltonian (421.25883s) started
T00 >> 1485531502.39512205 vbar (0.38882s) started
T00 << 1485531502.46028829 vbar (0.45399s) stopped
T00 >> 1485531502.46035242 XC 3D grid (229.73807s) started
T00 >> 1485531503.55504775 van der Waals (217.42089s) started
T00 >> 1485531503.76056719 semilocal (24.83751s) started
T00 << 1485531507.89924932 semilocal (28.97619s) stopped
T00 << 1485531539.66978860 van der Waals (253.53563s) stopped
T00 << 1485531540.57177210 XC 3D grid (267.84949s) stopped
T00 >> 1485531540.57182002 Poisson (142.69571s) started
T00 << 1485531566.03533959 Poisson (168.15923s) stopped
T00 >> 1485531566.03609753 Hartree integrate/restrict (4.91856s) started
T00 << 1485531566.13222194 Hartree integrate/restrict (5.01468s) stopped
T00 >> 1485531566.13227987 Hartree integrate/restrict (5.01470s) started
T00 << 1485531566.85631275 Hartree integrate/restrict (5.73874s) stopped
T00 >> 1485531566.85635114 Calculate atomic Hamiltonians (1.52897s) started
T00 << 1485531567.10865045 Calculate atomic Hamiltonians (1.78127s) stopped
T00 >> 1485531567.10868931 Atomic (41.87441s) started
T00 >> 1485531567.12487960 XC Correction (41.72186s) started
T00 << 1485531574.06795382 XC Correction (48.66494s) stopped
T00 << 1485531574.07720065 Atomic (48.84292s) stopped
T00 >> 1485531574.07733297 Communicate (0.11278s) started
T00 << 1485531574.09403515 Communicate (0.12948s) stopped
T00 << 1485531574.09405136 Hamiltonian (492.95778s) stopped
T00 >> 1485531574.09413576 LCAO eigensolver (1384.36586s) started
T00 >> 1485531574.09415221 Potential matrix (2.69547s) started
T00 << 1485531574.47878599 Potential matrix (3.08011s) stopped
T00 >> 1485531574.47886133 ScipyAtomicCorrection (1.73387s) started
T00 << 1485531574.71307778 ScipyAtomicCorrection (1.96809s) stopped
T00 >> 1485531574.71313262 Distribute overlap matrix (277.02017s) started
T00 >> 1485531574.71316218 blocked summation (273.47129s) started
T00 << 1485531614.18946314 blocked summation (312.94759s) stopped
T00 >> 1485531614.18962049 Scalapack redistribute (3.54794s) started
T00 << 1485531614.69336605 Scalapack redistribute (4.05168s) stopped
T00 << 1485531614.69342661 Distribute overlap matrix (317.00047s) stopped
T00 >> 1485531614.71181417 Blacs Orbital Layouts (1101.51829s) started
T00 >> 1485531614.71188092 General diagonalize (1100.31245s) started
T00 << 1485531772.39493895 General diagonalize (1257.99551s) stopped
T00 >> 1485531772.39503217 Redistribute coefs (0.64312s) started
T00 << 1485531772.48388100 Redistribute coefs (0.73197s) stopped
T00 >> 1485531772.48392010 Send coefs to domains (0.55808s) started
T00 << 1485531772.55357075 Send coefs to domains (0.62773s) stopped
T00 << 1485531772.55407596 Blacs Orbital Layouts (1259.36055s) stopped
T00 >> 1485531772.55420113 Calculate projections (1.26504s) started
T00 << 1485531772.73539805 Calculate projections (1.44624s) stopped
T00 << 1485531772.73594737 LCAO eigensolver (1583.00767s) stopped
T00 >> 1485531772.74217319 Density (411.04782s) started
T00 >> 1485531772.74218678 Pseudo density (162.07824s) started
T00 >> 1485531772.74855685 Calculate density matrix (153.36448s) started
T00 << 1485531794.65213895 Calculate density matrix (175.26806s) stopped
T00 >> 1485531794.65225124 Construct density (3.24264s) started
T00 << 1485531795.11538625 Construct density (3.70577s) stopped
T00 >> 1485531795.86953688 Symmetrize density (0.00052s) started
T00 << 1485531795.86959291 Symmetrize density (0.00058s) stopped
T00 << 1485531795.87957191 Pseudo density (185.21563s) stopped
T00 >> 1485531795.87959909 Atomic density matrices (241.41100s) started
T00 << 1485531830.96792150 Atomic density matrices (276.49932s) stopped
T00 >> 1485531830.96796727 Multipole moments (0.15438s) started
T00 << 1485531830.98971415 Multipole moments (0.17613s) stopped
T00 >> 1485531830.98973346 Normalize (0.18864s) started
T00 << 1485531831.01673889 Normalize (0.21565s) stopped
T00 >> 1485531831.01678944 Mix (7.21509s) started
T00 << 1485531832.14546442 Mix (8.34376s) stopped
T00 << 1485531832.14549708 Density (470.45115s) stopped
T00 >> 1485531832.14552379 Hamiltonian (492.95778s) started
T00 >> 1485531832.14553714 vbar (0.45404s) started
T00 << 1485531832.21127820 vbar (0.51978s) stopped
T00 >> 1485531832.21135283 XC 3D grid (267.84952s) started
T00 >> 1485531833.30673409 van der Waals (253.53571s) started
T00 >> 1485531833.51279950 semilocal (28.97624s) started
T00 << 1485531837.65020108 semilocal (33.11364s) stopped
T00 << 1485531869.51473570 van der Waals (289.74371s) stopped
T00 << 1485531870.42028236 XC 3D grid (306.05845s) stopped
T00 >> 1485531870.42032337 Poisson (168.15998s) started
T00 << 1485531898.41426396 Poisson (196.15392s) stopped
T00 >> 1485531898.41430163 Hartree integrate/restrict (5.73876s) started
T00 << 1485531898.51138377 Hartree integrate/restrict (5.83584s) stopped
T00 >> 1485531898.51144099 Hartree integrate/restrict (5.83586s) started
T00 << 1485531899.23142195 Hartree integrate/restrict (6.55584s) stopped
T00 >> 1485531899.23145866 Calculate atomic Hamiltonians (1.78129s) started
T00 << 1485531899.48408389 Calculate atomic Hamiltonians (2.03392s) stopped
T00 >> 1485531899.48413420 Atomic (48.84293s) started
T00 >> 1485531899.50034165 XC Correction (48.66496s) started
T00 << 1485531906.46240783 XC Correction (55.62703s) stopped
T00 << 1485531906.47179055 Atomic (55.83059s) stopped
T00 >> 1485531906.47193289 Communicate (0.12949s) started
T00 << 1485531906.48915577 Communicate (0.14672s) stopped
T00 << 1485531906.48917127 Hamiltonian (567.30143s) stopped
T00 >> 1485531906.48924589 LCAO eigensolver (1583.00768s) started
T00 >> 1485531906.48926163 Potential matrix (3.08015s) started
T00 << 1485531906.87386060 Potential matrix (3.46474s) stopped
T00 >> 1485531906.87393570 ScipyAtomicCorrection (1.96813s) started
T00 << 1485531907.13298988 ScipyAtomicCorrection (2.22719s) stopped
T00 >> 1485531907.13303423 Distribute overlap matrix (317.00048s) started
T00 >> 1485531907.13305497 blocked summation (312.94765s) started
T00 << 1485531946.65462708 blocked summation (352.46923s) stopped
T00 >> 1485531946.65477490 Scalapack redistribute (4.05172s) started
T00 << 1485531947.16391420 Scalapack redistribute (4.56086s) stopped
T00 << 1485531947.16397333 Distribute overlap matrix (357.03142s) stopped
T00 >> 1485531947.18256211 Blacs Orbital Layouts (1259.36067s) started
T00 >> 1485531947.18263626 General diagonalize (1257.99558s) started
T00 << 1485532104.84935856 General diagonalize (1415.66230s) stopped
T00 >> 1485532104.84945488 Redistribute coefs (0.73201s) started
T00 << 1485532104.93798780 Redistribute coefs (0.82054s) stopped
T00 >> 1485532104.93802500 Send coefs to domains (0.62777s) started
T00 << 1485532105.00780034 Send coefs to domains (0.69754s) stopped
T00 << 1485532105.00856590 Blacs Orbital Layouts (1417.18667s) stopped
T00 >> 1485532105.00859523 Calculate projections (1.44626s) started
T00 << 1485532105.18941998 Calculate projections (1.62708s) stopped
T00 << 1485532105.18981075 LCAO eigensolver (1781.70825s) stopped
T00 >> 1485532105.19697833 Density (470.45116s) started
T00 >> 1485532105.19699359 Pseudo density (185.21564s) started
T00 >> 1485532105.20332527 Calculate density matrix (175.26813s) started
T00 << 1485532127.10995364 Calculate density matrix (197.17476s) stopped
T00 >> 1485532127.11006594 Construct density (3.70581s) started
T00 << 1485532127.57328033 Construct density (4.16902s) stopped
T00 >> 1485532128.32875919 Symmetrize density (0.00059s) started
T00 << 1485532128.32881737 Symmetrize density (0.00065s) stopped
T00 << 1485532128.33882213 Pseudo density (208.35747s) stopped
T00 >> 1485532128.33884764 Atomic density matrices (276.49935s) started
T00 << 1485532163.42708373 Atomic density matrices (311.58758s) stopped
T00 >> 1485532163.42713952 Multipole moments (0.17615s) started
T00 << 1485532163.44921923 Multipole moments (0.19823s) stopped
T00 >> 1485532163.44923902 Normalize (0.21569s) started
T00 << 1485532163.47638083 Normalize (0.24283s) stopped
T00 >> 1485532163.47643065 Mix (8.34379s) started
T00 << 1485532164.61588621 Mix (9.48325s) stopped
T00 << 1485532164.61591434 Density (529.87009s) stopped
T00 >> 1485532164.61593890 Hamiltonian (567.30144s) started
T00 >> 1485532164.61595058 vbar (0.51983s) started
T00 << 1485532164.68022609 vbar (0.58411s) stopped
T00 >> 1485532164.68029737 XC 3D grid (306.05848s) started
T00 >> 1485532165.77654481 van der Waals (289.74379s) started
T00 >> 1485532165.98132968 semilocal (33.11367s) started
T00 << 1485532170.11792040 semilocal (37.25027s) stopped
T00 << 1485532202.06753063 van der Waals (326.03477s) stopped
T00 << 1485532202.96270704 XC 3D grid (344.34089s) stopped
T00 >> 1485532202.96273494 Poisson (196.15395s) started
T00 << 1485532228.42299962 Poisson (221.61421s) stopped
T00 >> 1485532228.42367554 Hartree integrate/restrict (6.55587s) started
T00 << 1485532228.52069807 Hartree integrate/restrict (6.65289s) stopped
T00 >> 1485532228.52074289 Hartree integrate/restrict (6.65291s) started
T00 << 1485532229.24134231 Hartree integrate/restrict (7.37351s) stopped
T00 >> 1485532229.24137497 Calculate atomic Hamiltonians (2.03396s) started
T00 << 1485532229.49560690 Calculate atomic Hamiltonians (2.28819s) stopped
T00 >> 1485532229.49564815 Atomic (55.83060s) started
T00 >> 1485532229.51184511 XC Correction (55.62706s) started
T00 << 1485532236.46530008 XC Correction (62.58052s) stopped
T00 << 1485532236.47459316 Atomic (62.80955s) stopped
T00 >> 1485532236.47473764 Communicate (0.14672s) started
T00 << 1485532236.49147630 Communicate (0.16346s) stopped
T00 << 1485532236.49149084 Hamiltonian (639.17699s) stopped
T00 >> 1485532236.49157500 LCAO eigensolver (1781.70826s) started
T00 >> 1485532236.49220848 Potential matrix (3.46478s) started
T00 << 1485532236.87780166 Potential matrix (3.85037s) stopped
T00 >> 1485532236.87791395 ScipyAtomicCorrection (2.22723s) started
T00 << 1485532237.11182499 ScipyAtomicCorrection (2.46114s) stopped
T00 >> 1485532237.11187267 Distribute overlap matrix (357.03142s) started
T00 >> 1485532237.11189890 blocked summation (352.46929s) started
T00 << 1485532276.58915472 blocked summation (391.94655s) stopped
T00 >> 1485532276.58924866 Scalapack redistribute (4.56090s) started
T00 << 1485532277.09333658 Scalapack redistribute (5.06499s) stopped
T00 << 1485532277.09339309 Distribute overlap matrix (397.01295s) stopped
T00 >> 1485532277.11188459 Blacs Orbital Layouts (1417.18670s) started
T00 >> 1485532277.11194468 General diagonalize (1415.66238s) started
T00 << 1485532434.85609317 General diagonalize (1573.40653s) stopped
T00 >> 1485532434.85619235 Redistribute coefs (0.82057s) started
T00 << 1485532434.94458914 Redistribute coefs (0.90896s) stopped
T00 >> 1485532434.94462609 Send coefs to domains (0.69757s) started
T00 << 1485532435.01439476 Send coefs to domains (0.76734s) stopped
T00 << 1485532435.01507092 Blacs Orbital Layouts (1575.08988s) stopped
T00 >> 1485532435.01519227 Calculate projections (1.62711s) started
T00 << 1485532435.19479942 Calculate projections (1.80672s) stopped
T00 << 1485532435.19520235 LCAO eigensolver (1980.41188s) stopped
T00 >> 1485532435.19877338 Density (529.87010s) started
T00 >> 1485532435.19878745 Pseudo density (208.35748s) started
T00 >> 1485532435.20514655 Calculate density matrix (197.17483s) started
T00 << 1485532457.14168859 Calculate density matrix (219.11137s) stopped
T00 >> 1485532457.14180636 Construct density (4.16907s) started
T00 << 1485532457.60477328 Construct density (4.63203s) stopped
T00 >> 1485532458.36106563 Symmetrize density (0.00066s) started
T00 << 1485532458.36112761 Symmetrize density (0.00072s) stopped
T00 << 1485532458.37101507 Pseudo density (231.52971s) stopped
T00 >> 1485532458.37103963 Atomic density matrices (311.58763s) started
T00 << 1485532493.45152330 Atomic density matrices (346.66811s) stopped
T00 >> 1485532493.45156884 Multipole moments (0.19824s) started
T00 << 1485532493.47296405 Multipole moments (0.21964s) stopped
T00 >> 1485532493.47298360 Normalize (0.24287s) started
T00 << 1485532493.49994969 Normalize (0.26983s) stopped
T00 >> 1485532493.49999809 Mix (9.48328s) started
T00 << 1485532494.62797928 Mix (10.61126s) stopped
T00 << 1485532494.62801456 Density (589.29934s) stopped
T00 >> 1485532494.62804008 Hamiltonian (639.17700s) started
T00 >> 1485532494.62805152 vbar (0.58415s) started
T00 << 1485532494.69218683 vbar (0.64829s) stopped
T00 >> 1485532494.69225001 XC 3D grid (344.34091s) started
T00 >> 1485532495.78832889 van der Waals (326.03483s) started
T00 >> 1485532495.99496436 semilocal (37.25033s) started
T00 << 1485532500.12924862 semilocal (41.38461s) stopped
T00 << 1485532532.17497635 van der Waals (362.42148s) stopped
T00 << 1485532533.04370689 XC 3D grid (382.69237s) stopped
T00 >> 1485532533.04374433 Poisson (221.61488s) started
T00 << 1485532558.49237561 Poisson (247.06351s) stopped
T00 >> 1485532558.49240923 Hartree integrate/restrict (7.37353s) started
T00 << 1485532558.58948565 Hartree integrate/restrict (7.47060s) stopped
T00 >> 1485532558.58954859 Hartree integrate/restrict (7.47063s) started
T00 << 1485532559.31370878 Hartree integrate/restrict (8.19479s) stopped
T00 >> 1485532559.31374741 Calculate atomic Hamiltonians (2.28822s) started
T00 << 1485532559.56532192 Calculate atomic Hamiltonians (2.53979s) stopped
T00 >> 1485532559.56536174 Atomic (62.80956s) started
T00 >> 1485532559.58164954 XC Correction (62.58055s) started
T00 << 1485532566.53416419 XC Correction (69.53307s) stopped
T00 << 1485532566.54358149 Atomic (69.78778s) stopped
T00 >> 1485532566.54371762 Communicate (0.16347s) started
T00 << 1485532566.56089544 Communicate (0.18065s) stopped
T00 << 1485532566.56090856 Hamiltonian (711.10986s) stopped
T00 >> 1485532566.56098485 LCAO eigensolver (1980.41190s) started
T00 >> 1485532566.56100130 Potential matrix (3.85043s) started
T00 << 1485532566.94569492 Potential matrix (4.23512s) stopped
T00 >> 1485532566.94576907 ScipyAtomicCorrection (2.46118s) started
T00 << 1485532567.20521545 ScipyAtomicCorrection (2.72062s) stopped
T00 >> 1485532567.20526004 Distribute overlap matrix (397.01295s) started
T00 >> 1485532567.20528102 blocked summation (391.94658s) started
T00 << 1485532606.67830324 blocked summation (431.41960s) stopped
T00 >> 1485532606.67846203 Scalapack redistribute (5.06502s) started
T00 << 1485532607.19068360 Scalapack redistribute (5.57725s) stopped
T00 << 1485532607.19076014 Distribute overlap matrix (436.99845s) stopped
T00 >> 1485532607.20928907 Blacs Orbital Layouts (1575.09000s) started
T00 >> 1485532607.20936441 General diagonalize (1573.40661s) started
T00 << 1485532765.06457114 General diagonalize (1731.26182s) stopped
T00 >> 1485532765.06466651 Redistribute coefs (0.90899s) started
T00 << 1485532765.15314341 Redistribute coefs (0.99747s) stopped
T00 >> 1485532765.15318131 Send coefs to domains (0.76737s) started
T00 << 1485532765.22290897 Send coefs to domains (0.83710s) stopped
T00 << 1485532765.22372794 Blacs Orbital Layouts (1733.10444s) stopped
T00 >> 1485532765.22375274 Calculate projections (1.80675s) started
T00 << 1485532765.40332365 Calculate projections (1.98632s) stopped
T00 << 1485532765.40388203 LCAO eigensolver (2179.25479s) stopped
T00 >> 1485532765.40665436 Density (589.29935s) started
T00 >> 1485532765.40667057 Pseudo density (231.52973s) started
T00 >> 1485532765.41303587 Calculate density matrix (219.11145s) started
T00 << 1485532787.30319428 Calculate density matrix (241.00161s) stopped
T00 >> 1485532787.30330634 Construct density (4.63207s) started
T00 << 1485532787.76637745 Construct density (5.09514s) stopped
T00 >> 1485532788.52153850 Symmetrize density (0.00073s) started
T00 << 1485532788.52161145 Symmetrize density (0.00080s) stopped
T00 << 1485532788.53156686 Pseudo density (254.65462s) stopped
T00 >> 1485532788.53159380 Atomic density matrices (346.66814s) started
T00 << 1485532823.60778117 Atomic density matrices (381.74433s) stopped
T00 >> 1485532823.60782671 Multipole moments (0.21965s) started
T00 << 1485532823.62988424 Multipole moments (0.24171s) stopped
T00 >> 1485532823.62990451 Normalize (0.26987s) started
T00 << 1485532823.65669870 Normalize (0.29666s) stopped
T00 >> 1485532823.65674376 Mix (10.61129s) started
T00 << 1485532824.78812885 Mix (11.74268s) stopped
T00 << 1485532824.78816390 Density (648.68086s) stopped
T00 >> 1485532824.78819108 Hamiltonian (711.10987s) started
T00 >> 1485532824.78820395 vbar (0.64833s) started
T00 << 1485532824.85143924 vbar (0.71157s) stopped
T00 >> 1485532824.85150266 XC 3D grid (382.69239s) started
T00 >> 1485532825.95602202 van der Waals (362.42160s) started
T00 >> 1485532826.15777087 semilocal (41.38465s) started
T00 << 1485532830.30043173 semilocal (45.52731s) stopped
T00 << 1485532862.21903157 van der Waals (398.68461s) stopped
T00 << 1485532863.12769222 XC 3D grid (420.96858s) stopped
T00 >> 1485532863.12773275 Poisson (247.06354s) started
T00 << 1485532886.06370521 Poisson (269.99951s) stopped
T00 >> 1485532886.06374002 Hartree integrate/restrict (8.19481s) started
T00 << 1485532886.16085625 Hartree integrate/restrict (8.29193s) stopped
T00 >> 1485532886.16091490 Hartree integrate/restrict (8.29195s) started
T00 << 1485532886.87118220 Hartree integrate/restrict (9.00222s) stopped
T00 >> 1485532886.87122178 Calculate atomic Hamiltonians (2.53982s) started
T00 << 1485532887.13531637 Calculate atomic Hamiltonians (2.80391s) stopped
T00 >> 1485532887.13535547 Atomic (69.78779s) started
T00 >> 1485532887.15138698 XC Correction (69.53309s) started
T00 << 1485532894.10945535 XC Correction (76.49115s) stopped
T00 << 1485532894.11857939 Atomic (76.77102s) stopped
T00 >> 1485532894.11871839 Communicate (0.18066s) started
T00 << 1485532894.13627839 Communicate (0.19822s) stopped
T00 << 1485532894.13629246 Hamiltonian (780.45797s) stopped
T00 >> 1485532894.13637233 LCAO eigensolver (2179.25480s) started
T00 >> 1485532894.13638878 Potential matrix (4.23516s) started
T00 << 1485532894.52108002 Potential matrix (4.61985s) stopped
T00 >> 1485532894.52116394 ScipyAtomicCorrection (2.72066s) started
T00 << 1485532894.75462055 ScipyAtomicCorrection (2.95412s) stopped
T00 >> 1485532894.75466633 Distribute overlap matrix (436.99846s) started
T00 >> 1485532894.75469446 blocked summation (431.41967s) started
T00 << 1485532934.22801232 blocked summation (470.89299s) stopped
T00 >> 1485532934.22817135 Scalapack redistribute (5.57730s) started
T00 << 1485532934.73273063 Scalapack redistribute (6.08186s) stopped
T00 << 1485532934.73279357 Distribute overlap matrix (476.97659s) stopped
T00 >> 1485532934.75113940 Blacs Orbital Layouts (1733.10445s) started
T00 >> 1485532934.75120687 General diagonalize (1731.26189s) started
T00 << 1485533092.40042639 General diagonalize (1888.91111s) stopped
T00 >> 1485533092.40051651 Redistribute coefs (0.99750s) started
T00 << 1485533092.48903537 Redistribute coefs (1.08602s) stopped
T00 >> 1485533092.48907208 Send coefs to domains (0.83713s) started
T00 << 1485533092.55875683 Send coefs to domains (0.90681s) stopped
T00 << 1485533092.55951595 Blacs Orbital Layouts (1890.91283s) stopped
T00 >> 1485533092.55963755 Calculate projections (1.98634s) started
T00 << 1485533092.74208593 Calculate projections (2.16879s) stopped
T00 << 1485533092.74251533 LCAO eigensolver (2377.86095s) stopped
T00 >> 1485533092.74541831 Density (648.68087s) started
T00 >> 1485533092.74543262 Pseudo density (254.65464s) started
T00 >> 1485533092.75177622 Calculate density matrix (241.00168s) started
T00 << 1485533114.66546440 Calculate density matrix (262.91537s) stopped
T00 >> 1485533114.66557050 Construct density (5.09518s) started
T00 << 1485533115.12919140 Construct density (5.55880s) stopped
T00 >> 1485533115.87972474 Symmetrize density (0.00082s) started
T00 << 1485533115.87978244 Symmetrize density (0.00087s) stopped
T00 << 1485533115.89031458 Pseudo density (277.79952s) stopped
T00 >> 1485533115.89034057 Atomic density matrices (381.74436s) started
T00 << 1485533150.98221946 Atomic density matrices (416.83624s) stopped
T00 >> 1485533150.98226666 Multipole moments (0.24172s) started
T00 << 1485533151.00433278 Multipole moments (0.26379s) stopped
T00 >> 1485533151.00435448 Normalize (0.29669s) started
T00 << 1485533151.03126431 Normalize (0.32360s) stopped
T00 >> 1485533151.03131199 Mix (11.74271s) started
T00 << 1485533152.15940714 Mix (12.87081s) stopped
T00 << 1485533152.15944242 Density (708.09489s) stopped
T00 >> 1485533152.15947032 Hamiltonian (780.45798s) started
T00 >> 1485533152.15948248 vbar (0.71161s) started
T00 << 1485533152.22342992 vbar (0.77556s) stopped
T00 >> 1485533152.22349334 XC 3D grid (420.96861s) started
T00 >> 1485533153.32444453 van der Waals (398.68468s) started
T00 >> 1485533153.53214335 semilocal (45.52735s) started
T00 << 1485533157.67222357 semilocal (49.66743s) stopped
T00 << 1485533189.70188189 van der Waals (435.06212s) stopped
T00 << 1485533190.59399390 XC 3D grid (459.33911s) stopped
T00 >> 1485533190.59403396 Poisson (269.99953s) started
T00 << 1485533218.61232924 Poisson (298.01783s) stopped
T00 >> 1485533218.61310267 Hartree integrate/restrict (9.00225s) started
T00 << 1485533218.71010542 Hartree integrate/restrict (9.09925s) stopped
T00 >> 1485533218.71016407 Hartree integrate/restrict (9.09928s) started
T00 << 1485533219.43267536 Hartree integrate/restrict (9.82179s) stopped
T00 >> 1485533219.43273950 Calculate atomic Hamiltonians (2.80394s) started
T00 << 1485533219.68646073 Calculate atomic Hamiltonians (3.05766s) stopped
T00 >> 1485533219.68649769 Atomic (76.77104s) started
T00 >> 1485533219.70283604 XC Correction (76.49117s) started
T00 << 1485533226.67693663 XC Correction (83.46527s) stopped
T00 << 1485533226.68660212 Atomic (83.77114s) stopped
T00 >> 1485533226.68674755 Communicate (0.19822s) started
T00 << 1485533226.70489264 Communicate (0.21637s) stopped
T00 << 1485533226.70490766 Hamiltonian (855.00342s) stopped
T00 >> 1485533226.70498872 LCAO eigensolver (2377.86096s) started
T00 >> 1485533226.70500612 Potential matrix (4.61989s) started
T00 << 1485533227.08930516 Potential matrix (5.00419s) stopped
T00 >> 1485533227.08937931 ScipyAtomicCorrection (2.95416s) started
T00 << 1485533227.34979033 ScipyAtomicCorrection (3.21457s) stopped
T00 >> 1485533227.34983683 Distribute overlap matrix (476.97660s) started
T00 >> 1485533227.34985805 blocked summation (470.89305s) started
T00 << 1485533266.82314277 blocked summation (510.36634s) stopped
T00 >> 1485533266.82330060 Scalapack redistribute (6.08190s) started
T00 << 1485533267.33251262 Scalapack redistribute (6.59111s) stopped
T00 << 1485533267.33257556 Distribute overlap matrix (516.95934s) stopped
T00 >> 1485533267.35106778 Blacs Orbital Layouts (1890.91294s) started
T00 >> 1485533267.35114431 General diagonalize (1888.91118s) started
T00 << 1485533425.07549047 General diagonalize (2046.63553s) stopped
T00 >> 1485533425.07558656 Redistribute coefs (1.08605s) started
T00 << 1485533425.16450500 Redistribute coefs (1.17497s) stopped
T00 >> 1485533425.16454244 Send coefs to domains (0.90684s) started
T00 << 1485533425.23429799 Send coefs to domains (0.97660s) stopped
T00 << 1485533425.23518538 Blacs Orbital Layouts (2048.79706s) stopped
T00 >> 1485533425.23521757 Calculate projections (2.16884s) started
T00 << 1485533425.41508007 Calculate projections (2.34870s) stopped
T00 << 1485533425.41548777 LCAO eigensolver (2576.57146s) stopped
T00 >> 1485533425.41903234 Density (708.09490s) started
T00 >> 1485533425.41904807 Pseudo density (277.79954s) started
T00 >> 1485533425.42541957 Calculate density matrix (262.91543s) started
T00 << 1485533447.50441217 Calculate density matrix (284.99443s) stopped
T00 >> 1485533447.50452161 Construct density (5.55888s) started
T00 << 1485533447.96730804 Construct density (6.02166s) stopped
T00 >> 1485533448.72264981 Symmetrize density (0.00088s) started
T00 << 1485533448.72272444 Symmetrize density (0.00096s) stopped
T00 << 1485533448.73336983 Pseudo density (301.11386s) stopped
T00 >> 1485533448.73339987 Atomic density matrices (416.83627s) started
T00 << 1485533483.81205034 Atomic density matrices (451.91492s) stopped
T00 >> 1485533483.81209636 Multipole moments (0.26380s) started
T00 << 1485533483.83506417 Multipole moments (0.28677s) stopped
T00 >> 1485533483.83508444 Normalize (0.32364s) started
T00 << 1485533483.86202931 Normalize (0.35058s) stopped
T00 >> 1485533483.86207199 Mix (12.87084s) started
T00 << 1485533484.99209833 Mix (14.00087s) stopped
T00 << 1485533484.99213839 Density (767.66800s) stopped
T00 >> 1485533484.99216366 Hamiltonian (855.00342s) started
T00 >> 1485533484.99217534 vbar (0.77561s) started
T00 << 1485533485.05689144 vbar (0.84032s) stopped
T00 >> 1485533485.05696607 XC 3D grid (459.33914s) started
T00 >> 1485533486.14919949 van der Waals (435.06221s) started
T00 >> 1485533486.35614896 semilocal (49.66747s) started
T00 << 1485533490.50078034 semilocal (53.81210s) stopped
T00 << 1485533522.25665212 van der Waals (471.16967s) stopped
T00 << 1485533523.13725686 XC 3D grid (497.41943s) stopped
T00 >> 1485533523.13728547 Poisson (298.01859s) started
T00 << 1485533551.13155079 Poisson (326.01286s) stopped
T00 >> 1485533551.13162041 Hartree integrate/restrict (9.82183s) started
T00 << 1485533551.22871089 Hartree integrate/restrict (9.91892s) stopped
T00 >> 1485533551.22876883 Hartree integrate/restrict (9.91895s) started
T00 << 1485533551.95495605 Hartree integrate/restrict (10.64513s) stopped
T00 >> 1485533551.95499253 Calculate atomic Hamiltonians (3.05769s) started
T00 << 1485533552.20551395 Calculate atomic Hamiltonians (3.30821s) stopped
T00 >> 1485533552.20555329 Atomic (83.77116s) started
T00 >> 1485533552.22175980 XC Correction (83.46530s) started
T00 << 1485533559.16429448 XC Correction (90.40783s) stopped
T00 << 1485533559.17372513 Atomic (90.73933s) stopped
T00 >> 1485533559.17388082 Communicate (0.21638s) started
T00 << 1485533559.19083476 Communicate (0.23333s) stopped
T00 << 1485533559.19084907 Hamiltonian (929.20211s) stopped
T00 >> 1485533559.19092393 LCAO eigensolver (2576.57147s) started
T00 >> 1485533559.19093847 Potential matrix (5.00423s) started
T00 << 1485533559.57574534 Potential matrix (5.38904s) stopped
T00 >> 1485533559.57582498 ScipyAtomicCorrection (3.21461s) started
T00 << 1485533559.81046581 ScipyAtomicCorrection (3.44925s) stopped
T00 >> 1485533559.81051207 Distribute overlap matrix (516.95935s) started
T00 >> 1485533559.81053996 blocked summation (510.36641s) started
T00 << 1485533599.26768541 blocked summation (549.82355s) stopped
T00 >> 1485533599.26781130 Scalapack redistribute (6.59115s) started
T00 << 1485533599.77186489 Scalapack redistribute (7.09520s) stopped
T00 << 1485533599.77192235 Distribute overlap matrix (556.92076s) stopped
T00 >> 1485533599.79046941 Blacs Orbital Layouts (2048.79709s) started
T00 >> 1485533599.79053450 General diagonalize (2046.63561s) started
T00 << 1485533757.70113802 General diagonalize (2204.54621s) stopped
T00 >> 1485533757.70123267 Redistribute coefs (1.17500s) started
T00 << 1485533757.78970623 Redistribute coefs (1.26347s) stopped
T00 >> 1485533757.78974032 Send coefs to domains (0.97662s) started
T00 << 1485533757.85925889 Send coefs to domains (1.04613s) stopped
T00 << 1485533757.85976672 Blacs Orbital Layouts (2206.86638s) stopped
T00 >> 1485533757.85988212 Calculate projections (2.34874s) started
T00 << 1485533758.04013228 Calculate projections (2.52899s) stopped
T00 << 1485533758.04052877 LCAO eigensolver (2775.42107s) stopped
T00 >> 1485533758.04463077 Density (767.66801s) started
T00 >> 1485533758.04464459 Pseudo density (301.11388s) started
T00 >> 1485533758.05098128 Calculate density matrix (284.99450s) started
T00 << 1485533779.95709419 Calculate density matrix (306.90061s) stopped
T00 >> 1485533779.95721436 Construct density (6.02170s) started
T00 << 1485533780.42018962 Construct density (6.48468s) stopped
T00 >> 1485533781.17604542 Symmetrize density (0.00097s) started
T00 << 1485533781.17610240 Symmetrize density (0.00103s) stopped
T00 << 1485533781.18606210 Pseudo density (324.25529s) stopped
T00 >> 1485533781.18609285 Atomic density matrices (451.91495s) started
T00 << 1485533816.26657534 Atomic density matrices (486.99543s) stopped
T00 >> 1485533816.26662016 Multipole moments (0.28679s) started
T00 << 1485533816.28807187 Multipole moments (0.30824s) stopped
T00 >> 1485533816.28809500 Normalize (0.35062s) started
T00 << 1485533816.31500101 Normalize (0.37752s) stopped
T00 >> 1485533816.31504989 Mix (14.00091s) started
T00 << 1485533817.44607830 Mix (15.13194s) stopped
T00 << 1485533817.44612145 Density (827.06950s) stopped
T00 >> 1485533817.44615006 Hamiltonian (929.20211s) started
T00 >> 1485533817.44616556 vbar (0.84038s) started
T00 << 1485533817.51098299 vbar (0.90519s) stopped
T00 >> 1485533817.51104808 XC 3D grid (497.41945s) started
T00 >> 1485533818.61354113 van der Waals (471.16974s) started
T00 >> 1485533818.81837368 semilocal (53.81215s) started
T00 << 1485533822.96161604 semilocal (57.95539s) stopped
T00 << 1485533854.95044565 van der Waals (507.50664s) stopped
T00 << 1485533855.86170983 XC 3D grid (535.77011s) stopped
T00 >> 1485533855.86175036 Poisson (326.01291s) started
T00 << 1485533881.34754324 Poisson (351.49870s) stopped
T00 >> 1485533881.34761262 Hartree integrate/restrict (10.64516s) started
T00 << 1485533881.44426799 Hartree integrate/restrict (10.74181s) stopped
T00 >> 1485533881.44434166 Hartree integrate/restrict (10.74184s) started
T00 << 1485533882.16538620 Hartree integrate/restrict (11.46288s) stopped
T00 >> 1485533882.16544724 Calculate atomic Hamiltonians (3.30824s) started
T00 << 1485533882.42276073 Calculate atomic Hamiltonians (3.56555s) stopped
T00 >> 1485533882.42279887 Atomic (90.73935s) started
T00 >> 1485533882.43888402 XC Correction (90.40785s) started
T00 << 1485533889.41954136 XC Correction (97.38851s) stopped
T00 << 1485533889.42909408 Atomic (97.74564s) stopped
T00 >> 1485533889.42923760 Communicate (0.23334s) started
T00 << 1485533889.44648600 Communicate (0.25059s) stopped
T00 << 1485533889.44650149 Hamiltonian (1001.20247s) stopped
T00 >> 1485533889.44657588 LCAO eigensolver (2775.42109s) started
T00 >> 1485533889.44659066 Potential matrix (5.38908s) started
T00 << 1485533889.83127618 Potential matrix (5.77376s) stopped
T00 >> 1485533889.83134985 ScipyAtomicCorrection (3.44929s) started
T00 << 1485533890.06554317 ScipyAtomicCorrection (3.68348s) stopped
T00 >> 1485533890.06558752 Distribute overlap matrix (556.92077s) started
T00 >> 1485533890.06561589 blocked summation (549.82361s) started
T00 << 1485533929.55449080 blocked summation (589.31248s) stopped
T00 >> 1485533929.55464292 Scalapack redistribute (7.09524s) started
T00 << 1485533930.06449151 Scalapack redistribute (7.60509s) stopped
T00 << 1485533930.06455064 Distribute overlap matrix (596.91973s) stopped
T00 >> 1485533930.08301139 Blacs Orbital Layouts (2206.86649s) started
T00 >> 1485533930.08307743 General diagonalize (2204.54629s) started
T00 << 1485534088.13361025 General diagonalize (2362.59682s) stopped
T00 >> 1485534088.13370562 Redistribute coefs (1.26350s) started
T00 << 1485534088.22252488 Redistribute coefs (1.35232s) stopped
T00 >> 1485534088.22256351 Send coefs to domains (1.04617s) started
T00 << 1485534088.27393627 Send coefs to domains (1.09754s) stopped
T00 << 1485534088.27463388 Blacs Orbital Layouts (2365.05812s) stopped
T00 >> 1485534088.27466083 Calculate projections (2.52902s) started
T00 << 1485534088.45252657 Calculate projections (2.70689s) stopped
T00 << 1485534088.45293689 LCAO eigensolver (2974.42745s) stopped
T00 << 1485534088.47546840 SCF-cycle (4802.81233s) stopped